*HEADER TOXIN 25-JUN-01 1JGK *TITLE SOLUTION STRUCTURE OF CANDOXIN *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CANDOXIN; *COMPND 3 CHAIN: A *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: BUNGARUS CANDIDUS; *SOURCE 3 ORGANISM_COMMON: MALAYAN KRAIT; *SOURCE 4 OTHER_DETAILS: SNAKE VENOM PROTEIN *KEYWDS BETA SHEET, SNAKE VENOM PROTEIN, BUNGARUS CANDIDUS *EXPDTA NMR, 19 STRUCTURES *AUTHOR R.P.VENKITAKRISHNAN, K.V.R.CHARY, M.R.KINI, G.GOVIL *REVDAT 1 28-DEC-01 1JGK 0 !distance and nOe constraints ! assign (resid 2 and name HA )(resid 18 and name HA ) 2.7 0.9 0.5 assign (resid 4 and name HA )(resid 16 and name HA ) 2.7 0.9 0.5 assign (resid 6 and name HA )(resid 11 and name HA ) 5.0 3.2 0.5 assign (resid 25 and name HA )(resid 61 and name HA ) 3.1 1.3 0.5 assign (resid 3 and name HA )(resid 64 and name HA ) 4.0 2.2 0.5 assign (resid 26 and name HA )(resid 43 and name HA ) 2.7 0.9 0.2 assign (resid 27 and name HA )(resid 59 and name HA ) 2.7 0.9 0.2 assign (resid 28 and name HA )(resid 41 and name HA ) 3.0 1.2 0.2 assign (resid 29 and name HA )(resid 57 and name HA ) 2.7 0.9 0.2 assign (resid 30 and name HA )(resid 39 and name HA ) 2.7 0.9 0.2 assign (resid 31 and name HA )(resid 55 and name HA ) 2.7 0.9 0.2 assign (resid 32 and name HA )(resid 37 and name HA ) 2.7 0.9 0.2 ! assign (resid 3 and name O )(resid 17 and name HN ) 1.9 0.1 0.1 assign (resid 5 and name O )(resid 15 and name HN ) 1.9 0.1 0.1 assign (resid 25 and name O )(resid 44 and name HN ) 1.9 0.1 0.1 assign (resid 26 and name O )(resid 60 and name HN ) 1.9 0.1 0.1 assign (resid 28 and name O )(resid 58 and name HN ) 1.9 0.1 0.1 assign (resid 29 and name O )(resid 40 and name HN ) 1.9 0.1 0.1 assign (resid 30 and name O )(resid 56 and name HN ) 1.9 0.1 0.1 assign (resid 31 and name O )(resid 38 and name HN ) 1.9 0.1 0.1 ! assign (resid 3 and name O )(resid 17 and name N ) 2.9 0.2 0.1 assign (resid 5 and name O )(resid 15 and name N ) 2.9 0.2 0.1 assign (resid 25 and name O )(resid 44 and name N ) 2.9 0.2 0.1 assign (resid 26 and name O )(resid 60 and name N ) 2.9 0.2 0.1 assign (resid 28 and name O )(resid 58 and name N ) 2.9 0.2 0.1 assign (resid 29 and name O )(resid 40 and name N ) 2.9 0.2 0.1 assign (resid 30 and name O )(resid 56 and name N ) 2.9 0.2 0.1 assign (resid 31 and name O )(resid 38 and name N ) 2.9 0.2 0.1 ! assign (resid 3 and name HN )(resid 17 and name O ) 1.9 0.1 0.1 assign (resid 5 and name HN )(resid 15 and name O ) 1.9 0.1 0.1 assign (resid 25 and name HN )(resid 44 and name O ) 1.9 0.1 0.1 assign (resid 26 and name HN )(resid 60 and name O ) 1.9 0.1 0.1 assign (resid 28 and name HN )(resid 58 and name O ) 1.9 0.1 0.1 assign (resid 29 and name HN )(resid 40 and name O ) 1.9 0.1 0.1 assign (resid 30 and name HN )(resid 56 and name O ) 1.9 0.1 0.1 assign (resid 31 and name HN )(resid 38 and name O ) 1.9 0.1 0.1 ! assign (resid 3 and name N )(resid 17 and name O ) 2.9 0.2 0.1 assign (resid 5 and name N )(resid 15 and name O ) 2.9 0.2 0.1 assign (resid 25 and name N )(resid 44 and name O ) 2.9 0.2 0.1 assign (resid 26 and name N )(resid 60 and name O ) 2.9 0.2 0.1 assign (resid 28 and name N )(resid 58 and name O ) 2.9 0.2 0.1 assign (resid 29 and name N )(resid 40 and name O ) 2.9 0.2 0.1 assign (resid 30 and name N )(resid 56 and name O ) 2.9 0.2 0.1 assign (resid 31 and name N )(resid 38 and name O ) 2.9 0.2 0.1 ! assign (resid 3 and name HN )(resid 17 and name HN ) 3.2 1.4 0.5 assign (resid 5 and name HN )(resid 15 and name HN ) 3.2 1.4 0.5 assign (resid 10 and name HN )(resid 11 and name HN ) 4.5 2.7 0.5 assign (resid 11 and name HN )(resid 12 and name HN ) 4.5 2.7 0.5 assign (resid 12 and name HN )(resid 13 and name HN ) 4.5 2.7 0.5 assign (resid 13 and name HN )(resid 14 and name HN ) 4.5 2.7 0.5 assign (resid 14 and name HN )(resid 15 and name HN ) 3.1 1.3 0.5 assign (resid 19 and name HN )(resid 20 and name HN ) 4.5 2.7 0.5 assign (resid 19 and name HN )(resid 21 and name HN ) 4.5 2.7 0.5 assign (resid 21 and name HN )(resid 22 and name HN ) 4.5 2.7 0.5 assign (resid 22 and name HN )(resid 23 and name HN ) 2.7 0.9 0.5 assign (resid 25 and name HN )(resid 44 and name HN ) 3.2 1.4 0.5 assign (resid 26 and name HN )(resid 60 and name HN ) 3.2 1.4 0.5 assign (resid 28 and name HN )(resid 58 and name HN ) 3.2 1.4 0.5 assign (resid 29 and name HN )(resid 40 and name HN ) 3.2 1.4 0.5 assign (resid 30 and name HN )(resid 56 and name HN ) 3.2 1.4 0.5 assign (resid 31 and name HN )(resid 38 and name HN ) 3.2 1.4 0.5 assign (resid 32 and name HN )(resid 54 and name HN ) 4.5 2.7 0.5 assign (resid 33 and name HN )(resid 34 and name HN ) 4.5 2.7 0.5 assign (resid 34 and name HN )(resid 35 and name HN ) 4.5 2.7 0.5 assign (resid 35 and name HN )(resid 36 and name HN ) 3.1 1.3 0.5 assign (resid 42 and name HN )(resid 43 and name HN ) 5.0 3.2 0.5 assign (resid 51 and name HN )(resid 54 and name HN ) 2.3 0.5 0.5 assign (resid 52 and name HN )(resid 53 and name HN ) 4.5 2.7 0.5 assign (resid 53 and name HN )(resid 54 and name HN ) 4.5 2.7 0.5 assign (resid 54 and name HN )(resid 55 and name HN ) 5.0 3.2 0.5 ! assign (resid 3 and name SG )(resid 26 and name SG ) 2.1 0.2 0.2 assign (resid 6 and name SG )(resid 11 and name SG ) 2.1 0.2 0.2 assign (resid 19 and name SG )(resid 43 and name SG ) 2.1 0.2 0.2 assign (resid 47 and name SG )(resid 59 and name SG ) 2.1 0.2 0.2 assign (resid 60 and name SG )(resid 65 and name SG ) 2.1 0.2 0.2 ! assign (resid 7 and name O )(resid 10 and name HN ) 3.4 1.6 0.2 assign (resid 7 and name O )(resid 10 and name N ) 4.4 2.6 0.2 assign (resid 8 and name CA )(resid 10 and name HN ) 3.3 1.5 0.5 assign (resid 8 and name CA )(resid 9 and name HN ) 2.2 0.4 0.5 assign (resid 9 and name N )(resid 10 and name HN ) 3.4 1.4 0.5 assign (resid 13 and name CA )(resid 15 and name HN ) 3.6 1.8 0.5 assign (resid 13 and name CA )(resid 14 and name HN ) 2.2 0.4 0.5 assign (resid 14 and name N )(resid 15 and name HN ) 3.4 1.4 0.5 assign (resid 34 and name HN )(resid 35 and name HN ) 2.6 0.8 0.5 assign (resid 34 and name CA )(resid 36 and name HN ) 5.0 3.2 0.5 assign (resid 35 and name HN )(resid 36 and name HN ) 2.4 0.6 0.5 assign (resid 45 and name CA )(resid 47 and name HN ) 5.0 3.2 0.5 assign (resid 45 and name CA )(resid 46 and name HN ) 2.2 0.4 0.5 assign (resid 46 and name N )(resid 47 and name HN ) 3.4 1.4 0.5 assign (resid 64 and name HN )(resid 65 and name HN ) 5.0 0.8 0.5 assign (resid 64 and name CA )(resid 66 and name HN ) 3.6 1.8 0.5 assign (resid 65 and name HN )(resid 66 and name HN ) 2.4 0.6 0.5 ! assign (resid 2 and name HN )(resid 1 and name HA ) 2.7 0.9 0.5 assign (resid 2 and name HN )(resid 1 and name HB2 ) 4.5 2.7 0.5 assign (resid 2 and name HN )(resid 1 and name HB1 ) 4.5 2.7 0.5 assign (resid 2 and name HN )(resid 1 and name HG* ) 4.5 2.7 0.5 assign (resid 2 and name HN )(resid 2 and name HA ) 4.5 2.7 0.5 assign (resid 2 and name HN )(resid 2 and name HB2 ) 4.5 2.7 0.5 assign (resid 2 and name HN )(resid 2 and name HB1 ) 4.5 2.7 0.5 assign (resid 2 and name HN )(resid 66 and name HB2 ) 4.5 2.7 0.5 assign (resid 2 and name HN )(resid 66 and name HB1 ) 4.5 2.7 0.5 assign (resid 2 and name HN )(resid 66 and name HB* ) 4.5 2.7 0.5 assign (resid 2 and name HN )(resid 66 and name HD2* ) 3.1 1.3 0.5 assign (resid 3 and name HN )(resid 2 and name HA ) 2.3 0.5 0.5 assign (resid 3 and name HN )(resid 2 and name HB2 ) 3.1 1.3 0.5 assign (resid 3 and name HN )(resid 2 and name HB1 ) 3.1 1.3 0.5 assign (resid 3 and name HN )(resid 2 and name HG* ) 4.5 2.7 0.5 assign (resid 3 and name HN )(resid 3 and name HA ) 4.5 2.7 0.5 assign (resid 3 and name HN )(resid 3 and name HB* ) 4.5 2.7 0.5 assign (resid 3 and name HN )(resid 16 and name HA ) 5.5 3.7 0.5 assign (resid 3 and name HN )(resid 18 and name HA ) 4.5 2.7 0.5 assign (resid 3 and name HN )(resid 18 and name HG# ) 5.5 3.7 0.5 assign (resid 4 and name HN )(resid 3 and name HA ) 2.3 0.5 0.5 assign (resid 4 and name HN )(resid 3 and name HB2 ) 4.0 2.2 0.5 assign (resid 4 and name HN )(resid 3 and name HB1 ) 4.5 2.7 0.5 assign (resid 4 and name HN )(resid 4 and name HA ) 3.1 1.3 0.5 assign (resid 4 and name HN )(resid 4 and name HB2 ) 4.5 2.7 0.5 assign (resid 4 and name HN )(resid 4 and name HB1 ) 3.1 1.3 0.5 assign (resid 4 and name HN )(resid 4 and name HG2 ) 4.5 2.7 0.5 assign (resid 4 and name HN )(resid 4 and name HG1 ) 4.5 2.7 0.5 assign (resid 4 and name HN )(resid 16 and name HB* ) 4.5 2.7 0.5 assign (resid 4 and name HN )(resid 16 and name HD# ) 4.5 2.7 0.5 assign (resid 4 and name HN )(resid 64 and name HA ) 4.5 2.7 0.5 assign (resid 5 and name HN )(resid 4 and name HA ) 2.3 0.5 0.5 assign (resid 5 and name HN )(resid 5 and name HA ) 3.1 1.3 0.5 assign (resid 5 and name HN )(resid 5 and name HB ) 3.1 1.3 0.5 assign (resid 6 and name HN )(resid 5 and name HA ) 2.3 0.5 0.5 assign (resid 6 and name HN )(resid 6 and name HA ) 4.5 2.7 0.5 assign (resid 6 and name HN )(resid 6 and name HB2 ) 4.5 2.7 0.5 assign (resid 6 and name HN )(resid 6 and name HB1 ) 4.5 2.7 0.5 assign (resid 7 and name HN )(resid 6 and name HA ) 3.1 1.3 0.5 assign (resid 7 and name HN )(resid 7 and name HA ) 4.5 2.7 0.5 assign (resid 7 and name HN )(resid 7 and name HB2 ) 4.5 2.7 0.5 assign (resid 7 and name HN )(resid 7 and name HB1 ) 4.5 2.7 0.5 assign (resid 8 and name HN )(resid 7 and name HA ) 4.5 2.7 0.5 assign (resid 8 and name HN )(resid 7 and name HB2 ) 4.5 2.7 0.5 assign (resid 8 and name HN )(resid 7 and name HB1 ) 4.5 2.7 0.5 assign (resid 8 and name HN )(resid 8 and name HB* ) 4.5 2.7 0.5 assign (resid 9 and name HN )(resid 8 and name HA ) 4.5 2.7 0.5 assign (resid 9 and name HN )(resid 9 and name HA ) 3.1 1.3 0.5 assign (resid 9 and name HN )(resid 9 and name HB* ) 3.3 1.5 0.5 assign (resid 10 and name HN )(resid 9 and name HA ) 4.5 2.7 0.5 assign (resid 10 and name HN )(resid 9 and name HB2 ) 4.5 2.7 0.5 assign (resid 10 and name HN )(resid 9 and name HB1 ) 4.5 2.7 0.5 assign (resid 10 and name HN )(resid 10 and name HA ) 4.5 2.7 0.5 assign (resid 10 and name HN )(resid 10 and name HB ) 3.1 1.3 0.5 assign (resid 10 and name HN )(resid 10 and name HG2* ) 3.1 1.3 0.5 assign (resid 11 and name HN )(resid 10 and name HA ) 3.0 1.2 0.5 assign (resid 11 and name HN )(resid 10 and name HB ) 4.5 2.7 0.5 assign (resid 11 and name HN )(resid 10 and name HG2* ) 4.5 2.7 0.5 assign (resid 11 and name HN )(resid 11 and name HA ) 2.9 1.1 0.5 assign (resid 11 and name HN )(resid 11 and name HB* ) 4.5 2.7 0.5 assign (resid 12 and name HN )(resid 11 and name HA ) 2.3 0.5 0.5 assign (resid 12 and name HN )(resid 11 and name HB2 ) 4.5 2.7 0.5 assign (resid 12 and name HN )(resid 11 and name HB1 ) 4.5 2.7 0.5 assign (resid 12 and name HN )(resid 12 and name HA ) 3.1 1.3 0.5 assign (resid 12 and name HN )(resid 12 and name HB* ) 4.5 2.7 0.5 assign (resid 12 and name HN )(resid 12 and name HG* ) 3.1 1.3 0.5 assign (resid 13 and name HN )(resid 12 and name HA ) 2.9 1.1 0.5 assign (resid 13 and name HN )(resid 12 and name HB1 ) 3.5 1.7 0.5 assign (resid 13 and name HN )(resid 12 and name HB2 ) 3.5 1.7 0.5 assign (resid 13 and name HN )(resid 13 and name HA ) 3.1 1.3 0.5 assign (resid 13 and name HN )(resid 13 and name HB* ) 3.1 1.3 0.5 assign (resid 14 and name HN )(resid 13 and name HA ) 3.1 1.3 0.5 assign (resid 14 and name HN )(resid 13 and name HB* ) 4.5 2.7 0.5 assign (resid 14 and name HN )(resid 14 and name HA2 ) 3.1 1.3 0.5 assign (resid 14 and name HN )(resid 14 and name HA1 ) 3.1 1.3 0.5 assign (resid 15 and name HN )(resid 13 and name HA ) 4.5 2.7 0.5 assign (resid 15 and name HN )(resid 14 and name HA2 ) 4.5 2.7 0.5 assign (resid 15 and name HN )(resid 14 and name HA1 ) 4.5 2.7 0.5 assign (resid 15 and name HN )(resid 15 and name HA ) 3.1 1.3 0.5 assign (resid 15 and name HN )(resid 15 and name HB2 ) 4.5 2.7 0.5 assign (resid 15 and name HN )(resid 15 and name HB1 ) 4.5 2.7 0.5 assign (resid 15 and name HN )(resid 15 and name HG* ) 4.5 2.7 0.5 assign (resid 16 and name HN )(resid 15 and name HA ) 2.3 0.5 0.5 assign (resid 16 and name HN )(resid 15 and name HB2 ) 4.5 2.7 0.5 assign (resid 16 and name HN )(resid 15 and name HB1 ) 4.5 2.7 0.5 assign (resid 16 and name HN )(resid 15 and name HG* ) 4.5 2.7 0.5 assign (resid 16 and name HN )(resid 16 and name HA ) 2.9 1.1 0.5 assign (resid 16 and name HN )(resid 16 and name HB2 ) 4.5 2.7 0.5 assign (resid 16 and name HN )(resid 16 and name HB1 ) 4.5 2.7 0.5 assign (resid 16 and name HN )(resid 16 and name HD1* ) 5.0 3.2 0.5 assign (resid 16 and name HN )(resid 16 and name HD2* ) 5.0 3.2 0.5 assign (resid 17 and name HN )(resid 4 and name HA ) 4.5 2.7 0.5 assign (resid 17 and name HN )(resid 16 and name HA ) 3.1 1.3 0.5 assign (resid 17 and name HN )(resid 16 and name HB2 ) 4.5 2.7 0.5 assign (resid 17 and name HN )(resid 16 and name HB1 ) 4.5 2.7 0.5 assign (resid 17 and name HN )(resid 16 and name HD# ) 4.5 2.7 0.5 assign (resid 17 and name HN )(resid 17 and name HA ) 3.1 1.3 0.5 assign (resid 17 and name HN )(resid 17 and name HB2 ) 4.5 2.7 0.5 assign (resid 17 and name HN )(resid 17 and name HB1 ) 4.5 2.7 0.5 assign (resid 17 and name HN )(resid 18 and name HG# ) 5.5 3.7 0.5 assign (resid 18 and name HN )(resid 17 and name HA ) 2.7 0.9 0.5 assign (resid 18 and name HN )(resid 17 and name HB2 ) 4.5 2.7 0.5 assign (resid 18 and name HN )(resid 17 and name HB1 ) 4.5 2.7 0.5 assign (resid 18 and name HN )(resid 18 and name HA ) 3.1 1.3 0.5 assign (resid 18 and name HN )(resid 18 and name HB ) 3.1 1.3 0.5 assign (resid 18 and name HN )(resid 18 and name HG1* ) 4.5 2.7 0.5 assign (resid 18 and name HN )(resid 18 and name HG2* ) 4.5 2.7 0.5 assign (resid 19 and name HN )(resid 2 and name HA ) 4.5 2.7 0.5 assign (resid 19 and name HN )(resid 2 and name HG2 ) 5.5 3.7 0.5 assign (resid 19 and name HN )(resid 2 and name HG1 ) 5.5 3.7 0.5 assign (resid 19 and name HN )(resid 18 and name HB ) 4.5 2.7 0.5 assign (resid 19 and name HN )(resid 18 and name HG1* ) 4.5 2.7 0.5 assign (resid 19 and name HN )(resid 18 and name HG2* ) 4.5 2.7 0.5 assign (resid 19 and name HN )(resid 18 and name HA ) 2.9 1.1 0.5 assign (resid 19 and name HN )(resid 19 and name HA ) 3.1 1.3 0.5 assign (resid 19 and name HN )(resid 19 and name HB* ) 3.3 1.5 0.5 assign (resid 20 and name HN )(resid 19 and name HA ) 3.1 1.3 0.5 assign (resid 20 and name HN )(resid 19 and name HB2 ) 4.5 2.7 0.5 assign (resid 20 and name HN )(resid 19 and name HB1 ) 4.5 2.7 0.5 assign (resid 20 and name HN )(resid 20 and name HA ) 3.3 1.5 0.5 assign (resid 20 and name HN )(resid 20 and name HB* ) 3.5 1.7 0.5 assign (resid 21 and name HN )(resid 20 and name HA ) 3.1 1.3 0.5 assign (resid 21 and name HN )(resid 20 and name HB* ) 4.5 2.7 0.5 assign (resid 21 and name HN )(resid 21 and name HA ) 4.5 2.7 0.5 assign (resid 21 and name HN )(resid 21 and name HB* ) 3.5 1.7 0.5 assign (resid 21 and name HN )(resid 24 and name HG2 ) 5.5 3.7 0.5 assign (resid 21 and name HN )(resid 24 and name HG1 ) 5.5 3.7 0.5 assign (resid 22 and name HN )(resid 21 and name HA ) 3.1 1.3 0.5 assign (resid 22 and name HN )(resid 21 and name HB* ) 4.5 2.7 0.5 assign (resid 22 and name HN )(resid 22 and name HA2 ) 2.5 0.7 0.5 assign (resid 22 and name HN )(resid 22 and name HA1 ) 2.5 0.7 0.5 assign (resid 23 and name HN )(resid 22 and name HA2 ) 4.5 2.7 0.5 assign (resid 23 and name HN )(resid 22 and name HA1 ) 4.5 2.7 0.5 assign (resid 23 and name HN )(resid 23 and name HA ) 3.1 1.3 0.5 assign (resid 24 and name HN )(resid 23 and name HA ) 4.5 2.7 0.5 assign (resid 24 and name HN )(resid 24 and name HA ) 3.1 1.3 0.5 assign (resid 24 and name HN )(resid 24 and name HB* ) 4.5 2.7 0.5 assign (resid 24 and name HN )(resid 24 and name HG2 ) 4.5 2.7 0.5 assign (resid 24 and name HN )(resid 24 and name HG1 ) 4.5 2.7 0.5 assign (resid 25 and name HN )(resid 24 and name HA ) 3.1 1.3 0.5 assign (resid 25 and name HN )(resid 24 and name HG* ) 4.5 2.7 0.5 assign (resid 25 and name HN )(resid 25 and name HA ) 4.5 2.7 0.5 assign (resid 25 and name HN )(resid 25 and name HB2 ) 4.5 2.7 0.5 assign (resid 25 and name HN )(resid 25 and name HB1 ) 3.1 1.3 0.5 assign (resid 26 and name HN )(resid 25 and name HA ) 2.3 0.5 0.5 assign (resid 26 and name HN )(resid 25 and name HB2 ) 4.5 2.7 0.5 assign (resid 26 and name HN )(resid 26 and name HA ) 4.5 2.7 0.5 assign (resid 26 and name HN )(resid 26 and name HB* ) 3.1 1.3 0.5 assign (resid 27 and name HN )(resid 26 and name HA ) 2.3 0.5 0.5 assign (resid 27 and name HN )(resid 26 and name HB* ) 4.5 2.7 0.5 assign (resid 27 and name HN )(resid 27 and name HA ) 4.5 2.7 0.5 assign (resid 27 and name HN )(resid 27 and name HB* ) 4.5 2.7 0.5 assign (resid 27 and name HN )(resid 43 and name HA ) 4.5 2.7 0.5 assign (resid 28 and name HN )(resid 27 and name HA ) 2.3 0.5 0.5 assign (resid 28 and name HN )(resid 27 and name HB2 ) 4.5 2.7 0.5 assign (resid 28 and name HN )(resid 27 and name HB1 ) 4.5 2.7 0.5 assign (resid 28 and name HN )(resid 28 and name HA ) 4.5 2.7 0.5 assign (resid 28 and name HN )(resid 28 and name HB* ) 3.1 1.3 0.5 assign (resid 28 and name HN )(resid 59 and name HA ) 4.5 2.7 0.5 assign (resid 29 and name HN )(resid 28 and name HA ) 2.3 0.5 0.5 assign (resid 29 and name HN )(resid 28 and name HB2 ) 4.5 2.7 0.5 assign (resid 29 and name HN )(resid 28 and name HB1 ) 4.5 2.7 0.5 assign (resid 29 and name HN )(resid 28 and name HG* ) 4.5 2.7 0.5 assign (resid 29 and name HN )(resid 29 and name HA ) 4.5 2.7 0.5 assign (resid 29 and name HN )(resid 29 and name HB* ) 3.1 1.3 0.5 assign (resid 29 and name HN )(resid 39 and name HG1* ) 5.5 3.7 0.5 assign (resid 30 and name HN )(resid 29 and name HA ) 2.3 0.5 0.5 assign (resid 30 and name HN )(resid 29 and name HB* ) 4.5 2.7 0.5 assign (resid 30 and name HN )(resid 30 and name HA ) 4.5 2.7 0.5 assign (resid 30 and name HN )(resid 30 and name HB2 ) 4.5 2.7 0.5 assign (resid 30 and name HN )(resid 30 and name HB1 ) 4.5 2.7 0.5 assign (resid 30 and name HN )(resid 56 and name HB2 ) 5.5 3.7 0.5 assign (resid 30 and name HN )(resid 56 and name HB1 ) 5.5 3.7 0.5 assign (resid 30 and name HN )(resid 57 and name HA ) 4.5 2.7 0.5 assign (resid 31 and name HN )(resid 30 and name HA ) 2.3 0.5 0.5 assign (resid 31 and name HN )(resid 30 and name HB2 ) 4.5 2.7 0.5 assign (resid 31 and name HN )(resid 30 and name HB1 ) 4.5 2.7 0.5 assign (resid 31 and name HN )(resid 31 and name HA ) 4.5 2.7 0.5 assign (resid 31 and name HN )(resid 31 and name HB2 ) 4.5 2.7 0.5 assign (resid 31 and name HN )(resid 31 and name HB1 ) 4.5 2.7 0.5 assign (resid 31 and name HN )(resid 39 and name HA ) 4.5 2.7 0.5 assign (resid 32 and name HN )(resid 31 and name HA ) 2.3 0.5 0.5 assign (resid 32 and name HN )(resid 31 and name HB2 ) 4.5 2.7 0.5 assign (resid 32 and name HN )(resid 31 and name HB1 ) 4.5 2.7 0.5 assign (resid 32 and name HN )(resid 32 and name HA ) 4.5 2.7 0.5 assign (resid 32 and name HN )(resid 32 and name HB2 ) 4.5 2.7 0.5 assign (resid 32 and name HN )(resid 32 and name HB1 ) 4.5 2.7 0.5 assign (resid 32 and name HN )(resid 55 and name HA ) 4.5 2.7 0.5 assign (resid 33 and name HN )(resid 32 and name HA ) 3.1 1.3 0.5 assign (resid 33 and name HN )(resid 33 and name HA ) 3.5 1.7 0.5 assign (resid 33 and name HN )(resid 33 and name HB2 ) 4.5 2.7 0.5 assign (resid 33 and name HN )(resid 33 and name HB1 ) 4.5 2.7 0.5 assign (resid 33 and name HN )(resid 33 and name HG2 ) 4.5 2.7 0.5 assign (resid 33 and name HN )(resid 33 and name HG1 ) 4.5 2.7 0.5 assign (resid 33 and name HN )(resid 37 and name HA ) 4.5 2.7 0.5 assign (resid 33 and name HN )(resid 37 and name HB ) 5.0 3.2 0.5 assign (resid 33 and name HN )(resid 37 and name HG2* ) 5.0 3.2 0.5 assign (resid 34 and name HN )(resid 33 and name HA ) 3.1 1.3 0.5 assign (resid 34 and name HN )(resid 33 and name HB2 ) 4.0 2.2 0.5 assign (resid 34 and name HN )(resid 33 and name HB1 ) 4.0 2.2 0.5 assign (resid 34 and name HN )(resid 33 and name HG* ) 4.5 2.7 0.5 assign (resid 34 and name HN )(resid 34 and name HA ) 3.1 1.3 0.5 assign (resid 34 and name HN )(resid 34 and name HB* ) 4.5 2.7 0.5 assign (resid 35 and name HN )(resid 33 and name HA ) 4.5 2.7 0.5 assign (resid 35 and name HN )(resid 33 and name HB1 ) 4.0 2.2 0.5 assign (resid 35 and name HN )(resid 33 and name HB2 ) 4.0 2.2 0.5 assign (resid 35 and name HN )(resid 33 and name HG* ) 4.5 2.7 0.5 assign (resid 35 and name HN )(resid 34 and name HA ) 3.1 1.3 0.5 assign (resid 35 and name HN )(resid 34 and name HB* ) 4.5 2.7 0.5 assign (resid 35 and name HN )(resid 35 and name HA ) 3.1 1.3 0.5 assign (resid 35 and name HN )(resid 35 and name HB2 ) 3.1 1.3 0.5 assign (resid 35 and name HN )(resid 35 and name HB1 ) 3.1 1.3 0.5 assign (resid 35 and name HN )(resid 35 and name HG* ) 4.5 2.7 0.5 assign (resid 36 and name HN )(resid 35 and name HA ) 3.1 1.3 0.5 assign (resid 36 and name HN )(resid 35 and name HB* ) 4.5 2.7 0.5 assign (resid 36 and name HN )(resid 36 and name HA2 ) 4.5 2.7 0.5 assign (resid 36 and name HN )(resid 36 and name HA1 ) 4.5 2.7 0.5 assign (resid 37 and name HN )(resid 36 and name HA2 ) 3.0 1.2 0.5 assign (resid 37 and name HN )(resid 36 and name HA1 ) 3.0 1.2 0.5 assign (resid 37 and name HN )(resid 37 and name HA ) 4.5 2.7 0.5 assign (resid 37 and name HN )(resid 37 and name HB ) 4.5 2.7 0.5 assign (resid 37 and name HN )(resid 37 and name HG2* ) 4.5 2.7 0.5 assign (resid 38 and name HN )(resid 31 and name HB2 ) 5.5 3.7 0.5 assign (resid 38 and name HN )(resid 31 and name HB1 ) 5.5 3.7 0.5 assign (resid 38 and name HN )(resid 32 and name HA ) 4.5 2.7 0.5 assign (resid 38 and name HN )(resid 37 and name HA ) 2.3 0.5 0.5 assign (resid 38 and name HN )(resid 37 and name HB ) 4.0 2.2 0.5 assign (resid 38 and name HN )(resid 37 and name HG2* ) 4.5 2.7 0.5 assign (resid 38 and name HN )(resid 38 and name HA ) 4.5 2.7 0.5 assign (resid 38 and name HN )(resid 38 and name HB* ) 3.1 1.3 0.5 assign (resid 38 and name HN )(resid 38 and name HG* ) 4.5 2.7 0.5 assign (resid 39 and name HN )(resid 7 and name HA ) 4.5 2.7 0.5 assign (resid 39 and name HN )(resid 38 and name HA ) 2.3 0.5 0.5 assign (resid 39 and name HN 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)(resid 41 and name HA ) 3.1 1.3 0.5 assign (resid 41 and name HN )(resid 41 and name HB* ) 4.5 2.7 0.5 assign (resid 42 and name HN )(resid 28 and name HA ) 4.5 2.7 0.5 assign (resid 42 and name HN )(resid 41 and name HA ) 2.3 0.5 0.5 assign (resid 42 and name HN )(resid 41 and name HB* ) 3.1 1.3 0.5 assign (resid 42 and name HN )(resid 41 and name HG* ) 4.5 2.7 0.5 assign (resid 42 and name HN )(resid 42 and name HA2 ) 3.1 1.3 0.5 assign (resid 42 and name HN )(resid 42 and name HA1 ) 3.1 1.3 0.5 assign (resid 43 and name HN )(resid 42 and name HA2 ) 3.1 1.3 0.5 assign (resid 43 and name HN )(resid 42 and name HA1 ) 3.1 1.3 0.5 assign (resid 43 and name HN )(resid 43 and name HA ) 4.5 2.7 0.5 assign (resid 43 and name HN )(resid 43 and name HB2 ) 4.5 2.7 0.5 assign (resid 43 and name HN )(resid 43 and name HB1 ) 4.5 2.7 0.5 assign (resid 44 and name HN )(resid 26 and name HA ) 4.5 2.7 0.5 assign (resid 44 and name HN )(resid 43 and name HA ) 2.3 0.5 0.5 assign (resid 44 and name HN 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)(resid 50 and name HA2 ) 3.1 1.3 0.5 assign (resid 51 and name HN )(resid 50 and name HA1 ) 3.1 1.3 0.5 assign (resid 51 and name HN )(resid 51 and name HA ) 4.5 2.7 0.5 assign (resid 51 and name HN )(resid 51 and name HB2 ) 4.5 2.7 0.5 assign (resid 51 and name HN )(resid 51 and name HB1 ) 4.5 2.7 0.5 assign (resid 52 and name HN )(resid 51 and name HA ) 3.1 1.3 0.5 assign (resid 52 and name HN )(resid 51 and name HB* ) 4.5 2.7 0.5 assign (resid 52 and name HN )(resid 52 and name HA ) 4.5 2.7 0.5 assign (resid 52 and name HN )(resid 52 and name HB ) 3.1 1.3 0.5 assign (resid 52 and name HN )(resid 52 and name HG1* ) 4.5 2.7 0.5 assign (resid 52 and name HN )(resid 52 and name HG2* ) 4.5 2.7 0.5 assign (resid 53 and name HN )(resid 52 and name HA ) 4.5 2.7 0.5 assign (resid 53 and name HN )(resid 52 and name HB ) 3.5 1.7 0.5 assign (resid 53 and name HN )(resid 52 and name HG1* ) 4.5 2.7 0.5 assign (resid 53 and name HN )(resid 52 and name HG2* ) 4.5 2.7 0.5 assign (resid 53 and name HN )(resid 53 and name HA ) 4.5 2.7 0.5 assign (resid 53 and name HN )(resid 53 and name HB2 ) 4.5 2.7 0.5 assign (resid 53 and name HN )(resid 53 and name HB1 ) 4.5 2.7 0.5 assign (resid 54 and name HN )(resid 32 and name HB* ) 4.5 2.7 0.5 assign (resid 54 and name HN )(resid 53 and name HA ) 3.1 1.3 0.5 assign (resid 54 and name HN )(resid 53 and name HB2 ) 4.5 2.7 0.5 assign (resid 54 and name HN )(resid 53 and name HB1 ) 4.5 2.7 0.5 assign (resid 54 and name HN )(resid 54 and name HA2 ) 3.1 1.3 0.5 assign (resid 54 and name HN )(resid 54 and name HA1 ) 3.1 1.3 0.5 assign (resid 54 and name HN )(resid 55 and name HD# ) 5.5 3.7 0.5 assign (resid 55 and name HN )(resid 54 and name HA2 ) 4.5 2.7 0.5 assign (resid 55 and name HN )(resid 54 and name HA1 ) 4.5 2.7 0.5 assign (resid 55 and name HN )(resid 55 and name HA ) 3.1 1.3 0.5 assign (resid 55 and name HN )(resid 55 and name HB* ) 3.1 1.3 0.5 assign (resid 56 and name HN )(resid 31 and name HA ) 4.5 2.7 0.5 assign (resid 56 and name HN )(resid 55 and name HA ) 3.1 1.3 0.5 assign (resid 56 and name HN )(resid 56 and name HA ) 4.5 2.7 0.5 assign (resid 56 and name HN )(resid 56 and name HB2 ) 3.1 1.3 0.5 assign (resid 56 and name HN )(resid 56 and name HB1 ) 3.1 1.3 0.5 assign (resid 57 and name HN )(resid 56 and name HA ) 4.5 2.7 0.5 assign (resid 57 and name HN )(resid 56 and name HB2 ) 4.5 2.7 0.5 assign (resid 57 and name HN )(resid 56 and name HB1 ) 4.5 2.7 0.5 assign (resid 57 and name HN )(resid 57 and name HA ) 4.0 2.2 0.5 assign (resid 57 and name HN )(resid 57 and name HB ) 3.1 1.3 0.5 assign (resid 57 and name HN )(resid 57 and name HG1* ) 4.5 2.7 0.5 assign (resid 57 and name HN )(resid 57 and name HG2* ) 4.5 2.7 0.5 assign (resid 58 and name HN )(resid 29 and name HA ) 4.5 2.7 0.5 assign (resid 58 and name HN )(resid 57 and name HA ) 2.3 0.5 0.5 assign (resid 58 and name HN )(resid 57 and name HG1* ) 4.5 2.7 0.5 assign (resid 58 and name HN )(resid 57 and name HG2* ) 4.5 2.7 0.5 assign (resid 58 and name HN )(resid 58 and name HA ) 4.5 2.7 0.5 assign (resid 58 and name HN )(resid 58 and name HB2 ) 3.1 1.3 0.5 assign (resid 58 and name HN )(resid 58 and name HB1 ) 3.1 1.3 0.5 assign (resid 59 and name HN )(resid 58 and name HA ) 2.3 0.5 0.5 assign (resid 59 and name HN )(resid 58 and name HD# ) 5.5 3.7 0.5 assign (resid 59 and name HN )(resid 59 and name HA ) 4.5 2.7 0.5 assign (resid 59 and name HN )(resid 59 and name HB2 ) 4.5 2.7 0.5 assign (resid 59 and name HN )(resid 59 and name HB1 ) 4.5 2.7 0.5 assign (resid 60 and name HN )(resid 25 and name HB2 ) 4.5 2.7 0.5 assign (resid 60 and name HN )(resid 25 and name HB1 ) 4.5 2.7 0.5 assign (resid 60 and name HN )(resid 27 and name HA ) 4.5 2.7 0.5 assign (resid 60 and name HN )(resid 59 and name HA ) 2.3 0.5 0.5 assign (resid 60 and name HN )(resid 59 and name HB2 ) 4.5 2.7 0.5 assign (resid 60 and name HN )(resid 59 and name HB1 ) 4.5 2.7 0.5 assign (resid 60 and name HN )(resid 60 and name HA ) 3.1 1.3 0.5 assign (resid 60 and 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and name HA )(resid 33 and name HB2 ) 4.5 2.7 0.5 assign (resid 33 and name HA )(resid 33 and name HB1 ) 4.5 2.7 0.5 assign (resid 33 and name HA )(resid 33 and name HG* ) 4.5 2.7 0.5 assign (resid 34 and name HA )(resid 34 and name HB* ) 3.1 1.3 0.5 assign (resid 35 and name HA )(resid 35 and name HB* ) 3.1 1.3 0.5 assign (resid 35 and name HA )(resid 35 and name HG* ) 3.1 1.3 0.5 assign (resid 37 and name HA )(resid 37 and name HB ) 4.5 2.7 0.5 assign (resid 37 and name HA )(resid 37 and name HG2* ) 4.5 2.7 0.5 assign (resid 38 and name HA )(resid 38 and name HB* ) 3.1 1.3 0.5 assign (resid 39 and name HA )(resid 39 and name HB ) 4.0 2.2 0.5 assign (resid 39 and name HA )(resid 39 and name HG2* ) 4.5 2.7 0.5 assign (resid 40 and name HA )(resid 40 and name HB2 ) 3.1 1.3 0.5 assign (resid 40 and name HA )(resid 40 and name HB1 ) 3.1 1.3 0.5 assign (resid 40 and name HA )(resid 40 and name HG2 ) 4.5 2.7 0.5 assign (resid 40 and name HA )(resid 40 and name HG1 ) 4.5 2.7 0.5 assign (resid 41 and name HA )(resid 41 and name HB2 ) 4.5 2.7 0.5 assign (resid 41 and name HA )(resid 41 and name HB1 ) 4.5 2.7 0.5 assign (resid 43 and name HA )(resid 43 and name HB2 ) 4.5 2.7 0.5 assign (resid 43 and name HA )(resid 43 and name HB1 ) 4.5 2.7 0.5 assign (resid 44 and name HA )(resid 44 and name HB* ) 4.5 2.7 0.5 assign (resid 45 and name HA )(resid 45 and name HB* ) 3.1 1.3 0.5 assign (resid 46 and name HA )(resid 46 and name HB ) 3.1 1.3 0.5 assign (resid 46 and name HA )(resid 46 and name HG2* ) 3.1 1.3 0.5 assign (resid 47 and name HA )(resid 47 and name HB2 ) 4.5 2.7 0.5 assign (resid 47 and name HA )(resid 47 and name HB1 ) 4.5 2.7 0.5 assign (resid 47 and name HA )(resid 48 and name HD2 ) 3.1 1.3 0.5 assign (resid 47 and name HA )(resid 48 and name HD1 ) 3.1 1.3 0.5 assign (resid 49 and name HA )(resid 49 and name HB2 ) 4.0 2.2 0.5 assign (resid 49 and name HA )(resid 49 and name HB1 ) 4.0 2.2 0.5 assign (resid 51 and name HA )(resid 51 and name HB2 ) 4.5 2.7 0.5 assign (resid 51 and name HA )(resid 51 and name HB1 ) 4.5 2.7 0.5 assign (resid 52 and name HA )(resid 52 and name HB ) 3.1 1.3 0.5 assign (resid 52 and name HA )(resid 52 and name HG1* ) 4.5 2.7 0.5 assign (resid 52 and name HA )(resid 52 and name HG2* ) 4.5 2.7 0.5 assign (resid 53 and name HA )(resid 53 and name HB2 ) 4.5 2.7 0.5 assign (resid 53 and name HA )(resid 53 and name HB1 ) 4.5 2.7 0.5 assign (resid 53 and name HA )(resid 53 and name HD# ) 4.5 2.7 0.5 assign (resid 56 and name HA )(resid 56 and name HB2 ) 4.5 2.7 0.5 assign (resid 56 and name HA )(resid 56 and name HB1 ) 4.5 2.7 0.5 assign (resid 56 and name HA )(resid 56 and name HD# ) 4.5 2.7 0.5 assign (resid 57 and name HA )(resid 57 and name HB ) 4.5 2.7 0.5 assign (resid 57 and name HA )(resid 57 and name HG1* ) 4.5 2.7 0.5 assign (resid 57 and name HA )(resid 57 and name HG2* ) 4.5 2.7 0.5 assign (resid 60 and name HA )(resid 61 and name HG2* ) 4.5 2.7 0.5 assign (resid 62 and name HA )(resid 62 and name HB ) 4.5 2.7 0.5 assign (resid 64 and name HA )(resid 64 and name HB* ) 3.1 1.3 0.5 assign (resid 65 and name HA )(resid 65 and name HB2 ) 3.1 1.3 0.5 assign (resid 65 and name HA )(resid 65 and name HB1 ) 3.1 1.3 0.5 assign (resid 66 and name HA )(resid 66 and name HB2 ) 3.1 1.3 0.5 assign (resid 66 and name HA )(resid 66 and name HB1 ) 3.1 1.3 0.5 ! assign (resid 3 and name HB* )(resid 26 and name HB* ) 5.5 3.7 0.5 assign (resid 6 and name HB* )(resid 11 and name HB* ) 5.0 3.2 0.5 assign (resid 10 and name HB )(resid 10 and name HG2* ) 3.1 1.3 0.5 assign (resid 18 and name HB )(resid 18 and name HG1* ) 4.5 2.7 0.5 assign (resid 18 and name HB )(resid 18 and name HG2* ) 4.5 2.7 0.5 assign (resid 19 and name HB* )(resid 43 and name HB* ) 5.0 3.2 0.5 assign (resid 25 and name HB2 )(resid 25 and name HD# ) 3.1 1.3 0.5 assign (resid 25 and name HB1 )(resid 25 and name HD# ) 3.1 1.3 0.5 assign (resid 25 and name HD# )(resid 59 and name HB2 ) 4.5 2.7 0.5 assign (resid 25 and name HD# )(resid 59 and name HB1 ) 4.5 2.7 0.5 assign (resid 27 and name HB2 )(resid 27 and name HD# ) 3.1 1.3 0.5 assign (resid 27 and name HB1 )(resid 27 and name HD# ) 3.1 1.3 0.5 assign (resid 30 and name HB2 )(resid 39 and name HB ) 4.5 2.7 0.5 assign (resid 30 and name HB2 )(resid 39 and name HD# ) 4.5 2.7 0.5 assign (resid 30 and name HB1 )(resid 39 and name HG1* ) 4.5 2.7 0.5 assign (resid 30 and name HB2 )(resid 56 and name HD# ) 4.5 2.7 0.5 assign (resid 30 and name HB1 )(resid 56 and name HD# ) 4.5 2.7 0.5 assign (resid 31 and name HB2 )(resid 31 and name HD1 ) 4.5 2.7 0.5 assign (resid 31 and name HB2 )(resid 31 and name HE3 ) 5.5 3.7 0.5 assign (resid 31 and name HB1 )(resid 31 and name HD1 ) 4.5 2.7 0.5 assign (resid 31 and name HB1 )(resid 31 and name HE3 ) 5.5 3.7 0.5 assign (resid 37 and name HB )(resid 37 and name HG2* ) 3.1 1.3 0.5 assign (resid 46 and name HB )(resid 46 and name HG2* ) 3.1 1.3 0.5 assign (resid 47 and name HB* )(resid 59 and name HB* ) 5.0 3.2 0.5 assign (resid 52 and name HB )(resid 52 and name HG1* ) 4.5 2.7 0.5 assign (resid 52 and name HB )(resid 52 and name HG2* ) 4.5 2.7 0.5 assign (resid 53 and name HB2 )(resid 53 and name HD# ) 4.5 2.7 0.5 assign (resid 53 and name HB1 )(resid 53 and name HD# ) 4.5 2.7 0.5 assign (resid 56 and name HB2 )(resid 56 and name HD# ) 3.1 1.3 0.5 assign (resid 56 and name HB1 )(resid 56 and name HD# ) 3.1 1.3 0.5 assign (resid 57 and name HB )(resid 57 and name HG1* ) 3.1 1.3 0.5 assign (resid 57 and name HB )(resid 57 and name HG2* ) 3.1 1.3 0.5 assign (resid 60 and name HB* )(resid 65 and name HB* ) 4.5 2.7 0.5 assign (resid 62 and name HB )(resid 62 and name HG2* ) 3.1 1.3 0.5 ! assign (resid 42 and name HN )(resid 5 and name HA ) 6.5 4.7 0.5 assign (resid 42 and name HN )(resid 5 and name HG1* ) 6.5 4.7 0.5 assign (resid 1 and name HE* )(resid 61 and name HA ) 5.5 3.7 0.5 assign (resid 43 and name HA )(resid 3 and name HB1 ) 6.5 4.7 0.5 assign (resid 43 and name HA )(resid 3 and name HB2 ) 6.5 4.7 0.5 assign (resid 5 and name HG1* )(resid 42 and name HA1 ) 6.0 3.7 0.5 assign (resid 5 and name HG1* )(resid 42 and name HA2 ) 6.0 3.7 0.5 assign (resid 9 and name HA )(resid 39 and name HD1* ) 5.5 3.7 0.5 assign (resid 9 and name HA )(resid 39 and name HD2* ) 5.5 3.7 0.5 assign (resid 7 and name HA )(resid 39 and name HD# ) 5.0 3.2 0.5 ! !restraints dihedral ! !! 9 assign (resid 8 and name c ) (resid 9 and name n ) (resid 9 and name ca) (resid 9 and name c ) 1.0 90.0 40.0 2 !!8 assign (resid 8 and name n ) (resid 8 and name ca) (resid 8 and name c ) (resid 9 and name n ) 1.0 120.0 60.0 2 !! 9 assign (resid 9 and name n ) (resid 9 and name ca) (resid 9 and name c ) (resid 10 and name n ) 1.0 0.0 40.0 2 ! assign (resid 12 and name c ) (resid 13 and name n ) (resid 13 and name ca) (resid 13 and name c ) 1.0 -60.0 40.0 2 !! 14 assign (resid 14 and name n ) (resid 14 and name ca) (resid 14 and name c ) (resid 15 and name n ) 1.0 0.0 40.0 2 ! !! 35 assign (resid 34 and name c ) (resid 35 and name n ) (resid 35 and name ca) (resid 35 and name c ) 1.0 -90.0 40.0 2 !! 35 assign (resid 35 and name n ) (resid 35 and name ca) (resid 35 and name c ) (resid 36 and name n ) 1.0 0.0 40.0 2 ! !! 64 assign (resid 64 and name n ) (resid 64 and name ca) (resid 64 and name c ) (resid 65 and name n ) 1.0 -30.0 40.0 2 !! 65 assign (resid 65 and name n ) (resid 65 and name ca) (resid 65 and name c ) (resid 66 and name n ) 1.0 0.0 40.0 2 ! !! 2 assign (resid 1 and name c ) (resid 2 and name n ) (resid 2 and name ca) (resid 2 and name c ) 1.0 -120.0 40.0 2 !! 3 assign (resid 2 and name c ) (resid 3 and name n ) (resid 3 and name ca) (resid 3 and name c ) 1.0 -120.0 40.0 2 !! 4 assign (resid 3 and name c ) (resid 4 and name n ) (resid 4 and name ca) (resid 4 and name c ) 1.0 -120.0 40.0 2 !! 5 assign (resid 4 and name c ) (resid 5 and name n ) (resid 5 and name ca) (resid 5 and name c ) 1.0 -120.0 40.0 2 !! 15 assign (resid 14 and name c ) (resid 15 and name n ) (resid 15 and name ca) (resid 15 and name c ) 1.0 -120.0 40.0 2 !! 16 assign (resid 15 and name c ) (resid 16 and name n ) (resid 16 and name ca) (resid 16 and name c ) 1.0 -120.0 40.0 2 !! 17 assign (resid 16 and name c ) (resid 17 and name n ) (resid 17 and name ca) (resid 17 and name c ) 1.0 -120.0 40.0 2 !! 18 assign (resid 17 and name c ) (resid 18 and name n ) (resid 18 and name ca) (resid 18 and name c ) 1.0 -120.0 40.0 2 !! 24 assign (resid 23 and name c ) (resid 24 and name n ) (resid 24 and name ca) (resid 24 and name c ) 1.0 -120.0 40.0 2 !! 25 assign (resid 24 and name c ) (resid 25 and name n ) (resid 25 and name ca) (resid 25 and name c ) 1.0 -120.0 40.0 2 !! 26 assign (resid 25 and name c ) (resid 26 and name n ) (resid 26 and name ca) (resid 26 and name c ) 1.0 -120.0 60.0 2 !! 27 assign (resid 26 and name c ) (resid 27 and name n ) (resid 27 and name ca) (resid 27 and name c ) 1.0 -120.0 45.0 2 !! 28 assign (resid 27 and name c ) (resid 28 and name n ) (resid 28 and name ca) (resid 28 and name c ) 1.0 -120.0 40.0 2 !! 29 assign (resid 28 and name c ) (resid 29 and name n ) (resid 29 and name ca) (resid 29 and name c ) 1.0 -120.0 40.0 2 !! 30 assign (resid 29 and name c ) (resid 30 and name n ) (resid 30 and name ca) (resid 30 and name c ) 1.0 -120.0 40.0 2 !! 31 assign (resid 30 and name c ) (resid 31 and name n ) (resid 31 and name ca) (resid 31 and name c ) 1.0 -120.0 40.0 2 !! 32 assign (resid 31 and name c ) (resid 32 and name n ) (resid 32 and name ca) (resid 32 and name c ) 1.0 -120.0 40.0 2 !! 37 assign (resid 36 and name c ) (resid 37 and name n ) (resid 37 and name ca) (resid 37 and name c ) 1.0 -120.0 40.0 2 !! 38 assign (resid 37 and name c ) (resid 38 and name n ) (resid 38 and name ca) (resid 38 and name c ) 1.0 -120.0 40.0 2 !! 39 assign (resid 38 and name c ) (resid 39 and name n ) (resid 39 and name ca) (resid 39 and name c ) 1.0 -120.0 40.0 2 !! 40 assign (resid 39 and name c ) (resid 40 and name n ) (resid 40 and name ca) (resid 40 and name c ) 1.0 -120.0 40.0 2 !! 43 assign (resid 42 and name c ) (resid 43 and name n ) (resid 43 and name ca) (resid 43 and name c ) 1.0 -120.0 40.0 2 !! 44 assign (resid 43 and name c ) (resid 44 and name n ) (resid 44 and name ca) (resid 44 and name c ) 1.0 -120.0 40.0 2 !! 55 assign (resid 54 and name c ) (resid 55 and name n ) (resid 55 and name ca) (resid 55 and name c ) 1.0 -120.0 40.0 2 !! 56 assign (resid 55 and name c ) (resid 56 and name n ) (resid 56 and name ca) (resid 56 and name c ) 1.0 -120.0 40.0 2 !! 57 assign (resid 56 and name c ) (resid 57 and name n ) (resid 57 and name ca) (resid 57 and name c ) 1.0 -120.0 60.0 2 !! 58 assign (resid 57 and name c ) (resid 58 and name n ) (resid 58 and name ca) (resid 58 and name c ) 1.0 -120.0 40.0 2 !! 59 assign (resid 58 and name c ) (resid 59 and name n ) (resid 59 and name ca) (resid 59 and name c ) 1.0 -120.0 40.0 2 !! 60 assign (resid 59 and name c ) (resid 60 and name n ) (resid 60 and name ca) (resid 60 and name c ) 1.0 -120.0 40.0 2 !! 61 assign (resid 60 and name c ) (resid 61 and name n ) (resid 61 and name ca) (resid 61 and name c ) 1.0 -120.0 40.0 2 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 11.745 13.276 -2.869 2 2H MET 1 2H MET 1 12.563 11.810 -2.611 3 3H MET 1 3H MET 1 12.579 13.017 -1.416 4 HA MET 1 HA MET 1 11.007 11.498 -0.620 5 1HB MET 1 2HB MET 1 9.564 13.610 -2.255 6 2HB MET 1 1HB MET 1 8.976 12.853 -0.774 7 1HG MET 1 2HG MET 1 11.349 13.740 0.126 8 2HG MET 1 1HG MET 1 11.066 14.941 -1.134 9 1HE MET 1 1HE MET 1 8.048 13.148 0.953 10 2HE MET 1 2HE MET 1 8.473 13.924 2.476 11 3HE MET 1 3HE MET 1 9.665 12.933 1.637 12 H LYS 2 H LYS 2 11.297 9.516 -1.910 13 HA LYS 2 HA LYS 2 9.250 9.213 -4.087 14 1HB LYS 2 2HB LYS 2 11.847 7.705 -3.643 15 2HB LYS 2 1HB LYS 2 10.802 7.603 -5.061 16 1HG LYS 2 2HG LYS 2 11.557 9.576 -5.923 17 2HG LYS 2 1HG LYS 2 11.680 10.336 -4.336 18 1HD LYS 2 2HD LYS 2 13.925 10.122 -4.779 19 2HD LYS 2 1HD LYS 2 13.648 8.529 -4.073 20 1HE LYS 2 2HE LYS 2 13.737 7.450 -6.134 21 2HE LYS 2 1HE LYS 2 13.204 8.891 -7.024 22 1HZ LYS 2 1HZ LYS 2 15.655 8.352 -7.167 23 2HZ LYS 2 2HZ LYS 2 15.761 8.801 -5.531 24 3HZ LYS 2 3HZ LYS 2 15.268 9.935 -6.696 25 H CYS 3 H CYS 3 8.762 6.680 -4.297 26 HA CYS 3 HA CYS 3 8.623 5.364 -1.632 27 1HB CYS 3 2HB CYS 3 6.644 6.903 -1.997 28 2HB CYS 3 1HB CYS 3 6.192 5.889 -3.368 29 H LYS 4 H LYS 4 9.077 3.215 -1.931 30 HA LYS 4 HA LYS 4 9.146 2.090 -4.652 31 1HB LYS 4 2HB LYS 4 10.890 1.777 -2.845 32 2HB LYS 4 1HB LYS 4 9.711 0.810 -1.959 33 1HG LYS 4 2HG LYS 4 9.666 -0.873 -3.620 34 2HG LYS 4 1HG LYS 4 10.419 0.176 -4.823 35 1HD LYS 4 2HD LYS 4 12.430 -0.629 -4.222 36 2HD LYS 4 1HD LYS 4 12.198 0.058 -2.615 37 1HE LYS 4 2HE LYS 4 11.587 -1.962 -1.694 38 2HE LYS 4 1HE LYS 4 10.788 -2.511 -3.181 39 1HZ LYS 4 1HZ LYS 4 13.724 -2.160 -2.903 40 2HZ LYS 4 2HZ LYS 4 12.896 -2.834 -4.224 41 3HZ LYS 4 3HZ LYS 4 12.933 -3.651 -2.735 42 H ILE 5 H ILE 5 7.456 0.936 -5.507 43 HA ILE 5 HA ILE 5 5.302 0.004 -3.649 44 HB ILE 5 HB ILE 5 5.421 0.811 -6.562 45 1HG1 ILE 5 2HG1 ILE 5 3.633 1.790 -4.321 46 2HG1 ILE 5 1HG1 ILE 5 5.204 2.514 -4.670 47 1HG2 ILE 5 1HG2 ILE 5 3.114 -0.458 -5.054 48 2HG2 ILE 5 2HG2 ILE 5 4.000 -1.187 -6.393 49 3HG2 ILE 5 3HG2 ILE 5 3.007 0.245 -6.667 50 1HD1 ILE 5 1HD1 ILE 5 2.941 3.406 -5.809 51 2HD1 ILE 5 2HD1 ILE 5 3.347 2.142 -6.971 52 3HD1 ILE 5 3HD1 ILE 5 4.492 3.444 -6.649 53 H CYS 6 H CYS 6 5.019 -2.179 -3.431 54 HA CYS 6 HA CYS 6 5.656 -4.035 -5.623 55 1HB CYS 6 2HB CYS 6 7.759 -3.315 -4.172 56 2HB CYS 6 1HB CYS 6 7.101 -4.489 -3.032 57 H ASN 7 H ASN 7 4.796 -6.174 -5.181 58 HA ASN 7 HA ASN 7 2.637 -6.163 -3.158 59 1HB ASN 7 2HB ASN 7 2.568 -6.903 -5.653 60 2HB ASN 7 1HB ASN 7 3.347 -8.378 -5.080 61 1HD2 ASN 7 1HD2 ASN 7 0.398 -7.498 -5.963 62 2HD2 ASN 7 2HD2 ASN 7 -0.559 -8.282 -4.800 63 H PHE 8 H PHE 8 3.125 -6.914 -1.132 64 HA PHE 8 HA PHE 8 5.482 -8.351 -0.416 65 1HB PHE 8 2HB PHE 8 3.094 -7.283 0.770 66 2HB PHE 8 1HB PHE 8 3.353 -8.910 1.400 67 HD1 PHE 8 HD1 PHE 8 5.944 -6.507 0.226 68 HD2 PHE 8 HD2 PHE 8 4.146 -8.470 3.598 69 HE1 PHE 8 HE1 PHE 8 7.757 -5.655 1.689 70 HE2 PHE 8 HE2 PHE 8 5.959 -7.619 5.060 71 HZ PHE 8 HZ PHE 8 7.764 -6.211 4.107 72 H ASP 9 H ASP 9 5.726 -10.610 0.136 73 HA ASP 9 HA ASP 9 5.341 -12.933 -0.113 74 1HB ASP 9 2HB ASP 9 3.030 -11.799 0.766 75 2HB ASP 9 1HB ASP 9 2.478 -12.479 -0.765 76 H THR 10 H THR 10 5.335 -10.766 -2.494 77 HA THR 10 HA THR 10 5.653 -12.618 -4.638 78 HB THR 10 HB THR 10 3.313 -13.084 -4.393 79 HG1 THR 10 HG1 THR 10 3.466 -12.894 -6.495 80 1HG2 THR 10 1HG2 THR 10 3.165 -10.137 -3.933 81 2HG2 THR 10 2HG2 THR 10 2.364 -11.449 -3.069 82 3HG2 THR 10 3HG2 THR 10 1.762 -10.935 -4.645 83 H CYS 11 H CYS 11 7.023 -10.316 -3.793 84 HA CYS 11 HA CYS 11 6.424 -7.837 -4.925 85 1HB CYS 11 2HB CYS 11 8.659 -9.256 -3.866 86 2HB CYS 11 1HB CYS 11 9.195 -8.459 -5.345 87 H ARG 12 H ARG 12 5.317 -8.154 -6.963 88 HA ARG 12 HA ARG 12 6.968 -9.258 -9.196 89 1HB ARG 12 2HB ARG 12 4.027 -8.761 -8.709 90 2HB ARG 12 1HB ARG 12 4.641 -9.097 -10.328 91 1HG ARG 12 2HG ARG 12 5.799 -11.146 -9.231 92 2HG ARG 12 1HG ARG 12 4.673 -10.882 -7.900 93 1HD ARG 12 2HD ARG 12 3.915 -11.347 -10.808 94 2HD ARG 12 1HD ARG 12 3.673 -12.479 -9.462 95 HE ARG 12 HE ARG 12 2.517 -9.946 -8.784 96 1HH1 ARG 12 2HH1 ARG 12 1.982 -13.024 -10.150 97 2HH1 ARG 12 1HH1 ARG 12 0.319 -12.732 -10.533 98 1HH2 ARG 12 1HH2 ARG 12 0.406 -9.402 -9.571 99 2HH2 ARG 12 2HH2 ARG 12 -0.574 -10.682 -10.205 100 H ALA 13 H ALA 13 5.791 -6.325 -7.847 101 HA ALA 13 HA ALA 13 6.112 -4.836 -10.411 102 1HB ALA 13 1HB ALA 13 5.356 -3.448 -7.909 103 2HB ALA 13 2HB ALA 13 4.259 -4.737 -8.401 104 3HB ALA 13 3HB ALA 13 4.590 -3.395 -9.496 105 H GLY 14 H GLY 14 6.973 -4.181 -6.993 106 1HA GLY 14 2HA GLY 14 8.866 -3.125 -6.089 107 2HA GLY 14 1HA GLY 14 9.769 -4.035 -7.302 108 H GLU 15 H GLU 15 7.305 -1.551 -7.895 109 HA GLU 15 HA GLU 15 9.355 -0.023 -9.442 110 1HB GLU 15 2HB GLU 15 6.335 -0.229 -9.473 111 2HB GLU 15 1HB GLU 15 7.198 1.011 -10.384 112 1HG GLU 15 2HG GLU 15 8.596 -0.946 -11.341 113 2HG GLU 15 1HG GLU 15 7.308 -1.983 -10.727 114 H LEU 16 H LEU 16 10.139 1.790 -8.455 115 HA LEU 16 HA LEU 16 8.591 3.005 -6.217 116 1HB LEU 16 2HB LEU 16 10.869 2.413 -5.724 117 2HB LEU 16 1HB LEU 16 11.450 3.173 -7.206 118 HG LEU 16 HG LEU 16 9.924 4.902 -5.323 119 1HD1 LEU 16 1HD1 LEU 16 11.632 3.390 -4.028 120 2HD1 LEU 16 2HD1 LEU 16 11.630 5.129 -3.736 121 3HD1 LEU 16 3HD1 LEU 16 12.845 4.414 -4.797 122 1HD2 LEU 16 1HD2 LEU 16 12.237 6.177 -6.083 123 2HD2 LEU 16 2HD2 LEU 16 10.717 6.253 -6.975 124 3HD2 LEU 16 3HD2 LEU 16 11.961 5.096 -7.449 125 H LYS 17 H LYS 17 8.104 5.262 -6.233 126 HA LYS 17 HA LYS 17 8.696 6.808 -8.700 127 1HB LYS 17 2HB LYS 17 6.186 7.344 -8.775 128 2HB LYS 17 1HB LYS 17 6.640 5.712 -9.263 129 1HG LYS 17 2HG LYS 17 5.715 4.746 -7.398 130 2HG LYS 17 1HG LYS 17 6.084 6.131 -6.370 131 1HD LYS 17 2HD LYS 17 3.684 6.046 -6.654 132 2HD LYS 17 1HD LYS 17 4.289 7.415 -7.588 133 1HE LYS 17 2HE LYS 17 3.803 6.421 -9.613 134 2HE LYS 17 1HE LYS 17 4.120 4.786 -9.000 135 1HZ LYS 17 1HZ LYS 17 1.720 5.272 -9.333 136 2HZ LYS 17 2HZ LYS 17 1.832 6.470 -8.133 137 3HZ LYS 17 3HZ LYS 17 2.111 4.840 -7.740 138 H VAL 18 H VAL 18 6.902 8.930 -8.100 139 HA VAL 18 HA VAL 18 7.907 9.838 -5.425 140 HB VAL 18 HB VAL 18 7.903 12.113 -6.630 141 1HG1 VAL 18 1HG1 VAL 18 9.903 10.686 -8.139 142 2HG1 VAL 18 2HG1 VAL 18 9.791 10.005 -6.516 143 3HG1 VAL 18 3HG1 VAL 18 10.120 11.724 -6.731 144 1HG2 VAL 18 1HG2 VAL 18 7.735 12.174 -8.970 145 2HG2 VAL 18 2HG2 VAL 18 6.493 10.998 -8.541 146 3HG2 VAL 18 3HG2 VAL 18 8.060 10.448 -9.132 147 H CYS 19 H CYS 19 6.429 11.050 -4.176 148 HA CYS 19 HA CYS 19 3.851 11.921 -5.252 149 1HB CYS 19 2HB CYS 19 4.235 9.242 -4.318 150 2HB CYS 19 1HB CYS 19 3.185 10.075 -3.172 151 H ALA 20 H ALA 20 5.592 10.982 -2.267 152 HA ALA 20 HA ALA 20 4.190 12.734 -0.491 153 1HB ALA 20 1HB ALA 20 7.096 11.955 -0.247 154 2HB ALA 20 2HB ALA 20 5.822 10.744 -0.101 155 3HB ALA 20 3HB ALA 20 5.887 12.095 1.030 156 H SER 21 H SER 21 4.081 14.736 -1.844 157 HA SER 21 HA SER 21 6.660 16.213 -2.102 158 1HB SER 21 2HB SER 21 4.865 15.848 -3.948 159 2HB SER 21 1HB SER 21 3.934 17.066 -3.081 160 HG SER 21 HG SER 21 6.634 17.445 -3.846 161 H GLY 22 H GLY 22 3.937 15.984 -0.047 162 1HA GLY 22 2HA GLY 22 4.828 17.959 1.773 163 2HA GLY 22 1HA GLY 22 3.617 18.718 0.739 164 H GLU 23 H GLU 23 1.468 17.661 0.645 165 HA GLU 23 HA GLU 23 0.788 16.438 3.284 166 1HB GLU 23 2HB GLU 23 -0.556 18.158 1.237 167 2HB GLU 23 1HB GLU 23 -1.574 17.112 2.227 168 1HG GLU 23 2HG GLU 23 0.420 18.432 3.864 169 2HG GLU 23 1HG GLU 23 -0.524 19.616 2.960 170 H LYS 24 H LYS 24 1.976 14.786 1.221 171 HA LYS 24 HA LYS 24 -0.335 12.961 0.664 172 1HB LYS 24 2HB LYS 24 1.703 14.195 -1.126 173 2HB LYS 24 1HB LYS 24 1.288 12.511 -1.447 174 1HG LYS 24 2HG LYS 24 -0.941 13.008 -1.922 175 2HG LYS 24 1HG LYS 24 -0.908 14.508 -0.994 176 1HD LYS 24 2HD LYS 24 1.030 14.567 -3.163 177 2HD LYS 24 1HD LYS 24 -0.601 14.267 -3.766 178 1HE LYS 24 2HE LYS 24 -0.642 16.318 -1.707 179 2HE LYS 24 1HE LYS 24 0.454 16.764 -3.029 180 1HZ LYS 24 1HZ LYS 24 -1.388 15.898 -4.540 181 2HZ LYS 24 2HZ LYS 24 -1.640 17.405 -3.797 182 3HZ LYS 24 3HZ LYS 24 -2.403 16.015 -3.186 183 H TYR 25 H TYR 25 0.152 10.756 0.951 184 HA TYR 25 HA TYR 25 2.977 10.040 1.632 185 1HB TYR 25 2HB TYR 25 2.054 8.816 3.605 186 2HB TYR 25 1HB TYR 25 1.752 10.551 3.697 187 HD1 TYR 25 HD1 TYR 25 -0.427 11.313 4.075 188 HD2 TYR 25 HD2 TYR 25 0.179 7.396 2.422 189 HE1 TYR 25 HE1 TYR 25 -2.867 10.884 4.197 190 HE2 TYR 25 HE2 TYR 25 -2.260 6.966 2.545 191 HH TYR 25 HH TYR 25 -4.359 8.795 4.354 192 H CYS 26 H CYS 26 3.072 7.508 1.855 193 HA CYS 26 HA CYS 26 1.734 6.377 -0.536 194 1HB CYS 26 2HB CYS 26 4.207 6.096 0.866 195 2HB CYS 26 1HB CYS 26 3.410 4.524 0.863 196 H PHE 27 H PHE 27 0.180 4.741 -0.417 197 HA PHE 27 HA PHE 27 -0.655 3.906 2.342 198 1HB PHE 27 2HB PHE 27 -2.239 5.408 1.236 199 2HB PHE 27 1HB PHE 27 -2.254 4.375 -0.194 200 HD1 PHE 27 HD1 PHE 27 -2.165 3.217 3.335 201 HD2 PHE 27 HD2 PHE 27 -4.553 3.699 -0.203 202 HE1 PHE 27 HE1 PHE 27 -3.951 1.830 4.352 203 HE2 PHE 27 HE2 PHE 27 -6.340 2.312 0.814 204 HZ PHE 27 HZ PHE 27 -6.038 1.377 3.092 205 H LYS 28 H LYS 28 -0.245 1.772 2.676 206 HA LYS 28 HA LYS 28 -0.369 -0.094 0.328 207 1HB LYS 28 2HB LYS 28 1.460 0.267 2.658 208 2HB LYS 28 1HB LYS 28 1.150 -1.391 2.143 209 1HG LYS 28 2HG LYS 28 2.936 -0.881 0.762 210 2HG LYS 28 1HG LYS 28 1.603 -0.357 -0.266 211 1HD LYS 28 2HD LYS 28 2.747 1.610 -0.347 212 2HD LYS 28 1HD LYS 28 2.013 1.889 1.233 213 1HE LYS 28 2HE LYS 28 4.249 2.214 1.787 214 2HE LYS 28 1HE LYS 28 4.151 0.459 2.032 215 1HZ LYS 28 1HZ LYS 28 4.711 0.214 -0.365 216 2HZ LYS 28 2HZ LYS 28 5.967 0.876 0.567 217 3HZ LYS 28 3HZ LYS 28 5.022 1.880 -0.426 218 H GLU 29 H GLU 29 -2.058 -1.533 0.477 219 HA GLU 29 HA GLU 29 -3.009 -2.306 3.213 220 1HB GLU 29 2HB GLU 29 -5.326 -2.189 2.166 221 2HB GLU 29 1HB GLU 29 -4.516 -0.634 2.357 222 1HG GLU 29 2HG GLU 29 -4.306 -0.322 0.110 223 2HG GLU 29 1HG GLU 29 -3.956 -2.024 -0.191 224 H SER 30 H SER 30 -4.660 -4.245 2.873 225 HA SER 30 HA SER 30 -3.772 -6.051 0.675 226 1HB SER 30 2HB SER 30 -2.264 -6.502 2.513 227 2HB SER 30 1HB SER 30 -3.598 -6.538 3.663 228 HG SER 30 HG SER 30 -3.382 -8.622 3.226 229 H TRP 31 H TRP 31 -5.725 -6.555 -0.255 230 HA TRP 31 HA TRP 31 -8.210 -6.614 1.302 231 1HB TRP 31 2HB TRP 31 -7.505 -6.049 -1.273 232 2HB TRP 31 1HB TRP 31 -8.097 -7.701 -1.452 233 HD1 TRP 31 HD1 TRP 31 -10.648 -8.167 -0.968 234 HE1 TRP 31 HE1 TRP 31 -12.690 -6.610 -0.745 235 HE3 TRP 31 HE3 TRP 31 -8.278 -3.675 -0.450 236 HZ2 TRP 31 HZ2 TRP 31 -13.245 -3.826 -0.392 237 HZ3 TRP 31 HZ3 TRP 31 -9.584 -1.589 -0.172 238 HH2 TRP 31 HH2 TRP 31 -12.063 -1.657 -0.142 239 H ARG 32 H ARG 32 -9.345 -8.475 1.911 240 HA ARG 32 HA ARG 32 -7.853 -11.048 1.692 241 1HB ARG 32 2HB ARG 32 -9.351 -9.656 3.691 242 2HB ARG 32 1HB ARG 32 -10.189 -11.171 3.345 243 1HG ARG 32 2HG ARG 32 -7.903 -12.308 3.540 244 2HG ARG 32 1HG ARG 32 -7.324 -10.794 4.234 245 1HD ARG 32 2HD ARG 32 -7.985 -12.183 6.092 246 2HD ARG 32 1HD ARG 32 -9.277 -10.982 5.897 247 HE ARG 32 HE ARG 32 -10.211 -12.918 4.280 248 1HH1 ARG 32 1HH2 ARG 32 -8.427 -14.972 5.456 249 2HH1 ARG 32 2HH2 ARG 32 -9.377 -15.601 6.761 250 1HH2 ARG 32 2HH1 ARG 32 -11.578 -12.922 6.799 251 2HH2 ARG 32 1HH1 ARG 32 -11.160 -14.439 7.521 252 H GLU 33 H GLU 33 -9.181 -13.018 1.252 253 HA GLU 33 HA GLU 33 -11.715 -12.530 -0.239 254 1HB GLU 33 2HB GLU 33 -9.972 -12.372 -1.908 255 2HB GLU 33 1HB GLU 33 -9.176 -13.816 -1.285 256 1HG GLU 33 2HG GLU 33 -11.335 -15.072 -1.827 257 2HG GLU 33 1HG GLU 33 -11.828 -13.637 -2.727 258 H ALA 34 H ALA 34 -9.497 -15.309 -0.045 259 HA ALA 34 HA ALA 34 -10.720 -16.802 2.005 260 1HB ALA 34 1HB ALA 34 -12.161 -16.727 -0.618 261 2HB ALA 34 2HB ALA 34 -12.820 -16.822 1.015 262 3HB ALA 34 3HB ALA 34 -12.130 -18.258 0.258 263 H ARG 35 H ARG 35 -9.232 -16.771 -1.174 264 HA ARG 35 HA ARG 35 -7.858 -19.358 -0.511 265 1HB ARG 35 2HB ARG 35 -9.197 -18.268 -2.924 266 2HB ARG 35 1HB ARG 35 -7.683 -19.125 -3.219 267 1HG ARG 35 2HG ARG 35 -8.784 -21.074 -3.008 268 2HG ARG 35 1HG ARG 35 -9.124 -20.665 -1.326 269 1HD ARG 35 2HD ARG 35 -11.320 -20.576 -1.893 270 2HD ARG 35 1HD ARG 35 -10.941 -19.132 -2.853 271 HE ARG 35 HE ARG 35 -10.199 -20.956 -4.627 272 1HH1 ARG 35 2HH1 ARG 35 -11.629 -22.958 -2.707 273 2HH1 ARG 35 1HH1 ARG 35 -13.121 -23.170 -3.560 274 1HH2 ARG 35 1HH2 ARG 35 -12.645 -20.416 -5.613 275 2HH2 ARG 35 2HH2 ARG 35 -13.696 -21.731 -5.207 276 H GLY 36 H GLY 36 -7.371 -16.098 -0.621 277 1HA GLY 36 2HA GLY 36 -4.604 -16.100 -0.383 278 2HA GLY 36 1HA GLY 36 -4.887 -15.964 -2.119 279 H THR 37 H THR 37 -4.015 -14.047 0.219 280 HA THR 37 HA THR 37 -6.029 -11.898 -0.056 281 HB THR 37 HB THR 37 -4.670 -10.824 1.638 282 HG1 THR 37 HG1 THR 37 -2.627 -11.505 2.079 283 1HG2 THR 37 1HG2 THR 37 -5.628 -13.509 1.871 284 2HG2 THR 37 2HG2 THR 37 -5.519 -12.275 3.126 285 3HG2 THR 37 3HG2 THR 37 -4.158 -13.358 2.834 286 H ARG 38 H ARG 38 -5.431 -9.780 -0.914 287 HA ARG 38 HA ARG 38 -3.134 -9.872 -2.846 288 1HB ARG 38 2HB ARG 38 -6.012 -9.223 -3.080 289 2HB ARG 38 1HB ARG 38 -4.931 -8.094 -3.899 290 1HG ARG 38 2HG ARG 38 -4.347 -10.989 -4.260 291 2HG ARG 38 1HG ARG 38 -5.794 -10.371 -5.058 292 1HD ARG 38 2HD ARG 38 -4.586 -8.971 -6.465 293 2HD ARG 38 1HD ARG 38 -3.251 -8.794 -5.309 294 HE ARG 38 HE ARG 38 -3.067 -11.433 -5.845 295 1HH1 ARG 38 2HH1 ARG 38 -2.342 -8.634 -7.512 296 2HH1 ARG 38 1HH1 ARG 38 -2.137 -9.386 -9.058 297 1HH2 ARG 38 1HH2 ARG 38 -3.348 -12.465 -8.017 298 2HH2 ARG 38 2HH2 ARG 38 -2.705 -11.557 -9.344 299 H ILE 39 H ILE 39 -1.598 -8.395 -2.241 300 HA ILE 39 HA ILE 39 -2.280 -6.173 -0.431 301 HB ILE 39 HB ILE 39 0.208 -7.365 -1.649 302 1HG1 ILE 39 2HG1 ILE 39 0.048 -6.825 1.232 303 2HG1 ILE 39 1HG1 ILE 39 -1.244 -7.876 0.652 304 1HG2 ILE 39 1HG2 ILE 39 0.783 -5.069 -1.718 305 2HG2 ILE 39 2HG2 ILE 39 1.407 -5.616 -0.162 306 3HG2 ILE 39 3HG2 ILE 39 -0.107 -4.715 -0.237 307 1HD1 ILE 39 1HD1 ILE 39 0.214 -9.589 0.624 308 2HD1 ILE 39 2HD1 ILE 39 1.535 -8.509 1.071 309 3HD1 ILE 39 3HD1 ILE 39 1.127 -8.747 -0.628 310 H GLU 40 H GLU 40 -2.711 -4.121 -1.134 311 HA GLU 40 HA GLU 40 -2.105 -3.458 -3.996 312 1HB GLU 40 2HB GLU 40 -4.449 -3.361 -2.363 313 2HB GLU 40 1HB GLU 40 -4.008 -1.702 -2.768 314 1HG GLU 40 2HG GLU 40 -4.639 -1.969 -4.916 315 2HG GLU 40 1HG GLU 40 -3.725 -3.471 -5.063 316 H ARG 41 H ARG 41 -1.152 -1.408 -4.426 317 HA ARG 41 HA ARG 41 -0.104 0.044 -2.015 318 1HB ARG 41 2HB ARG 41 1.170 -0.214 -4.755 319 2HB ARG 41 1HB ARG 41 1.928 0.374 -3.275 320 1HG ARG 41 2HG ARG 41 2.465 -1.718 -2.638 321 2HG ARG 41 1HG ARG 41 0.803 -2.266 -2.863 322 1HD ARG 41 2HD ARG 41 1.909 -1.856 -5.462 323 2HD ARG 41 1HD ARG 41 3.069 -2.819 -4.527 324 HE ARG 41 HE ARG 41 0.675 -3.981 -3.862 325 1HH1 ARG 41 1HH2 ARG 41 2.351 -3.241 -6.785 326 2HH1 ARG 41 2HH2 ARG 41 1.519 -4.438 -7.719 327 1HH2 ARG 41 2HH1 ARG 41 -0.491 -5.479 -5.093 328 2HH2 ARG 41 1HH1 ARG 41 -0.088 -5.705 -6.762 329 H GLY 42 H GLY 42 0.952 2.242 -3.393 330 1HA GLY 42 2HA GLY 42 0.012 3.768 -5.249 331 2HA GLY 42 1HA GLY 42 -1.538 3.517 -4.446 332 H CYS 43 H CYS 43 0.193 5.988 -4.829 333 HA CYS 43 HA CYS 43 0.575 6.712 -1.947 334 1HB CYS 43 2HB CYS 43 2.056 8.480 -2.929 335 2HB CYS 43 1HB CYS 43 2.571 6.846 -3.349 336 H ALA 44 H ALA 44 -0.848 8.185 -1.105 337 HA ALA 44 HA ALA 44 -2.040 10.284 -2.789 338 1HB ALA 44 1HB ALA 44 -4.310 9.478 -2.549 339 2HB ALA 44 2HB ALA 44 -3.788 8.190 -1.463 340 3HB ALA 44 3HB ALA 44 -3.342 8.140 -3.169 341 H ALA 45 H ALA 45 -4.328 10.353 -0.787 342 HA ALA 45 HA ALA 45 -2.842 11.159 1.680 343 1HB ALA 45 1HB ALA 45 -4.004 12.839 -0.336 344 2HB ALA 45 2HB ALA 45 -3.200 13.327 1.155 345 3HB ALA 45 3HB ALA 45 -4.937 13.025 1.149 346 H THR 46 H THR 46 -5.057 9.146 0.521 347 HA THR 46 HA THR 46 -6.969 9.527 2.802 348 HB THR 46 HB THR 46 -8.572 8.357 1.285 349 HG1 THR 46 HG1 THR 46 -6.522 7.503 0.115 350 1HG2 THR 46 1HG2 THR 46 -9.093 10.282 0.130 351 2HG2 THR 46 2HG2 THR 46 -7.426 10.552 -0.379 352 3HG2 THR 46 3HG2 THR 46 -7.920 10.947 1.268 353 H CYS 47 H CYS 47 -6.711 7.974 4.352 354 HA CYS 47 HA CYS 47 -5.656 5.289 3.515 355 1HB CYS 47 2HB CYS 47 -5.099 7.179 5.747 356 2HB CYS 47 1HB CYS 47 -5.097 5.465 6.159 357 HA PRO 48 HA PRO 48 -9.915 4.723 5.213 358 1HB PRO 48 2HB PRO 48 -10.693 2.888 3.337 359 2HB PRO 48 1HB PRO 48 -10.836 4.641 3.094 360 1HG PRO 48 2HG PRO 48 -8.792 2.746 2.056 361 2HG PRO 48 1HG PRO 48 -9.537 4.147 1.271 362 1HD PRO 48 2HD PRO 48 -7.030 4.170 2.366 363 2HD PRO 48 1HD PRO 48 -8.048 5.616 2.189 364 H LYS 49 H LYS 49 -10.909 2.564 5.929 365 HA LYS 49 HA LYS 49 -8.743 0.565 6.509 366 1HB LYS 49 2HB LYS 49 -10.419 2.184 8.184 367 2HB LYS 49 1HB LYS 49 -10.846 0.491 8.439 368 1HG LYS 49 2HG LYS 49 -8.068 0.450 8.331 369 2HG LYS 49 1HG LYS 49 -8.427 1.928 9.225 370 1HD LYS 49 2HD LYS 49 -9.438 0.795 10.969 371 2HD LYS 49 1HD LYS 49 -9.946 -0.546 9.940 372 1HE LYS 49 2HE LYS 49 -7.632 -1.366 9.816 373 2HE LYS 49 1HE LYS 49 -7.082 0.005 10.799 374 1HZ LYS 49 1HZ LYS 49 -7.647 -2.152 12.017 375 2HZ LYS 49 2HZ LYS 49 -9.271 -1.763 11.706 376 3HZ LYS 49 3HZ LYS 49 -8.305 -0.715 12.630 377 H GLY 50 H GLY 50 -10.619 -1.242 7.782 378 1HA GLY 50 2HA GLY 50 -12.688 -1.883 5.804 379 2HA GLY 50 1HA GLY 50 -11.339 -3.019 5.839 380 H SER 51 H SER 51 -13.306 -4.432 6.496 381 HA SER 51 HA SER 51 -13.067 -5.268 9.176 382 1HB SER 51 2HB SER 51 -15.442 -4.228 9.828 383 2HB SER 51 1HB SER 51 -13.951 -3.322 10.073 384 HG SER 51 HG SER 51 -15.442 -2.056 8.955 385 H VAL 52 H VAL 52 -15.749 -4.601 6.886 386 HA VAL 52 HA VAL 52 -17.234 -6.977 7.406 387 HB VAL 52 HB VAL 52 -16.927 -5.191 4.974 388 1HG1 VAL 52 1HG1 VAL 52 -19.119 -6.161 4.267 389 2HG1 VAL 52 2HG1 VAL 52 -18.980 -7.344 5.567 390 3HG1 VAL 52 3HG1 VAL 52 -17.812 -7.344 4.246 391 1HG2 VAL 52 1HG2 VAL 52 -18.106 -3.779 6.286 392 2HG2 VAL 52 2HG2 VAL 52 -18.329 -5.019 7.520 393 3HG2 VAL 52 3HG2 VAL 52 -19.451 -4.912 6.164 394 H TYR 53 H TYR 53 -14.309 -6.442 5.597 395 HA TYR 53 HA TYR 53 -14.482 -9.211 4.459 396 1HB TYR 53 2HB TYR 53 -13.254 -6.606 3.599 397 2HB TYR 53 1HB TYR 53 -12.565 -8.118 3.007 398 HD1 TYR 53 HD1 TYR 53 -16.014 -6.751 3.613 399 HD2 TYR 53 HD2 TYR 53 -13.352 -8.786 0.926 400 HE1 TYR 53 HE1 TYR 53 -17.838 -6.931 1.943 401 HE2 TYR 53 HE2 TYR 53 -15.176 -8.966 -0.744 402 HH TYR 53 HH TYR 53 -17.332 -8.620 -1.155 403 H GLY 54 H GLY 54 -12.103 -6.857 5.755 404 1HA GLY 54 2HA GLY 54 -10.712 -7.578 7.696 405 2HA GLY 54 1HA GLY 54 -10.651 -9.180 6.959 406 H LEU 55 H LEU 55 -10.205 -5.977 5.453 407 HA LEU 55 HA LEU 55 -7.751 -6.957 4.142 408 1HB LEU 55 2HB LEU 55 -7.973 -4.904 2.871 409 2HB LEU 55 1HB LEU 55 -9.586 -5.595 3.054 410 HG LEU 55 HG LEU 55 -9.537 -4.086 5.274 411 1HD1 LEU 55 1HD1 LEU 55 -7.500 -2.990 5.186 412 2HD1 LEU 55 2HD1 LEU 55 -8.494 -1.844 4.286 413 3HD1 LEU 55 3HD1 LEU 55 -7.461 -2.983 3.423 414 1HD2 LEU 55 1HD2 LEU 55 -10.056 -2.821 2.573 415 2HD2 LEU 55 2HD2 LEU 55 -10.905 -2.526 4.090 416 3HD2 LEU 55 3HD2 LEU 55 -11.113 -4.061 3.249 417 H TYR 56 H TYR 56 -5.723 -5.685 4.290 418 HA TYR 56 HA TYR 56 -5.328 -4.593 7.043 419 1HB TYR 56 2HB TYR 56 -4.034 -6.557 5.820 420 2HB TYR 56 1HB TYR 56 -3.133 -5.224 5.097 421 HD1 TYR 56 HD1 TYR 56 -3.397 -7.359 7.922 422 HD2 TYR 56 HD2 TYR 56 -2.292 -3.373 6.765 423 HE1 TYR 56 HE1 TYR 56 -2.075 -7.120 10.006 424 HE2 TYR 56 HE2 TYR 56 -0.970 -3.134 8.850 425 HH TYR 56 HH TYR 56 -0.266 -5.818 10.895 426 H VAL 57 H VAL 57 -4.454 -2.505 7.325 427 HA VAL 57 HA VAL 57 -4.050 -0.877 4.841 428 HB VAL 57 HB VAL 57 -5.135 0.950 6.256 429 1HG1 VAL 57 1HG1 VAL 57 -6.814 0.373 4.863 430 2HG1 VAL 57 2HG1 VAL 57 -7.403 -0.693 6.138 431 3HG1 VAL 57 3HG1 VAL 57 -6.327 -1.322 4.891 432 1HG2 VAL 57 1HG2 VAL 57 -4.798 -0.879 8.285 433 2HG2 VAL 57 2HG2 VAL 57 -6.504 -1.080 7.887 434 3HG2 VAL 57 3HG2 VAL 57 -5.888 0.505 8.352 435 H LEU 58 H LEU 58 -2.177 0.340 4.873 436 HA LEU 58 HA LEU 58 -0.913 1.083 7.441 437 1HB LEU 58 2HB LEU 58 -0.271 -1.315 6.664 438 2HB LEU 58 1HB LEU 58 0.666 -0.499 5.412 439 HG LEU 58 HG LEU 58 0.956 0.330 8.289 440 1HD1 LEU 58 1HD1 LEU 58 1.483 -1.909 8.619 441 2HD1 LEU 58 2HD1 LEU 58 3.048 -1.284 8.099 442 3HD1 LEU 58 3HD1 LEU 58 2.014 -2.137 6.953 443 1HD2 LEU 58 1HD2 LEU 58 2.749 0.355 5.840 444 2HD2 LEU 58 2HD2 LEU 58 3.252 0.888 7.445 445 3HD2 LEU 58 3HD2 LEU 58 1.972 1.750 6.590 446 H CYS 59 H CYS 59 -0.489 3.222 7.065 447 HA CYS 59 HA CYS 59 0.205 4.116 4.308 448 1HB CYS 59 2HB CYS 59 -0.241 5.851 6.742 449 2HB CYS 59 1HB CYS 59 -0.537 6.243 5.051 450 H CYS 60 H CYS 60 2.035 5.756 4.157 451 HA CYS 60 HA CYS 60 4.050 5.607 6.330 452 1HB CYS 60 2HB CYS 60 4.022 3.898 4.031 453 2HB CYS 60 1HB CYS 60 5.373 4.998 3.880 454 H THR 61 H THR 61 5.798 7.155 6.007 455 HA THR 61 HA THR 61 5.638 9.007 3.736 456 HB THR 61 HB THR 61 3.936 9.736 5.428 457 HG1 THR 61 HG1 THR 61 5.579 11.153 4.143 458 1HG2 THR 61 1HG2 THR 61 6.290 10.380 7.203 459 2HG2 THR 61 2HG2 THR 61 5.404 8.862 7.355 460 3HG2 THR 61 3HG2 THR 61 4.574 10.397 7.611 461 H THR 62 H THR 62 7.562 10.355 3.599 462 HA THR 62 HA THR 62 9.803 10.982 4.050 463 HB THR 62 HB THR 62 9.695 9.425 6.611 464 HG1 THR 62 HG1 THR 62 8.173 10.647 7.411 465 1HG2 THR 62 1HG2 THR 62 10.669 12.201 5.879 466 2HG2 THR 62 2HG2 THR 62 11.684 10.765 6.009 467 3HG2 THR 62 3HG2 THR 62 10.882 11.411 7.441 468 H ASP 63 H ASP 63 11.593 10.018 3.200 469 HA ASP 63 HA ASP 63 12.922 8.295 2.258 470 1HB ASP 63 2HB ASP 63 13.340 8.506 4.804 471 2HB ASP 63 1HB ASP 63 12.436 6.998 4.939 472 H ASP 64 H ASP 64 11.777 7.195 0.638 473 HA ASP 64 HA ASP 64 10.593 5.377 -0.333 474 1HB ASP 64 2HB ASP 64 11.847 4.479 2.167 475 2HB ASP 64 1HB ASP 64 10.464 3.490 1.694 476 H CYS 65 H CYS 65 9.521 5.008 3.090 477 HA CYS 65 HA CYS 65 6.864 4.463 2.712 478 1HB CYS 65 2HB CYS 65 8.525 5.910 4.721 479 2HB CYS 65 1HB CYS 65 6.778 6.040 4.891 480 H ASN 66 HN ASN 66 8.466 7.518 2.078 481 HA ASN 66 HA ASN 66 6.619 9.518 2.251 482 1HB ASN 66 2HB ASN 66 8.643 8.680 0.237 483 2HB ASN 66 1HB ASN 66 7.537 9.964 -0.253 484 1HD2 ASN 66 1HD2 ASN 66 10.520 9.991 0.578 485 2HD2 ASN 66 2HD2 ASN 66 10.596 11.205 1.762 Start of MODEL 2 1 1H MET 1 1H MET 1 13.951 10.721 -0.333 2 2H MET 1 2H MET 1 13.836 12.406 -0.152 3 3H MET 1 3H MET 1 13.720 11.705 -1.694 4 HA MET 1 HA MET 1 11.777 10.980 0.412 5 1HB MET 1 2HB MET 1 12.316 13.579 -0.735 6 2HB MET 1 1HB MET 1 10.726 13.017 -1.253 7 1HG MET 1 2HG MET 1 10.939 12.345 1.484 8 2HG MET 1 1HG MET 1 11.537 13.999 1.336 9 1HE MET 1 1HE MET 1 8.278 13.251 2.812 10 2HE MET 1 2HE MET 1 8.368 14.998 2.602 11 3HE MET 1 3HE MET 1 9.823 14.090 3.002 12 H LYS 2 H LYS 2 11.476 8.975 -0.694 13 HA LYS 2 HA LYS 2 10.212 9.240 -3.400 14 1HB LYS 2 2HB LYS 2 12.489 7.516 -2.447 15 2HB LYS 2 1HB LYS 2 11.470 6.965 -3.778 16 1HG LYS 2 2HG LYS 2 12.105 8.733 -5.172 17 2HG LYS 2 1HG LYS 2 12.608 9.747 -3.819 18 1HD LYS 2 2HD LYS 2 14.130 7.282 -3.861 19 2HD LYS 2 1HD LYS 2 14.262 8.119 -5.407 20 1HE LYS 2 2HE LYS 2 15.798 9.471 -4.424 21 2HE LYS 2 1HE LYS 2 14.472 10.145 -3.456 22 1HZ LYS 2 1HZ LYS 2 16.408 9.030 -2.221 23 2HZ LYS 2 2HZ LYS 2 15.719 7.566 -2.738 24 3HZ LYS 2 3HZ LYS 2 14.828 8.627 -1.754 25 H CYS 3 H CYS 3 9.661 6.508 -3.746 26 HA CYS 3 HA CYS 3 8.362 5.445 -1.332 27 1HB CYS 3 2HB CYS 3 6.941 7.349 -2.350 28 2HB CYS 3 1HB CYS 3 6.629 6.234 -3.681 29 H LYS 4 H LYS 4 8.698 3.268 -1.549 30 HA LYS 4 HA LYS 4 9.286 2.068 -4.152 31 1HB LYS 4 2HB LYS 4 9.595 0.050 -2.753 32 2HB LYS 4 1HB LYS 4 10.413 1.441 -2.041 33 1HG LYS 4 2HG LYS 4 9.247 1.085 -0.149 34 2HG LYS 4 1HG LYS 4 7.778 1.502 -1.032 35 1HD LYS 4 2HD LYS 4 7.304 -0.755 -1.547 36 2HD LYS 4 1HD LYS 4 8.950 -1.273 -1.182 37 1HE LYS 4 2HE LYS 4 8.606 -0.861 1.201 38 2HE LYS 4 1HE LYS 4 6.989 -0.201 0.880 39 1HZ LYS 4 1HZ LYS 4 6.740 -2.452 -0.410 40 2HZ LYS 4 2HZ LYS 4 6.462 -2.378 1.265 41 3HZ LYS 4 3HZ LYS 4 7.940 -2.970 0.671 42 H ILE 5 H ILE 5 7.747 1.247 -5.511 43 HA ILE 5 HA ILE 5 5.022 0.698 -4.400 44 HB ILE 5 HB ILE 5 5.919 1.094 -7.270 45 1HG1 ILE 5 2HG1 ILE 5 4.602 3.183 -5.534 46 2HG1 ILE 5 1HG1 ILE 5 6.358 3.033 -5.603 47 1HG2 ILE 5 1HG2 ILE 5 3.271 0.952 -5.842 48 2HG2 ILE 5 2HG2 ILE 5 3.783 0.113 -7.306 49 3HG2 ILE 5 3HG2 ILE 5 3.421 1.838 -7.359 50 1HD1 ILE 5 1HD1 ILE 5 4.444 3.902 -7.726 51 2HD1 ILE 5 2HD1 ILE 5 5.884 3.015 -8.230 52 3HD1 ILE 5 3HD1 ILE 5 6.048 4.527 -7.336 53 H CYS 6 H CYS 6 4.254 -1.386 -4.455 54 HA CYS 6 HA CYS 6 5.106 -3.367 -6.397 55 1HB CYS 6 2HB CYS 6 6.441 -4.734 -4.880 56 2HB CYS 6 1HB CYS 6 7.109 -3.104 -4.899 57 H ASN 7 H ASN 7 3.417 -4.815 -6.518 58 HA ASN 7 HA ASN 7 1.857 -5.423 -4.049 59 1HB ASN 7 2HB ASN 7 -0.226 -4.943 -5.367 60 2HB ASN 7 1HB ASN 7 0.782 -3.517 -5.129 61 1HD2 ASN 7 1HD2 ASN 7 2.002 -2.703 -6.989 62 2HD2 ASN 7 2HD2 ASN 7 1.614 -3.185 -8.570 63 H PHE 8 H PHE 8 -0.216 -6.757 -5.640 64 HA PHE 8 HA PHE 8 -0.633 -8.798 -6.770 65 1HB PHE 8 2HB PHE 8 1.597 -7.662 -7.973 66 2HB PHE 8 1HB PHE 8 2.163 -9.272 -7.529 67 HD1 PHE 8 HD1 PHE 8 0.225 -11.165 -7.931 68 HD2 PHE 8 HD2 PHE 8 0.664 -7.478 -10.092 69 HE1 PHE 8 HE1 PHE 8 -1.027 -12.135 -9.841 70 HE2 PHE 8 HE2 PHE 8 -0.588 -8.448 -12.001 71 HZ PHE 8 HZ PHE 8 -1.433 -10.776 -11.875 72 H ASP 9 H ASP 9 -0.482 -9.084 -4.138 73 HA ASP 9 HA ASP 9 -0.165 -10.782 -2.517 74 1HB ASP 9 2HB ASP 9 0.076 -12.000 -4.949 75 2HB ASP 9 1HB ASP 9 1.654 -12.350 -4.242 76 H THR 10 H THR 10 2.797 -9.986 -4.398 77 HA THR 10 HA THR 10 4.247 -9.773 -1.795 78 HB THR 10 HB THR 10 6.170 -10.762 -3.050 79 HG1 THR 10 HG1 THR 10 4.193 -11.044 -5.054 80 1HG2 THR 10 1HG2 THR 10 5.196 -12.477 -1.893 81 2HG2 THR 10 2HG2 THR 10 4.794 -13.030 -3.520 82 3HG2 THR 10 3HG2 THR 10 3.598 -12.153 -2.564 83 H CYS 11 H CYS 11 6.601 -9.141 -3.782 84 HA CYS 11 HA CYS 11 5.763 -6.465 -4.750 85 1HB CYS 11 2HB CYS 11 7.631 -7.093 -2.478 86 2HB CYS 11 1HB CYS 11 7.906 -5.648 -3.450 87 H ARG 12 H ARG 12 6.428 -8.517 -6.432 88 HA ARG 12 HA ARG 12 9.240 -8.765 -7.004 89 1HB ARG 12 2HB ARG 12 8.463 -10.000 -8.890 90 2HB ARG 12 1HB ARG 12 7.261 -10.272 -7.628 91 1HG ARG 12 2HG ARG 12 5.963 -8.328 -8.585 92 2HG ARG 12 1HG ARG 12 7.087 -8.338 -9.942 93 1HD ARG 12 2HD ARG 12 6.221 -11.031 -9.545 94 2HD ARG 12 1HD ARG 12 4.779 -9.996 -9.572 95 HE ARG 12 HE ARG 12 6.408 -9.034 -11.632 96 1HH1 ARG 12 2HH1 ARG 12 4.016 -11.318 -11.033 97 2HH1 ARG 12 1HH1 ARG 12 4.212 -12.171 -12.528 98 1HH2 ARG 12 1HH2 ARG 12 7.061 -10.426 -13.457 99 2HH2 ARG 12 2HH2 ARG 12 5.936 -11.667 -13.900 100 H ALA 13 H ALA 13 6.779 -6.480 -7.930 101 HA ALA 13 HA ALA 13 8.036 -5.329 -10.229 102 1HB ALA 13 1HB ALA 13 5.900 -4.721 -8.286 103 2HB ALA 13 2HB ALA 13 5.901 -4.545 -10.041 104 3HB ALA 13 3HB ALA 13 6.624 -3.296 -9.028 105 H GLY 14 H GLY 14 8.062 -4.233 -6.810 106 1HA GLY 14 2HA GLY 14 9.578 -2.841 -5.680 107 2HA GLY 14 1HA GLY 14 10.807 -3.600 -6.692 108 H GLU 15 H GLU 15 8.074 -1.592 -7.756 109 HA GLU 15 HA GLU 15 9.960 0.108 -9.274 110 1HB GLU 15 2HB GLU 15 7.342 -0.886 -9.572 111 2HB GLU 15 1HB GLU 15 7.157 0.855 -9.362 112 1HG GLU 15 2HG GLU 15 7.989 1.270 -11.414 113 2HG GLU 15 1HG GLU 15 9.389 0.239 -11.119 114 H LEU 16 H LEU 16 10.950 1.395 -7.615 115 HA LEU 16 HA LEU 16 9.197 2.947 -5.797 116 1HB LEU 16 2HB LEU 16 11.139 2.004 -4.793 117 2HB LEU 16 1HB LEU 16 12.168 2.505 -6.135 118 HG LEU 16 HG LEU 16 10.803 4.779 -4.939 119 1HD1 LEU 16 1HD1 LEU 16 12.883 3.803 -3.085 120 2HD1 LEU 16 2HD1 LEU 16 11.380 2.882 -3.049 121 3HD1 LEU 16 3HD1 LEU 16 11.358 4.618 -2.738 122 1HD2 LEU 16 1HD2 LEU 16 13.048 5.697 -4.965 123 2HD2 LEU 16 2HD2 LEU 16 12.814 4.783 -6.455 124 3HD2 LEU 16 3HD2 LEU 16 13.750 4.087 -5.132 125 H LYS 17 H LYS 17 8.733 5.097 -6.127 126 HA LYS 17 HA LYS 17 10.342 6.637 -8.113 127 1HB LYS 17 2HB LYS 17 7.322 6.318 -8.051 128 2HB LYS 17 1HB LYS 17 8.203 7.386 -9.143 129 1HG LYS 17 2HG LYS 17 9.490 4.949 -9.469 130 2HG LYS 17 1HG LYS 17 7.794 4.491 -9.306 131 1HD LYS 17 2HD LYS 17 7.966 6.815 -10.984 132 2HD LYS 17 1HD LYS 17 9.085 5.590 -11.588 133 1HE LYS 17 2HE LYS 17 6.425 4.559 -10.773 134 2HE LYS 17 1HE LYS 17 6.434 5.601 -12.209 135 1HZ LYS 17 1HZ LYS 17 8.337 4.287 -13.039 136 2HZ LYS 17 2HZ LYS 17 6.920 3.363 -12.886 137 3HZ LYS 17 3HZ LYS 17 8.155 3.226 -11.729 138 H VAL 18 H VAL 18 8.396 8.847 -7.978 139 HA VAL 18 HA VAL 18 8.679 9.630 -5.099 140 HB VAL 18 HB VAL 18 9.186 11.921 -6.119 141 1HG1 VAL 18 1HG1 VAL 18 11.500 11.430 -6.272 142 2HG1 VAL 18 2HG1 VAL 18 11.197 9.812 -6.904 143 3HG1 VAL 18 3HG1 VAL 18 10.859 10.176 -5.211 144 1HG2 VAL 18 1HG2 VAL 18 9.815 12.030 -8.420 145 2HG2 VAL 18 2HG2 VAL 18 8.273 11.175 -8.389 146 3HG2 VAL 18 3HG2 VAL 18 9.777 10.275 -8.584 147 H CYS 19 H CYS 19 6.708 10.157 -4.272 148 HA CYS 19 HA CYS 19 4.759 11.655 -5.932 149 1HB CYS 19 2HB CYS 19 3.004 9.955 -5.380 150 2HB CYS 19 1HB CYS 19 4.293 9.297 -6.386 151 H ALA 20 H ALA 20 5.573 10.192 -2.793 152 HA ALA 20 HA ALA 20 3.619 11.719 -1.280 153 1HB ALA 20 1HB ALA 20 5.800 10.875 0.336 154 2HB ALA 20 2HB ALA 20 5.590 9.649 -0.916 155 3HB ALA 20 3HB ALA 20 4.241 10.074 0.137 156 H SER 21 H SER 21 4.294 13.862 -2.353 157 HA SER 21 HA SER 21 6.851 15.019 -1.468 158 1HB SER 21 2HB SER 21 4.613 15.622 -3.299 159 2HB SER 21 1HB SER 21 5.343 17.041 -2.552 160 HG SER 21 HG SER 21 6.251 15.837 -4.607 161 H GLY 22 H GLY 22 3.373 15.603 -0.853 162 1HA GLY 22 2HA GLY 22 3.941 16.410 1.894 163 2HA GLY 22 1HA GLY 22 3.441 17.755 0.867 164 H GLU 23 H GLU 23 1.425 17.062 -0.581 165 HA GLU 23 HA GLU 23 -0.718 16.424 1.299 166 1HB GLU 23 2HB GLU 23 -2.121 16.943 -0.641 167 2HB GLU 23 1HB GLU 23 -0.815 18.124 -0.536 168 1HG GLU 23 2HG GLU 23 0.468 16.912 -2.226 169 2HG GLU 23 1HG GLU 23 -0.764 15.650 -2.288 170 H LYS 24 H LYS 24 1.206 14.652 -0.991 171 HA LYS 24 HA LYS 24 -0.734 12.435 -1.229 172 1HB LYS 24 2HB LYS 24 2.005 13.118 -2.295 173 2HB LYS 24 1HB LYS 24 1.336 11.500 -2.509 174 1HG LYS 24 2HG LYS 24 -0.451 12.273 -3.825 175 2HG LYS 24 1HG LYS 24 -0.281 13.931 -3.245 176 1HD LYS 24 2HD LYS 24 1.593 14.347 -4.588 177 2HD LYS 24 1HD LYS 24 1.966 12.632 -4.765 178 1HE LYS 24 2HE LYS 24 -0.685 13.174 -5.802 179 2HE LYS 24 1HE LYS 24 0.515 14.223 -6.583 180 1HZ LYS 24 1HZ LYS 24 0.882 11.307 -6.164 181 2HZ LYS 24 2HZ LYS 24 1.891 12.348 -7.050 182 3HZ LYS 24 3HZ LYS 24 0.331 11.986 -7.618 183 H TYR 25 H TYR 25 -0.265 10.293 -0.412 184 HA TYR 25 HA TYR 25 1.923 10.117 1.623 185 1HB TYR 25 2HB TYR 25 -0.869 10.427 2.076 186 2HB TYR 25 1HB TYR 25 -0.460 8.767 2.507 187 HD1 TYR 25 HD1 TYR 25 0.647 8.290 4.533 188 HD2 TYR 25 HD2 TYR 25 0.603 12.309 3.022 189 HE1 TYR 25 HE1 TYR 25 1.678 9.094 6.641 190 HE2 TYR 25 HE2 TYR 25 1.635 13.115 5.129 191 HH TYR 25 HH TYR 25 3.152 11.982 6.980 192 H CYS 26 H CYS 26 3.020 8.185 1.414 193 HA CYS 26 HA CYS 26 2.383 6.262 -0.615 194 1HB CYS 26 2HB CYS 26 4.130 6.266 1.862 195 2HB CYS 26 1HB CYS 26 4.103 4.909 0.736 196 H PHE 27 H PHE 27 0.391 5.208 -0.456 197 HA PHE 27 HA PHE 27 -0.375 4.113 2.216 198 1HB PHE 27 2HB PHE 27 -2.614 4.304 1.448 199 2HB PHE 27 1HB PHE 27 -1.807 5.749 0.840 200 HD1 PHE 27 HD1 PHE 27 -3.198 2.453 -0.058 201 HD2 PHE 27 HD2 PHE 27 -1.314 6.022 -1.529 202 HE1 PHE 27 HE1 PHE 27 -3.789 1.808 -2.380 203 HE2 PHE 27 HE2 PHE 27 -1.903 5.376 -3.851 204 HZ PHE 27 HZ PHE 27 -3.141 3.270 -4.276 205 H LYS 28 H LYS 28 -1.038 1.948 2.402 206 HA LYS 28 HA LYS 28 -0.508 0.152 0.064 207 1HB LYS 28 2HB LYS 28 1.427 0.025 1.475 208 2HB LYS 28 1HB LYS 28 0.443 0.016 2.938 209 1HG LYS 28 2HG LYS 28 -0.560 -2.181 2.043 210 2HG LYS 28 1HG LYS 28 0.792 -2.194 0.911 211 1HD LYS 28 2HD LYS 28 1.936 -1.606 3.407 212 2HD LYS 28 1HD LYS 28 0.762 -2.883 3.729 213 1HE LYS 28 2HE LYS 28 1.756 -4.211 1.848 214 2HE LYS 28 1HE LYS 28 3.007 -2.964 1.682 215 1HZ LYS 28 1HZ LYS 28 3.400 -4.965 3.273 216 2HZ LYS 28 2HZ LYS 28 2.415 -4.079 4.337 217 3HZ LYS 28 3HZ LYS 28 3.861 -3.405 3.753 218 H GLU 29 H GLU 29 -2.402 -0.958 -0.331 219 HA GLU 29 HA GLU 29 -4.228 -1.462 1.996 220 1HB GLU 29 2HB GLU 29 -5.223 0.080 0.481 221 2HB GLU 29 1HB GLU 29 -4.682 -0.838 -0.925 222 1HG GLU 29 2HG GLU 29 -6.482 -2.201 -0.849 223 2HG GLU 29 1HG GLU 29 -6.311 -2.448 0.890 224 H SER 30 H SER 30 -4.831 -3.555 2.373 225 HA SER 30 HA SER 30 -4.309 -5.614 0.263 226 1HB SER 30 2HB SER 30 -3.321 -5.402 3.095 227 2HB SER 30 1HB SER 30 -3.590 -6.997 2.399 228 HG SER 30 HG SER 30 -1.813 -4.957 1.605 229 H TRP 31 H TRP 31 -5.854 -7.305 0.281 230 HA TRP 31 HA TRP 31 -8.023 -7.080 2.339 231 1HB TRP 31 2HB TRP 31 -8.970 -6.074 0.461 232 2HB TRP 31 1HB TRP 31 -8.052 -7.074 -0.661 233 HD1 TRP 31 HD1 TRP 31 -10.559 -7.957 2.169 234 HE1 TRP 31 HE1 TRP 31 -12.292 -9.602 1.198 235 HE3 TRP 31 HE3 TRP 31 -8.895 -8.241 -2.645 236 HZ2 TRP 31 HZ2 TRP 31 -12.893 -10.871 -1.299 237 HZ3 TRP 31 HZ3 TRP 31 -10.062 -9.671 -4.300 238 HH2 TRP 31 HH2 TRP 31 -12.056 -10.986 -3.634 239 H ARG 32 H ARG 32 -8.989 -9.064 2.937 240 HA ARG 32 HA ARG 32 -7.348 -11.459 2.524 241 1HB ARG 32 2HB ARG 32 -8.707 -10.493 4.596 242 2HB ARG 32 1HB ARG 32 -10.022 -11.427 3.881 243 1HG ARG 32 2HG ARG 32 -8.628 -13.451 3.922 244 2HG ARG 32 1HG ARG 32 -7.288 -12.526 4.601 245 1HD ARG 32 2HD ARG 32 -8.473 -12.131 6.649 246 2HD ARG 32 1HD ARG 32 -9.999 -12.712 5.953 247 HE ARG 32 HE ARG 32 -8.866 -14.967 5.742 248 1HH1 ARG 32 1HH2 ARG 32 -9.314 -14.060 8.654 249 2HH1 ARG 32 2HH2 ARG 32 -7.805 -14.526 9.365 250 1HH2 ARG 32 2HH1 ARG 32 -6.192 -14.928 6.321 251 2HH2 ARG 32 1HH1 ARG 32 -6.036 -15.016 8.043 252 H GLU 33 H GLU 33 -8.035 -13.356 1.436 253 HA GLU 33 HA GLU 33 -10.593 -13.165 -0.116 254 1HB GLU 33 2HB GLU 33 -7.927 -12.953 -1.055 255 2HB GLU 33 1HB GLU 33 -8.502 -14.545 -1.555 256 1HG GLU 33 2HG GLU 33 -10.613 -13.373 -2.388 257 2HG GLU 33 1HG GLU 33 -9.745 -11.855 -2.157 258 H ALA 34 H ALA 34 -10.557 -15.586 -1.365 259 HA ALA 34 HA ALA 34 -10.718 -17.486 0.915 260 1HB ALA 34 1HB ALA 34 -11.920 -18.834 -0.898 261 2HB ALA 34 2HB ALA 34 -11.723 -17.426 -1.942 262 3HB ALA 34 3HB ALA 34 -12.674 -17.300 -0.463 263 H ARG 35 H ARG 35 -8.514 -16.643 -1.504 264 HA ARG 35 HA ARG 35 -7.338 -19.404 -1.528 265 1HB ARG 35 2HB ARG 35 -7.371 -17.120 -3.516 266 2HB ARG 35 1HB ARG 35 -6.288 -18.501 -3.685 267 1HG ARG 35 2HG ARG 35 -8.336 -19.992 -3.522 268 2HG ARG 35 1HG ARG 35 -9.314 -18.530 -3.660 269 1HD ARG 35 2HD ARG 35 -9.164 -19.106 -5.910 270 2HD ARG 35 1HD ARG 35 -7.694 -18.122 -5.769 271 HE ARG 35 HE ARG 35 -6.433 -20.242 -5.386 272 1HH1 ARG 35 2HH1 ARG 35 -7.580 -20.382 -8.156 273 2HH1 ARG 35 1HH1 ARG 35 -8.298 -21.958 -8.169 274 1HH2 ARG 35 1HH2 ARG 35 -8.257 -22.296 -4.719 275 2HH2 ARG 35 2HH2 ARG 35 -8.682 -23.041 -6.224 276 H GLY 36 H GLY 36 -6.928 -16.198 -0.445 277 1HA GLY 36 2HA GLY 36 -4.598 -16.579 1.011 278 2HA GLY 36 1HA GLY 36 -4.028 -16.077 -0.582 279 H THR 37 H THR 37 -3.438 -13.960 -0.345 280 HA THR 37 HA THR 37 -5.538 -12.056 0.592 281 HB THR 37 HB THR 37 -3.454 -10.939 1.786 282 HG1 THR 37 HG1 THR 37 -1.973 -12.468 0.982 283 1HG2 THR 37 1HG2 THR 37 -4.685 -11.515 3.573 284 2HG2 THR 37 2HG2 THR 37 -4.084 -13.170 3.471 285 3HG2 THR 37 3HG2 THR 37 -5.536 -12.704 2.585 286 H ARG 38 H ARG 38 -5.526 -10.155 -0.606 287 HA ARG 38 HA ARG 38 -3.475 -9.944 -2.768 288 1HB ARG 38 2HB ARG 38 -6.264 -8.842 -2.334 289 2HB ARG 38 1HB ARG 38 -5.251 -8.368 -3.698 290 1HG ARG 38 2HG ARG 38 -5.528 -11.288 -3.206 291 2HG ARG 38 1HG ARG 38 -6.957 -10.454 -3.817 292 1HD ARG 38 2HD ARG 38 -4.251 -10.049 -5.108 293 2HD ARG 38 1HD ARG 38 -5.317 -11.385 -5.587 294 HE ARG 38 HE ARG 38 -6.555 -8.702 -5.467 295 1HH1 ARG 38 1HH2 ARG 38 -6.535 -11.615 -7.053 296 2HH1 ARG 38 2HH2 ARG 38 -6.637 -10.966 -8.656 297 1HH2 ARG 38 2HH1 ARG 38 -6.097 -7.691 -7.649 298 2HH2 ARG 38 1HH1 ARG 38 -6.388 -8.745 -8.993 299 H ILE 39 H ILE 39 -2.344 -7.955 -3.072 300 HA ILE 39 HA ILE 39 -2.697 -5.888 -0.934 301 HB ILE 39 HB ILE 39 -0.853 -7.519 -0.447 302 1HG1 ILE 39 2HG1 ILE 39 0.539 -4.969 -1.127 303 2HG1 ILE 39 1HG1 ILE 39 -0.869 -4.858 -0.069 304 1HG2 ILE 39 1HG2 ILE 39 -0.302 -7.004 -3.232 305 2HG2 ILE 39 2HG2 ILE 39 0.420 -8.212 -2.169 306 3HG2 ILE 39 3HG2 ILE 39 1.112 -6.592 -2.261 307 1HD1 ILE 39 1HD1 ILE 39 0.424 -5.516 1.649 308 2HD1 ILE 39 2HD1 ILE 39 1.791 -5.773 0.564 309 3HD1 ILE 39 3HD1 ILE 39 0.633 -7.073 0.847 310 H GLU 40 H GLU 40 -2.010 -3.753 -1.594 311 HA GLU 40 HA GLU 40 -1.166 -3.375 -4.415 312 1HB GLU 40 2HB GLU 40 -3.666 -3.563 -4.324 313 2HB GLU 40 1HB GLU 40 -3.693 -2.175 -3.236 314 1HG GLU 40 2HG GLU 40 -3.030 -0.685 -4.895 315 2HG GLU 40 1HG GLU 40 -2.243 -1.941 -5.851 316 H ARG 41 H ARG 41 0.251 -1.660 -4.498 317 HA ARG 41 HA ARG 41 0.337 0.184 -2.137 318 1HB ARG 41 2HB ARG 41 2.253 -1.438 -3.466 319 2HB ARG 41 1HB ARG 41 2.679 0.237 -3.817 320 1HG ARG 41 2HG ARG 41 1.898 -0.173 -1.023 321 2HG ARG 41 1HG ARG 41 3.313 -1.118 -1.487 322 1HD ARG 41 2HD ARG 41 3.944 1.257 -2.648 323 2HD ARG 41 1HD ARG 41 3.017 1.824 -1.246 324 HE ARG 41 HE ARG 41 5.398 0.020 -1.066 325 1HH1 ARG 41 1HH2 ARG 41 5.202 3.006 -0.223 326 2HH1 ARG 41 2HH2 ARG 41 5.099 2.829 1.497 327 1HH2 ARG 41 2HH1 ARG 41 4.371 -0.558 1.371 328 2HH2 ARG 41 1HH1 ARG 41 4.632 0.812 2.399 329 H GLY 42 H GLY 42 0.974 2.450 -2.656 330 1HA GLY 42 2HA GLY 42 1.146 3.576 -5.224 331 2HA GLY 42 1HA GLY 42 -0.573 3.538 -4.826 332 H CYS 43 H CYS 43 -0.139 5.987 -4.990 333 HA CYS 43 HA CYS 43 0.731 7.001 -2.301 334 1HB CYS 43 2HB CYS 43 1.766 7.484 -4.896 335 2HB CYS 43 1HB CYS 43 0.924 8.958 -4.416 336 H ALA 44 H ALA 44 -1.010 7.848 -1.236 337 HA ALA 44 HA ALA 44 -2.885 9.635 -2.643 338 1HB ALA 44 1HB ALA 44 -4.749 8.239 -2.519 339 2HB ALA 44 2HB ALA 44 -4.082 7.305 -1.179 340 3HB ALA 44 3HB ALA 44 -3.479 7.052 -2.817 341 H ALA 45 H ALA 45 -4.825 9.938 -0.777 342 HA ALA 45 HA ALA 45 -3.353 10.446 1.790 343 1HB ALA 45 1HB ALA 45 -4.770 12.181 -0.087 344 2HB ALA 45 2HB ALA 45 -3.679 12.617 1.229 345 3HB ALA 45 3HB ALA 45 -5.389 12.338 1.558 346 H THR 46 H THR 46 -6.005 8.930 0.288 347 HA THR 46 HA THR 46 -8.083 9.147 2.212 348 HB THR 46 HB THR 46 -7.344 6.656 0.658 349 HG1 THR 46 HG1 THR 46 -7.875 7.650 -1.141 350 1HG2 THR 46 1HG2 THR 46 -9.324 6.647 2.206 351 2HG2 THR 46 2HG2 THR 46 -9.742 6.357 0.518 352 3HG2 THR 46 3HG2 THR 46 -10.024 7.943 1.237 353 H CYS 47 H CYS 47 -5.945 6.290 1.877 354 HA CYS 47 HA CYS 47 -5.188 4.769 3.524 355 1HB CYS 47 2HB CYS 47 -3.843 6.768 4.005 356 2HB CYS 47 1HB CYS 47 -5.137 7.415 5.012 357 HA PRO 48 HA PRO 48 -9.385 4.924 5.601 358 1HB PRO 48 2HB PRO 48 -10.459 2.734 4.361 359 2HB PRO 48 1HB PRO 48 -10.598 4.378 3.708 360 1HG PRO 48 2HG PRO 48 -8.774 2.173 2.909 361 2HG PRO 48 1HG PRO 48 -9.578 3.392 1.910 362 1HD PRO 48 2HD PRO 48 -6.939 3.506 2.646 363 2HD PRO 48 1HD PRO 48 -7.919 4.928 2.225 364 H LYS 49 H LYS 49 -10.452 2.448 6.303 365 HA LYS 49 HA LYS 49 -8.140 1.102 7.665 366 1HB LYS 49 2HB LYS 49 -11.012 1.440 8.588 367 2HB LYS 49 1HB LYS 49 -9.675 0.791 9.540 368 1HG LYS 49 2HG LYS 49 -8.875 2.854 10.030 369 2HG LYS 49 1HG LYS 49 -9.110 3.430 8.380 370 1HD LYS 49 2HD LYS 49 -10.756 4.691 9.335 371 2HD LYS 49 1HD LYS 49 -11.696 3.206 9.188 372 1HE LYS 49 2HE LYS 49 -11.594 2.760 11.451 373 2HE LYS 49 1HE LYS 49 -9.988 3.497 11.626 374 1HZ LYS 49 1HZ LYS 49 -11.718 4.910 12.586 375 2HZ LYS 49 2HZ LYS 49 -12.510 4.976 11.085 376 3HZ LYS 49 3HZ LYS 49 -10.970 5.668 11.267 377 H GLY 50 H GLY 50 -10.265 -0.827 8.702 378 1HA GLY 50 2HA GLY 50 -10.882 -2.307 6.193 379 2HA GLY 50 1HA GLY 50 -9.977 -3.127 7.466 380 H SER 51 H SER 51 -12.021 -4.553 7.232 381 HA SER 51 HA SER 51 -13.953 -3.684 9.329 382 1HB SER 51 2HB SER 51 -15.757 -3.751 7.900 383 2HB SER 51 1HB SER 51 -14.522 -3.348 6.709 384 HG SER 51 HG SER 51 -14.282 -5.656 6.414 385 H VAL 52 H VAL 52 -15.613 -5.789 9.435 386 HA VAL 52 HA VAL 52 -14.335 -7.863 10.746 387 HB VAL 52 HB VAL 52 -16.781 -7.807 8.965 388 1HG1 VAL 52 1HG1 VAL 52 -16.730 -10.070 9.029 389 2HG1 VAL 52 2HG1 VAL 52 -17.107 -9.911 10.745 390 3HG1 VAL 52 3HG1 VAL 52 -15.431 -10.084 10.223 391 1HG2 VAL 52 1HG2 VAL 52 -16.187 -6.838 11.561 392 2HG2 VAL 52 2HG2 VAL 52 -17.214 -8.253 11.784 393 3HG2 VAL 52 3HG2 VAL 52 -17.768 -6.911 10.783 394 H TYR 53 H TYR 53 -14.601 -7.399 7.258 395 HA TYR 53 HA TYR 53 -13.866 -9.989 6.354 396 1HB TYR 53 2HB TYR 53 -13.977 -7.221 5.385 397 2HB TYR 53 1HB TYR 53 -12.726 -8.175 4.588 398 HD1 TYR 53 HD1 TYR 53 -16.335 -7.783 5.156 399 HD2 TYR 53 HD2 TYR 53 -13.300 -10.182 3.291 400 HE1 TYR 53 HE1 TYR 53 -18.068 -8.912 3.788 401 HE2 TYR 53 HE2 TYR 53 -15.033 -11.311 1.922 402 HH TYR 53 HH TYR 53 -17.337 -11.713 1.843 403 H GLY 54 H GLY 54 -11.670 -7.158 6.539 404 1HA GLY 54 2HA GLY 54 -9.600 -7.670 8.035 405 2HA GLY 54 1HA GLY 54 -9.418 -9.066 6.971 406 H LEU 55 H LEU 55 -9.951 -5.536 6.627 407 HA LEU 55 HA LEU 55 -8.306 -5.563 4.154 408 1HB LEU 55 2HB LEU 55 -10.482 -4.035 5.316 409 2HB LEU 55 1HB LEU 55 -9.180 -2.962 4.803 410 HG LEU 55 HG LEU 55 -9.274 -4.642 2.675 411 1HD1 LEU 55 1HD1 LEU 55 -11.266 -5.678 2.396 412 2HD1 LEU 55 2HD1 LEU 55 -12.167 -4.257 2.920 413 3HD1 LEU 55 3HD1 LEU 55 -11.526 -5.383 4.115 414 1HD2 LEU 55 1HD2 LEU 55 -9.994 -2.775 1.538 415 2HD2 LEU 55 2HD2 LEU 55 -9.658 -2.006 3.089 416 3HD2 LEU 55 3HD2 LEU 55 -11.309 -2.465 2.673 417 H TYR 56 H TYR 56 -6.122 -5.375 4.509 418 HA TYR 56 HA TYR 56 -5.120 -3.893 6.874 419 1HB TYR 56 2HB TYR 56 -4.032 -5.766 4.786 420 2HB TYR 56 1HB TYR 56 -2.916 -4.796 5.748 421 HD1 TYR 56 HD1 TYR 56 -6.075 -6.738 6.363 422 HD2 TYR 56 HD2 TYR 56 -2.059 -5.877 7.618 423 HE1 TYR 56 HE1 TYR 56 -6.325 -8.326 8.252 424 HE2 TYR 56 HE2 TYR 56 -2.309 -7.464 9.507 425 HH TYR 56 HH TYR 56 -5.164 -9.507 9.824 426 H VAL 57 H VAL 57 -5.483 -1.687 6.303 427 HA VAL 57 HA VAL 57 -4.095 -0.729 3.822 428 HB VAL 57 HB VAL 57 -6.296 0.548 5.478 429 1HG1 VAL 57 1HG1 VAL 57 -6.479 1.657 3.029 430 2HG1 VAL 57 2HG1 VAL 57 -4.748 1.317 3.054 431 3HG1 VAL 57 3HG1 VAL 57 -5.464 2.337 4.302 432 1HG2 VAL 57 1HG2 VAL 57 -6.580 -1.715 3.995 433 2HG2 VAL 57 2HG2 VAL 57 -6.831 -0.491 2.750 434 3HG2 VAL 57 3HG2 VAL 57 -7.858 -0.514 4.184 435 H LEU 58 H LEU 58 -2.696 1.095 4.029 436 HA LEU 58 HA LEU 58 -2.294 2.322 6.687 437 1HB LEU 58 2HB LEU 58 -0.713 0.120 5.596 438 2HB LEU 58 1HB LEU 58 0.284 1.520 5.990 439 HG LEU 58 HG LEU 58 -1.481 1.324 8.141 440 1HD1 LEU 58 1HD1 LEU 58 -0.315 -1.418 7.794 441 2HD1 LEU 58 2HD1 LEU 58 -1.860 -1.044 7.028 442 3HD1 LEU 58 3HD1 LEU 58 -1.686 -0.903 8.778 443 1HD2 LEU 58 1HD2 LEU 58 1.127 -0.067 8.388 444 2HD2 LEU 58 2HD2 LEU 58 0.478 1.281 9.322 445 3HD2 LEU 58 3HD2 LEU 58 1.198 1.572 7.739 446 H CYS 59 H CYS 59 -0.715 4.132 6.550 447 HA CYS 59 HA CYS 59 -0.010 5.016 3.794 448 1HB CYS 59 2HB CYS 59 -0.971 7.316 4.566 449 2HB CYS 59 1HB CYS 59 -2.104 6.076 4.040 450 H CYS 60 H CYS 60 1.761 6.506 3.778 451 HA CYS 60 HA CYS 60 2.884 7.474 6.320 452 1HB CYS 60 2HB CYS 60 3.526 4.912 5.340 453 2HB CYS 60 1HB CYS 60 4.906 5.928 4.941 454 H THR 61 H THR 61 5.374 8.155 5.598 455 HA THR 61 HA THR 61 4.965 10.130 3.469 456 HB THR 61 HB THR 61 7.404 10.646 4.390 457 HG1 THR 61 HG1 THR 61 7.259 8.535 5.524 458 1HG2 THR 61 1HG2 THR 61 6.337 11.861 6.301 459 2HG2 THR 61 2HG2 THR 61 4.840 10.990 5.965 460 3HG2 THR 61 3HG2 THR 61 5.499 12.104 4.768 461 H THR 62 H THR 62 7.640 10.362 2.578 462 HA THR 62 HA THR 62 7.758 8.523 0.418 463 HB THR 62 HB THR 62 10.316 9.418 0.702 464 HG1 THR 62 HG1 THR 62 8.907 11.541 1.796 465 1HG2 THR 62 1HG2 THR 62 8.988 9.963 -1.212 466 2HG2 THR 62 2HG2 THR 62 9.476 11.499 -0.497 467 3HG2 THR 62 3HG2 THR 62 7.844 10.885 -0.235 468 H ASP 63 H ASP 63 10.129 7.339 0.192 469 HA ASP 63 HA ASP 63 11.028 5.181 0.712 470 1HB ASP 63 2HB ASP 63 12.011 7.388 2.096 471 2HB ASP 63 1HB ASP 63 11.809 6.168 3.353 472 H ASP 64 H ASP 64 8.637 4.370 1.017 473 HA ASP 64 HA ASP 64 7.172 2.993 2.268 474 1HB ASP 64 2HB ASP 64 9.324 1.828 2.650 475 2HB ASP 64 1HB ASP 64 9.627 2.858 4.050 476 H CYS 65 H CYS 65 9.034 4.456 4.990 477 HA CYS 65 HA CYS 65 6.559 5.940 5.776 478 1HB CYS 65 2HB CYS 65 8.042 3.773 7.126 479 2HB CYS 65 1HB CYS 65 7.692 5.159 8.157 480 H ASN 66 HN ASN 66 9.192 6.687 4.500 481 HA ASN 66 HA ASN 66 11.127 7.871 6.057 482 1HB ASN 66 2HB ASN 66 10.679 7.877 3.517 483 2HB ASN 66 1HB ASN 66 9.735 9.336 3.808 484 1HD2 ASN 66 1HD2 ASN 66 12.031 9.522 2.204 485 2HD2 ASN 66 2HD2 ASN 66 13.242 10.369 3.039 Start of MODEL 3 1 1H MET 1 1H MET 1 11.918 11.938 -1.158 2 2H MET 1 2H MET 1 12.924 11.306 -2.372 3 3H MET 1 3H MET 1 13.529 11.546 -0.802 4 HA MET 1 HA MET 1 13.134 9.290 -0.744 5 1HB MET 1 2HB MET 1 10.939 11.046 0.238 6 2HB MET 1 1HB MET 1 10.621 9.311 0.255 7 1HG MET 1 2HG MET 1 11.862 9.111 2.118 8 2HG MET 1 1HG MET 1 13.268 9.699 1.231 9 1HE MET 1 1HE MET 1 9.978 10.569 2.402 10 2HE MET 1 2HE MET 1 9.968 12.327 2.524 11 3HE MET 1 3HE MET 1 10.328 11.354 3.948 12 H LYS 2 H LYS 2 11.287 7.544 -1.139 13 HA LYS 2 HA LYS 2 9.723 8.078 -3.603 14 1HB LYS 2 2HB LYS 2 11.932 6.014 -3.358 15 2HB LYS 2 1HB LYS 2 10.825 6.136 -4.723 16 1HG LYS 2 2HG LYS 2 11.636 8.642 -4.779 17 2HG LYS 2 1HG LYS 2 13.027 8.003 -3.903 18 1HD LYS 2 2HD LYS 2 13.344 6.307 -5.693 19 2HD LYS 2 1HD LYS 2 12.002 7.027 -6.585 20 1HE LYS 2 2HE LYS 2 13.229 9.187 -6.675 21 2HE LYS 2 1HE LYS 2 14.594 8.426 -5.833 22 1HZ LYS 2 1HZ LYS 2 13.546 7.891 -8.527 23 2HZ LYS 2 2HZ LYS 2 14.278 6.624 -7.663 24 3HZ LYS 2 3HZ LYS 2 15.155 8.036 -8.013 25 H CYS 3 H CYS 3 8.377 6.094 -4.143 26 HA CYS 3 HA CYS 3 7.834 4.404 -1.726 27 1HB CYS 3 2HB CYS 3 6.254 6.282 -1.843 28 2HB CYS 3 1HB CYS 3 5.877 5.883 -3.518 29 H LYS 4 H LYS 4 8.424 2.386 -2.490 30 HA LYS 4 HA LYS 4 8.113 1.618 -5.291 31 1HB LYS 4 2HB LYS 4 9.131 -0.446 -4.506 32 2HB LYS 4 1HB LYS 4 9.938 0.906 -3.710 33 1HG LYS 4 2HG LYS 4 8.327 0.587 -1.773 34 2HG LYS 4 1HG LYS 4 7.819 -0.915 -2.546 35 1HD LYS 4 2HD LYS 4 9.629 -1.997 -1.766 36 2HD LYS 4 1HD LYS 4 10.703 -0.778 -2.454 37 1HE LYS 4 2HE LYS 4 11.051 0.156 -0.417 38 2HE LYS 4 1HE LYS 4 9.306 0.243 -0.102 39 1HZ LYS 4 1HZ LYS 4 10.512 -2.411 -0.119 40 2HZ LYS 4 2HZ LYS 4 9.273 -1.788 0.864 41 3HZ LYS 4 3HZ LYS 4 10.898 -1.422 1.203 42 H ILE 5 H ILE 5 6.191 0.928 -6.132 43 HA ILE 5 HA ILE 5 4.089 -0.106 -4.291 44 HB ILE 5 HB ILE 5 3.984 0.654 -7.228 45 1HG1 ILE 5 2HG1 ILE 5 3.309 2.317 -4.778 46 2HG1 ILE 5 1HG1 ILE 5 4.744 2.535 -5.781 47 1HG2 ILE 5 1HG2 ILE 5 2.039 -0.302 -5.227 48 2HG2 ILE 5 2HG2 ILE 5 1.950 -0.336 -6.989 49 3HG2 ILE 5 3HG2 ILE 5 1.522 1.134 -6.113 50 1HD1 ILE 5 1HD1 ILE 5 2.743 4.055 -6.305 51 2HD1 ILE 5 2HD1 ILE 5 1.958 2.612 -6.946 52 3HD1 ILE 5 3HD1 ILE 5 3.457 3.195 -7.668 53 H CYS 6 H CYS 6 3.536 -2.258 -4.312 54 HA CYS 6 HA CYS 6 4.004 -3.948 -6.673 55 1HB CYS 6 2HB CYS 6 5.930 -3.658 -4.539 56 2HB CYS 6 1HB CYS 6 5.322 -5.313 -4.570 57 H ASN 7 H ASN 7 3.379 -6.313 -6.049 58 HA ASN 7 HA ASN 7 0.827 -6.220 -4.604 59 1HB ASN 7 2HB ASN 7 2.093 -7.727 -6.651 60 2HB ASN 7 1HB ASN 7 1.717 -8.858 -5.350 61 1HD2 ASN 7 1HD2 ASN 7 -0.054 -9.833 -6.584 62 2HD2 ASN 7 2HD2 ASN 7 -1.513 -9.002 -6.834 63 H PHE 8 H PHE 8 3.855 -6.302 -3.433 64 HA PHE 8 HA PHE 8 4.833 -7.105 -1.438 65 1HB PHE 8 2HB PHE 8 2.136 -6.388 -1.048 66 2HB PHE 8 1HB PHE 8 2.347 -7.908 -0.177 67 HD1 PHE 8 HD1 PHE 8 3.658 -8.030 1.816 68 HD2 PHE 8 HD2 PHE 8 3.682 -4.459 -0.571 69 HE1 PHE 8 HE1 PHE 8 4.869 -6.832 3.619 70 HE2 PHE 8 HE2 PHE 8 4.892 -3.261 1.231 71 HZ PHE 8 HZ PHE 8 5.487 -4.448 3.326 72 H ASP 9 H ASP 9 5.418 -9.089 -0.382 73 HA ASP 9 HA ASP 9 5.557 -11.438 -0.096 74 1HB ASP 9 2HB ASP 9 2.873 -10.829 -0.467 75 2HB ASP 9 1HB ASP 9 3.176 -12.073 -1.680 76 H THR 10 H THR 10 4.459 -10.404 -3.368 77 HA THR 10 HA THR 10 6.608 -12.147 -4.496 78 HB THR 10 HB THR 10 4.269 -13.176 -4.506 79 HG1 THR 10 HG1 THR 10 5.000 -14.162 -6.192 80 1HG2 THR 10 1HG2 THR 10 2.535 -12.178 -5.620 81 2HG2 THR 10 2HG2 THR 10 3.596 -11.433 -6.816 82 3HG2 THR 10 3HG2 THR 10 3.430 -10.714 -5.214 83 H CYS 11 H CYS 11 6.618 -9.281 -4.074 84 HA CYS 11 HA CYS 11 7.253 -8.396 -6.781 85 1HB CYS 11 2HB CYS 11 4.717 -8.339 -6.580 86 2HB CYS 11 1HB CYS 11 4.921 -7.096 -5.345 87 H ARG 12 H ARG 12 8.917 -6.952 -6.520 88 HA ARG 12 HA ARG 12 9.214 -5.607 -3.866 89 1HB ARG 12 2HB ARG 12 11.023 -6.678 -5.988 90 2HB ARG 12 1HB ARG 12 11.604 -5.313 -5.031 91 1HG ARG 12 2HG ARG 12 10.331 -7.535 -3.520 92 2HG ARG 12 1HG ARG 12 11.905 -7.878 -4.239 93 1HD ARG 12 2HD ARG 12 11.427 -5.372 -2.607 94 2HD ARG 12 1HD ARG 12 11.946 -6.895 -1.861 95 HE ARG 12 HE ARG 12 13.477 -5.765 -4.164 96 1HH1 ARG 12 1HH2 ARG 12 13.522 -5.354 -0.898 97 2HH1 ARG 12 2HH2 ARG 12 15.087 -6.042 -0.623 98 1HH2 ARG 12 2HH1 ARG 12 15.380 -7.324 -3.831 99 2HH2 ARG 12 1HH1 ARG 12 16.139 -7.158 -2.283 100 H ALA 13 H ALA 13 10.884 -4.555 -6.737 101 HA ALA 13 HA ALA 13 9.565 -1.894 -6.493 102 1HB ALA 13 1HB ALA 13 11.784 -1.396 -6.557 103 2HB ALA 13 2HB ALA 13 11.663 -1.703 -8.290 104 3HB ALA 13 3HB ALA 13 12.201 -2.983 -7.203 105 H GLY 14 H GLY 14 7.602 -2.783 -7.636 106 1HA GLY 14 2HA GLY 14 8.019 -3.311 -10.530 107 2HA GLY 14 1HA GLY 14 6.516 -3.588 -9.645 108 H GLU 15 H GLU 15 6.440 -1.049 -8.309 109 HA GLU 15 HA GLU 15 6.309 0.928 -10.542 110 1HB GLU 15 2HB GLU 15 4.093 -0.381 -9.066 111 2HB GLU 15 1HB GLU 15 3.939 1.365 -9.261 112 1HG GLU 15 2HG GLU 15 3.215 1.005 -11.362 113 2HG GLU 15 1HG GLU 15 4.825 0.400 -11.757 114 H LEU 16 H LEU 16 8.213 1.642 -9.107 115 HA LEU 16 HA LEU 16 7.431 2.828 -6.513 116 1HB LEU 16 2HB LEU 16 9.519 1.653 -6.584 117 2HB LEU 16 1HB LEU 16 10.013 2.493 -8.056 118 HG LEU 16 HG LEU 16 9.374 4.420 -6.006 119 1HD1 LEU 16 1HD1 LEU 16 9.938 2.858 -4.311 120 2HD1 LEU 16 2HD1 LEU 16 11.420 3.779 -4.570 121 3HD1 LEU 16 3HD1 LEU 16 11.249 2.168 -5.269 122 1HD2 LEU 16 1HD2 LEU 16 11.168 4.054 -8.122 123 2HD2 LEU 16 2HD2 LEU 16 12.192 4.103 -6.687 124 3HD2 LEU 16 3HD2 LEU 16 11.104 5.445 -7.039 125 H LYS 17 H LYS 17 7.400 5.064 -6.126 126 HA LYS 17 HA LYS 17 8.009 6.903 -8.386 127 1HB LYS 17 2HB LYS 17 5.448 5.968 -7.718 128 2HB LYS 17 1HB LYS 17 5.531 7.582 -7.011 129 1HG LYS 17 2HG LYS 17 6.652 8.085 -9.421 130 2HG LYS 17 1HG LYS 17 5.578 6.760 -9.866 131 1HD LYS 17 2HD LYS 17 4.824 9.382 -8.555 132 2HD LYS 17 1HD LYS 17 4.309 8.779 -10.131 133 1HE LYS 17 2HE LYS 17 3.327 6.766 -8.769 134 2HE LYS 17 1HE LYS 17 3.426 7.884 -7.393 135 1HZ LYS 17 1HZ LYS 17 2.432 9.531 -9.157 136 2HZ LYS 17 2HZ LYS 17 1.421 8.509 -8.253 137 3HZ LYS 17 3HZ LYS 17 1.839 8.101 -9.849 138 H VAL 18 H VAL 18 6.624 9.070 -6.847 139 HA VAL 18 HA VAL 18 8.510 9.269 -4.525 140 HB VAL 18 HB VAL 18 8.515 11.745 -5.217 141 1HG1 VAL 18 1HG1 VAL 18 9.872 9.433 -6.369 142 2HG1 VAL 18 2HG1 VAL 18 10.542 10.990 -5.880 143 3HG1 VAL 18 3HG1 VAL 18 9.835 10.797 -7.485 144 1HG2 VAL 18 1HG2 VAL 18 7.613 12.384 -7.256 145 2HG2 VAL 18 2HG2 VAL 18 6.454 11.141 -6.788 146 3HG2 VAL 18 3HG2 VAL 18 7.738 10.762 -7.936 147 H CYS 19 H CYS 19 7.528 9.878 -2.619 148 HA CYS 19 HA CYS 19 4.915 11.298 -2.697 149 1HB CYS 19 2HB CYS 19 4.926 8.613 -2.655 150 2HB CYS 19 1HB CYS 19 5.144 8.900 -0.929 151 H ALA 20 H ALA 20 4.242 11.418 -0.130 152 HA ALA 20 HA ALA 20 4.789 12.509 1.896 153 1HB ALA 20 1HB ALA 20 7.375 10.967 1.582 154 2HB ALA 20 2HB ALA 20 5.852 10.177 1.988 155 3HB ALA 20 3HB ALA 20 6.538 11.380 3.079 156 H SER 21 H SER 21 5.677 13.751 -0.719 157 HA SER 21 HA SER 21 8.128 15.209 0.174 158 1HB SER 21 2HB SER 21 7.692 13.989 -2.127 159 2HB SER 21 1HB SER 21 6.804 15.460 -2.514 160 HG SER 21 HG SER 21 8.633 16.484 -2.681 161 H GLY 22 H GLY 22 4.774 15.705 -0.903 162 1HA GLY 22 2HA GLY 22 4.983 18.520 0.094 163 2HA GLY 22 1HA GLY 22 4.008 18.087 -1.311 164 H GLU 23 H GLU 23 1.961 17.201 -0.986 165 HA GLU 23 HA GLU 23 1.107 16.865 1.873 166 1HB GLU 23 2HB GLU 23 0.309 18.728 -0.134 167 2HB GLU 23 1HB GLU 23 -1.049 17.635 0.138 168 1HG GLU 23 2HG GLU 23 -0.084 18.161 2.702 169 2HG GLU 23 1HG GLU 23 0.018 19.717 1.877 170 H LYS 24 H LYS 24 1.917 14.570 0.784 171 HA LYS 24 HA LYS 24 -0.575 13.056 0.383 172 1HB LYS 24 2HB LYS 24 0.389 12.115 -1.800 173 2HB LYS 24 1HB LYS 24 -0.200 13.776 -1.870 174 1HG LYS 24 2HG LYS 24 2.054 14.645 -1.632 175 2HG LYS 24 1HG LYS 24 2.693 13.021 -1.373 176 1HD LYS 24 2HD LYS 24 2.892 12.717 -3.591 177 2HD LYS 24 1HD LYS 24 1.170 13.032 -3.804 178 1HE LYS 24 2HE LYS 24 1.504 15.263 -4.340 179 2HE LYS 24 1HE LYS 24 2.981 15.380 -3.364 180 1HZ LYS 24 1HZ LYS 24 3.793 13.567 -5.045 181 2HZ LYS 24 2HZ LYS 24 3.885 15.216 -5.444 182 3HZ LYS 24 3HZ LYS 24 2.618 14.260 -6.052 183 H TYR 25 H TYR 25 -0.064 10.660 0.269 184 HA TYR 25 HA TYR 25 2.652 9.890 1.180 185 1HB TYR 25 2HB TYR 25 1.459 8.692 3.148 186 2HB TYR 25 1HB TYR 25 1.676 10.436 3.268 187 HD1 TYR 25 HD1 TYR 25 -0.784 8.071 1.680 188 HD2 TYR 25 HD2 TYR 25 -0.173 11.608 4.041 189 HE1 TYR 25 HE1 TYR 25 -3.238 8.361 1.884 190 HE2 TYR 25 HE2 TYR 25 -2.627 11.897 4.244 191 HH TYR 25 HH TYR 25 -4.713 10.054 4.079 192 H CYS 26 H CYS 26 2.491 7.340 1.693 193 HA CYS 26 HA CYS 26 0.995 6.140 -0.615 194 1HB CYS 26 2HB CYS 26 3.660 5.879 0.568 195 2HB CYS 26 1HB CYS 26 2.882 4.317 0.327 196 H PHE 27 H PHE 27 -0.630 4.700 -0.137 197 HA PHE 27 HA PHE 27 -0.828 3.720 2.690 198 1HB PHE 27 2HB PHE 27 -3.203 3.856 2.397 199 2HB PHE 27 1HB PHE 27 -2.545 5.340 1.711 200 HD1 PHE 27 HD1 PHE 27 -2.390 5.640 -0.740 201 HD2 PHE 27 HD2 PHE 27 -4.193 2.148 0.994 202 HE1 PHE 27 HE1 PHE 27 -3.421 5.087 -2.927 203 HE2 PHE 27 HE2 PHE 27 -5.224 1.595 -1.192 204 HZ PHE 27 HZ PHE 27 -4.839 3.064 -3.153 205 H LYS 28 H LYS 28 -0.394 1.567 2.866 206 HA LYS 28 HA LYS 28 -0.527 -0.181 0.482 207 1HB LYS 28 2HB LYS 28 1.408 -0.282 1.958 208 2HB LYS 28 1HB LYS 28 0.370 -0.545 3.360 209 1HG LYS 28 2HG LYS 28 -0.054 -2.467 1.164 210 2HG LYS 28 1HG LYS 28 1.544 -2.553 1.907 211 1HD LYS 28 2HD LYS 28 -0.893 -2.392 3.656 212 2HD LYS 28 1HD LYS 28 -0.433 -3.939 2.943 213 1HE LYS 28 2HE LYS 28 1.799 -2.430 4.180 214 2HE LYS 28 1HE LYS 28 0.573 -3.039 5.311 215 1HZ LYS 28 1HZ LYS 28 0.825 -5.210 4.534 216 2HZ LYS 28 2HZ LYS 28 2.422 -4.639 4.626 217 3HZ LYS 28 3HZ LYS 28 1.633 -4.725 3.124 218 H GLU 29 H GLU 29 -2.374 -1.333 0.060 219 HA GLU 29 HA GLU 29 -4.254 -1.865 2.337 220 1HB GLU 29 2HB GLU 29 -4.810 -0.325 0.306 221 2HB GLU 29 1HB GLU 29 -4.965 -1.834 -0.593 222 1HG GLU 29 2HG GLU 29 -6.340 -1.932 1.984 223 2HG GLU 29 1HG GLU 29 -6.958 -0.651 0.940 224 H SER 30 H SER 30 -4.243 -3.994 2.918 225 HA SER 30 HA SER 30 -3.552 -6.040 0.844 226 1HB SER 30 2HB SER 30 -2.093 -5.859 2.833 227 2HB SER 30 1HB SER 30 -3.488 -6.100 3.880 228 HG SER 30 HG SER 30 -3.363 -8.162 3.507 229 H TRP 31 H TRP 31 -5.479 -6.780 -0.019 230 HA TRP 31 HA TRP 31 -7.939 -6.928 1.560 231 1HB TRP 31 2HB TRP 31 -7.255 -6.667 -1.090 232 2HB TRP 31 1HB TRP 31 -7.744 -8.359 -1.014 233 HD1 TRP 31 HD1 TRP 31 -10.119 -8.499 0.777 234 HE1 TRP 31 HE1 TRP 31 -12.305 -7.205 0.345 235 HE3 TRP 31 HE3 TRP 31 -8.367 -4.802 -2.280 236 HZ2 TRP 31 HZ2 TRP 31 -13.195 -4.905 -1.105 237 HZ3 TRP 31 HZ3 TRP 31 -9.904 -3.074 -3.171 238 HH2 TRP 31 HH2 TRP 31 -12.314 -3.122 -2.589 239 H ARG 32 H ARG 32 -8.456 -8.646 2.849 240 HA ARG 32 HA ARG 32 -6.948 -11.199 2.525 241 1HB ARG 32 2HB ARG 32 -7.744 -9.571 4.682 242 2HB ARG 32 1HB ARG 32 -8.763 -11.007 4.788 243 1HG ARG 32 2HG ARG 32 -6.603 -12.362 4.453 244 2HG ARG 32 1HG ARG 32 -5.746 -10.858 4.794 245 1HD ARG 32 2HD ARG 32 -6.231 -10.959 7.022 246 2HD ARG 32 1HD ARG 32 -7.899 -11.486 6.721 247 HE ARG 32 HE ARG 32 -5.570 -13.254 7.024 248 1HH1 ARG 32 1HH2 ARG 32 -8.233 -13.848 8.222 249 2HH1 ARG 32 2HH2 ARG 32 -8.853 -15.072 7.166 250 1HH2 ARG 32 2HH1 ARG 32 -6.597 -14.392 4.622 251 2HH2 ARG 32 1HH1 ARG 32 -7.928 -15.379 5.128 252 H GLU 33 H GLU 33 -8.000 -12.684 1.246 253 HA GLU 33 HA GLU 33 -10.995 -12.790 1.390 254 1HB GLU 33 2HB GLU 33 -8.979 -12.884 -0.764 255 2HB GLU 33 1HB GLU 33 -10.254 -14.095 -0.910 256 1HG GLU 33 2HG GLU 33 -11.940 -12.495 -1.092 257 2HG GLU 33 1HG GLU 33 -10.992 -11.257 -0.268 258 H ALA 34 H ALA 34 -11.487 -15.234 0.325 259 HA ALA 34 HA ALA 34 -10.352 -17.080 2.367 260 1HB ALA 34 1HB ALA 34 -12.876 -16.568 1.693 261 2HB ALA 34 2HB ALA 34 -12.381 -18.196 2.158 262 3HB ALA 34 3HB ALA 34 -12.549 -17.777 0.453 263 H ARG 35 H ARG 35 -9.674 -16.206 -0.777 264 HA ARG 35 HA ARG 35 -8.757 -18.973 -1.491 265 1HB ARG 35 2HB ARG 35 -8.875 -17.936 -3.855 266 2HB ARG 35 1HB ARG 35 -10.409 -18.258 -3.046 267 1HG ARG 35 2HG ARG 35 -10.613 -15.940 -2.376 268 2HG ARG 35 1HG ARG 35 -8.993 -15.580 -2.973 269 1HD ARG 35 2HD ARG 35 -9.981 -16.533 -5.254 270 2HD ARG 35 1HD ARG 35 -11.518 -16.031 -4.520 271 HE ARG 35 HE ARG 35 -9.528 -13.978 -4.167 272 1HH1 ARG 35 1HH2 ARG 35 -10.148 -15.357 -7.087 273 2HH1 ARG 35 2HH2 ARG 35 -10.937 -13.991 -7.802 274 1HH2 ARG 35 2HH1 ARG 35 -11.178 -12.235 -4.822 275 2HH2 ARG 35 1HH1 ARG 35 -11.518 -12.223 -6.520 276 H GLY 36 H GLY 36 -7.862 -15.611 -1.080 277 1HA GLY 36 2HA GLY 36 -5.123 -16.053 -0.725 278 2HA GLY 36 1HA GLY 36 -5.325 -15.757 -2.453 279 H THR 37 H THR 37 -4.546 -14.211 0.315 280 HA THR 37 HA THR 37 -6.115 -11.758 0.010 281 HB THR 37 HB THR 37 -5.169 -12.677 2.153 282 HG1 THR 37 HG1 THR 37 -4.616 -10.110 1.186 283 1HG2 THR 37 1HG2 THR 37 -2.529 -11.726 1.014 284 2HG2 THR 37 2HG2 THR 37 -3.009 -13.419 1.114 285 3HG2 THR 37 3HG2 THR 37 -2.794 -12.476 2.588 286 H ARG 38 H ARG 38 -5.374 -9.808 -0.921 287 HA ARG 38 HA ARG 38 -2.812 -10.000 -2.479 288 1HB ARG 38 2HB ARG 38 -5.600 -9.274 -3.155 289 2HB ARG 38 1HB ARG 38 -4.373 -8.193 -3.819 290 1HG ARG 38 2HG ARG 38 -3.285 -9.963 -4.975 291 2HG ARG 38 1HG ARG 38 -4.152 -11.196 -4.059 292 1HD ARG 38 2HD ARG 38 -6.011 -9.402 -5.408 293 2HD ARG 38 1HD ARG 38 -4.909 -10.185 -6.557 294 HE ARG 38 HE ARG 38 -6.518 -11.701 -4.533 295 1HH1 ARG 38 2HH1 ARG 38 -6.334 -11.119 -7.791 296 2HH1 ARG 38 1HH1 ARG 38 -6.175 -12.773 -8.277 297 1HH2 ARG 38 1HH2 ARG 38 -5.701 -13.953 -5.051 298 2HH2 ARG 38 2HH2 ARG 38 -5.818 -14.378 -6.726 299 H ILE 39 H ILE 39 -1.911 -7.757 -2.980 300 HA ILE 39 HA ILE 39 -2.610 -5.735 -0.891 301 HB ILE 39 HB ILE 39 0.107 -6.915 -1.541 302 1HG1 ILE 39 2HG1 ILE 39 -0.543 -6.830 1.243 303 2HG1 ILE 39 1HG1 ILE 39 -1.914 -7.535 0.385 304 1HG2 ILE 39 1HG2 ILE 39 0.181 -4.437 -1.208 305 2HG2 ILE 39 2HG2 ILE 39 1.028 -5.323 0.059 306 3HG2 ILE 39 3HG2 ILE 39 -0.578 -4.660 0.369 307 1HD1 ILE 39 1HD1 ILE 39 0.183 -8.770 -0.863 308 2HD1 ILE 39 2HD1 ILE 39 -0.706 -9.460 0.494 309 3HD1 ILE 39 3HD1 ILE 39 0.810 -8.604 0.776 310 H GLU 40 H GLU 40 -2.416 -3.615 -1.633 311 HA GLU 40 HA GLU 40 -1.087 -3.161 -4.273 312 1HB GLU 40 2HB GLU 40 -3.638 -3.603 -4.327 313 2HB GLU 40 1HB GLU 40 -3.793 -2.023 -3.560 314 1HG GLU 40 2HG GLU 40 -3.610 -1.064 -5.586 315 2HG GLU 40 1HG GLU 40 -1.965 -1.693 -5.695 316 H ARG 41 H ARG 41 -0.077 -1.141 -4.394 317 HA ARG 41 HA ARG 41 -0.328 0.613 -1.973 318 1HB ARG 41 2HB ARG 41 1.843 -0.746 -2.945 319 2HB ARG 41 1HB ARG 41 2.044 0.822 -3.727 320 1HG ARG 41 2HG ARG 41 1.660 1.861 -1.420 321 2HG ARG 41 1HG ARG 41 1.859 0.234 -0.767 322 1HD ARG 41 2HD ARG 41 4.087 0.111 -1.965 323 2HD ARG 41 1HD ARG 41 3.898 1.834 -2.348 324 HE ARG 41 HE ARG 41 3.502 2.008 0.260 325 1HH1 ARG 41 2HH1 ARG 41 6.272 1.435 -1.377 326 2HH1 ARG 41 1HH1 ARG 41 7.121 0.633 -0.098 327 1HH2 ARG 41 1HH2 ARG 41 4.315 0.298 1.912 328 2HH2 ARG 41 2HH2 ARG 41 6.013 -0.011 1.764 329 H GLY 42 H GLY 42 0.988 2.847 -2.981 330 1HA GLY 42 2HA GLY 42 0.660 3.969 -5.390 331 2HA GLY 42 1HA GLY 42 -1.029 3.874 -4.887 332 H CYS 43 H CYS 43 1.144 6.130 -5.194 333 HA CYS 43 HA CYS 43 1.156 7.304 -2.492 334 1HB CYS 43 2HB CYS 43 3.104 7.587 -3.860 335 2HB CYS 43 1HB CYS 43 2.141 8.118 -5.237 336 H ALA 44 H ALA 44 -0.797 8.159 -1.832 337 HA ALA 44 HA ALA 44 -2.020 10.287 -3.472 338 1HB ALA 44 1HB ALA 44 -2.927 8.063 -4.256 339 2HB ALA 44 2HB ALA 44 -4.164 9.160 -3.639 340 3HB ALA 44 3HB ALA 44 -3.588 7.828 -2.638 341 H ALA 45 H ALA 45 -4.518 10.179 -1.965 342 HA ALA 45 HA ALA 45 -3.572 10.647 0.838 343 1HB ALA 45 1HB ALA 45 -3.608 12.808 -0.147 344 2HB ALA 45 2HB ALA 45 -5.156 12.690 0.691 345 3HB ALA 45 3HB ALA 45 -5.078 12.457 -1.055 346 H THR 46 H THR 46 -5.367 8.662 -0.825 347 HA THR 46 HA THR 46 -8.049 8.972 0.227 348 HB THR 46 HB THR 46 -7.116 6.272 -0.490 349 HG1 THR 46 HG1 THR 46 -6.803 7.003 -2.711 350 1HG2 THR 46 1HG2 THR 46 -9.448 7.800 -0.641 351 2HG2 THR 46 2HG2 THR 46 -9.203 6.195 -1.330 352 3HG2 THR 46 3HG2 THR 46 -8.927 7.629 -2.317 353 H CYS 47 H CYS 47 -5.355 6.760 1.076 354 HA CYS 47 HA CYS 47 -5.062 5.427 3.020 355 1HB CYS 47 2HB CYS 47 -4.646 7.924 3.557 356 2HB CYS 47 1HB CYS 47 -6.211 7.876 4.367 357 HA PRO 48 HA PRO 48 -9.653 4.619 3.341 358 1HB PRO 48 2HB PRO 48 -9.587 2.100 2.274 359 2HB PRO 48 1HB PRO 48 -9.792 3.562 1.290 360 1HG PRO 48 2HG PRO 48 -7.359 1.914 1.746 361 2HG PRO 48 1HG PRO 48 -7.916 2.723 0.273 362 1HD PRO 48 2HD PRO 48 -5.939 3.700 1.888 363 2HD PRO 48 1HD PRO 48 -6.968 4.719 0.857 364 H LYS 49 H LYS 49 -10.495 2.250 4.252 365 HA LYS 49 HA LYS 49 -8.537 1.292 6.299 366 1HB LYS 49 2HB LYS 49 -11.249 2.557 6.649 367 2HB LYS 49 1HB LYS 49 -10.645 1.420 7.854 368 1HG LYS 49 2HG LYS 49 -8.703 2.778 8.277 369 2HG LYS 49 1HG LYS 49 -9.068 3.824 6.905 370 1HD LYS 49 2HD LYS 49 -11.365 4.147 8.207 371 2HD LYS 49 1HD LYS 49 -10.370 3.702 9.595 372 1HE LYS 49 2HE LYS 49 -8.700 5.481 8.768 373 2HE LYS 49 1HE LYS 49 -10.016 6.055 7.726 374 1HZ LYS 49 1HZ LYS 49 -9.747 6.828 10.253 375 2HZ LYS 49 2HZ LYS 49 -10.718 5.452 10.483 376 3HZ LYS 49 3HZ LYS 49 -11.252 6.714 9.478 377 H GLY 50 H GLY 50 -10.318 -0.409 7.649 378 1HA GLY 50 2HA GLY 50 -11.837 -2.015 5.752 379 2HA GLY 50 1HA GLY 50 -10.309 -2.768 6.210 380 H SER 51 H SER 51 -11.702 -4.458 7.185 381 HA SER 51 HA SER 51 -12.099 -3.963 10.040 382 1HB SER 51 2HB SER 51 -14.509 -4.252 10.020 383 2HB SER 51 1HB SER 51 -14.112 -2.973 8.875 384 HG SER 51 HG SER 51 -15.505 -4.395 7.873 385 H VAL 52 H VAL 52 -14.076 -6.172 10.208 386 HA VAL 52 HA VAL 52 -12.333 -8.403 10.422 387 HB VAL 52 HB VAL 52 -14.640 -7.948 11.442 388 1HG1 VAL 52 1HG1 VAL 52 -16.540 -8.898 10.096 389 2HG1 VAL 52 2HG1 VAL 52 -15.453 -8.979 8.709 390 3HG1 VAL 52 3HG1 VAL 52 -15.864 -7.417 9.417 391 1HG2 VAL 52 1HG2 VAL 52 -13.593 -10.519 10.371 392 2HG2 VAL 52 2HG2 VAL 52 -15.259 -10.533 10.953 393 3HG2 VAL 52 3HG2 VAL 52 -13.952 -10.056 12.035 394 H TYR 53 H TYR 53 -13.897 -7.031 7.649 395 HA TYR 53 HA TYR 53 -14.198 -9.273 5.940 396 1HB TYR 53 2HB TYR 53 -14.425 -6.504 5.837 397 2HB TYR 53 1HB TYR 53 -13.149 -6.848 4.670 398 HD1 TYR 53 HD1 TYR 53 -13.943 -7.017 2.494 399 HD2 TYR 53 HD2 TYR 53 -16.327 -8.562 5.716 400 HE1 TYR 53 HE1 TYR 53 -15.640 -7.797 0.863 401 HE2 TYR 53 HE2 TYR 53 -18.024 -9.342 4.085 402 HH TYR 53 HH TYR 53 -18.128 -8.310 0.904 403 H GLY 54 H GLY 54 -11.368 -7.089 6.264 404 1HA GLY 54 2HA GLY 54 -9.167 -8.420 6.448 405 2HA GLY 54 1HA GLY 54 -9.716 -9.218 4.972 406 H LEU 55 H LEU 55 -9.083 -5.944 6.258 407 HA LEU 55 HA LEU 55 -7.876 -5.254 3.611 408 1HB LEU 55 2HB LEU 55 -10.366 -4.360 4.730 409 2HB LEU 55 1HB LEU 55 -9.257 -2.990 4.661 410 HG LEU 55 HG LEU 55 -8.765 -3.602 2.268 411 1HD1 LEU 55 1HD1 LEU 55 -11.118 -5.056 1.673 412 2HD1 LEU 55 2HD1 LEU 55 -10.359 -5.884 3.032 413 3HD1 LEU 55 3HD1 LEU 55 -9.451 -5.620 1.544 414 1HD2 LEU 55 1HD2 LEU 55 -10.244 -1.860 2.200 415 2HD2 LEU 55 2HD2 LEU 55 -11.345 -2.621 3.348 416 3HD2 LEU 55 3HD2 LEU 55 -11.374 -3.098 1.650 417 H TYR 56 H TYR 56 -5.760 -5.166 4.469 418 HA TYR 56 HA TYR 56 -5.242 -3.653 6.956 419 1HB TYR 56 2HB TYR 56 -4.152 -5.853 5.727 420 2HB TYR 56 1HB TYR 56 -3.009 -4.592 5.264 421 HD1 TYR 56 HD1 TYR 56 -3.417 -2.808 7.714 422 HD2 TYR 56 HD2 TYR 56 -2.773 -7.035 7.303 423 HE1 TYR 56 HE1 TYR 56 -2.419 -2.877 9.984 424 HE2 TYR 56 HE2 TYR 56 -1.775 -7.104 9.573 425 HH TYR 56 HH TYR 56 -1.027 -4.199 11.339 426 H VAL 57 H VAL 57 -5.351 -1.435 6.632 427 HA VAL 57 HA VAL 57 -4.112 -0.291 4.165 428 HB VAL 57 HB VAL 57 -5.993 0.777 6.291 429 1HG1 VAL 57 1HG1 VAL 57 -5.584 2.875 5.575 430 2HG1 VAL 57 2HG1 VAL 57 -5.761 2.388 3.890 431 3HG1 VAL 57 3HG1 VAL 57 -4.197 2.238 4.692 432 1HG2 VAL 57 1HG2 VAL 57 -6.381 0.216 3.331 433 2HG2 VAL 57 2HG2 VAL 57 -7.616 0.791 4.451 434 3HG2 VAL 57 3HG2 VAL 57 -6.943 -0.828 4.637 435 H LEU 58 H LEU 58 -2.154 0.741 4.343 436 HA LEU 58 HA LEU 58 -1.307 1.728 7.042 437 1HB LEU 58 2HB LEU 58 -0.394 -0.563 5.763 438 2HB LEU 58 1HB LEU 58 0.830 0.640 5.354 439 HG LEU 58 HG LEU 58 -0.164 0.313 8.185 440 1HD1 LEU 58 1HD1 LEU 58 0.727 -1.787 8.081 441 2HD1 LEU 58 2HD1 LEU 58 2.263 -0.926 8.190 442 3HD1 LEU 58 3HD1 LEU 58 1.645 -1.432 6.617 443 1HD2 LEU 58 1HD2 LEU 58 2.286 1.495 6.854 444 2HD2 LEU 58 2HD2 LEU 58 2.181 1.227 8.593 445 3HD2 LEU 58 3HD2 LEU 58 1.065 2.341 7.803 446 H CYS 59 H CYS 59 -1.487 3.935 6.514 447 HA CYS 59 HA CYS 59 -0.294 4.930 3.989 448 1HB CYS 59 2HB CYS 59 -1.653 6.415 6.257 449 2HB CYS 59 1HB CYS 59 -1.429 6.979 4.600 450 H CYS 60 H CYS 60 1.792 5.690 3.954 451 HA CYS 60 HA CYS 60 2.976 6.673 6.530 452 1HB CYS 60 2HB CYS 60 4.668 5.255 4.507 453 2HB CYS 60 1HB CYS 60 4.844 5.317 6.255 454 H THR 61 H THR 61 4.804 8.177 6.165 455 HA THR 61 HA THR 61 5.067 9.314 3.459 456 HB THR 61 HB THR 61 3.137 10.451 4.437 457 HG1 THR 61 HG1 THR 61 3.866 12.440 4.059 458 1HG2 THR 61 1HG2 THR 61 4.250 9.922 6.834 459 2HG2 THR 61 2HG2 THR 61 3.029 11.174 6.606 460 3HG2 THR 61 3HG2 THR 61 4.737 11.608 6.656 461 H THR 62 H THR 62 7.141 8.016 4.515 462 HA THR 62 HA THR 62 8.991 10.190 5.369 463 HB THR 62 HB THR 62 9.196 7.567 6.766 464 HG1 THR 62 HG1 THR 62 7.357 9.473 7.698 465 1HG2 THR 62 1HG2 THR 62 10.666 8.899 7.840 466 2HG2 THR 62 2HG2 THR 62 9.267 9.685 8.571 467 3HG2 THR 62 3HG2 THR 62 9.989 10.354 7.108 468 H ASP 63 H ASP 63 9.137 6.616 5.081 469 HA ASP 63 HA ASP 63 11.073 6.919 2.827 470 1HB ASP 63 2HB ASP 63 12.110 6.808 5.201 471 2HB ASP 63 1HB ASP 63 11.604 5.118 5.193 472 H ASP 64 H ASP 64 10.977 5.198 1.363 473 HA ASP 64 HA ASP 64 10.079 3.278 0.306 474 1HB ASP 64 2HB ASP 64 10.060 2.553 3.244 475 2HB ASP 64 1HB ASP 64 9.624 1.394 1.987 476 H CYS 65 H CYS 65 8.063 3.234 3.297 477 HA CYS 65 HA CYS 65 5.634 2.905 1.720 478 1HB CYS 65 2HB CYS 65 6.203 1.956 4.018 479 2HB CYS 65 1HB CYS 65 5.968 3.582 4.657 480 H ASN 66 HN ASN 66 7.530 5.575 2.364 481 HA ASN 66 HA ASN 66 5.872 7.655 3.207 482 1HB ASN 66 2HB ASN 66 7.340 9.002 1.555 483 2HB ASN 66 1HB ASN 66 8.179 8.057 2.785 484 1HD2 ASN 66 1HD2 ASN 66 10.081 7.836 1.376 485 2HD2 ASN 66 2HD2 ASN 66 10.055 6.785 0.042 Start of MODEL 4 1 1H MET 1 1H MET 1 14.945 7.476 -0.234 2 2H MET 1 2H MET 1 15.094 8.667 0.968 3 3H MET 1 3H MET 1 14.433 9.062 -0.547 4 HA MET 1 HA MET 1 13.150 7.016 1.161 5 1HB MET 1 2HB MET 1 13.422 8.908 2.603 6 2HB MET 1 1HB MET 1 13.059 10.038 1.298 7 1HG MET 1 2HG MET 1 10.827 9.838 1.607 8 2HG MET 1 1HG MET 1 10.923 8.081 1.730 9 1HE MET 1 1HE MET 1 9.012 9.532 4.870 10 2HE MET 1 2HE MET 1 8.957 8.178 3.744 11 3HE MET 1 3HE MET 1 8.989 9.828 3.127 12 H LYS 2 H LYS 2 12.071 6.031 -0.567 13 HA LYS 2 HA LYS 2 10.311 7.816 -2.213 14 1HB LYS 2 2HB LYS 2 12.128 5.546 -3.061 15 2HB LYS 2 1HB LYS 2 10.869 6.201 -4.105 16 1HG LYS 2 2HG LYS 2 12.098 8.029 -4.605 17 2HG LYS 2 1HG LYS 2 12.514 8.299 -2.913 18 1HD LYS 2 2HD LYS 2 13.805 6.060 -4.457 19 2HD LYS 2 1HD LYS 2 14.427 7.705 -4.584 20 1HE LYS 2 2HE LYS 2 13.963 7.114 -1.806 21 2HE LYS 2 1HE LYS 2 14.962 5.831 -2.518 22 1HZ LYS 2 1HZ LYS 2 16.444 7.560 -1.946 23 2HZ LYS 2 2HZ LYS 2 15.432 8.759 -2.600 24 3HZ LYS 2 3HZ LYS 2 16.241 7.672 -3.627 25 H CYS 3 H CYS 3 8.613 6.337 -3.384 26 HA CYS 3 HA CYS 3 7.519 4.466 -1.331 27 1HB CYS 3 2HB CYS 3 6.454 6.211 -3.517 28 2HB CYS 3 1HB CYS 3 5.496 4.817 -3.018 29 H LYS 4 H LYS 4 8.153 2.384 -1.738 30 HA LYS 4 HA LYS 4 8.580 1.446 -4.502 31 1HB LYS 4 2HB LYS 4 9.600 -0.430 -3.417 32 2HB LYS 4 1HB LYS 4 10.052 0.983 -2.465 33 1HG LYS 4 2HG LYS 4 8.083 0.503 -0.963 34 2HG LYS 4 1HG LYS 4 7.858 -1.010 -1.842 35 1HD LYS 4 2HD LYS 4 9.809 -1.948 -1.010 36 2HD LYS 4 1HD LYS 4 10.577 -0.382 -0.757 37 1HE LYS 4 2HE LYS 4 8.747 -0.002 1.052 38 2HE LYS 4 1HE LYS 4 8.515 -1.759 0.966 39 1HZ LYS 4 1HZ LYS 4 10.937 -0.248 1.708 40 2HZ LYS 4 2HZ LYS 4 11.076 -1.814 1.064 41 3HZ LYS 4 3HZ LYS 4 10.213 -1.559 2.505 42 H ILE 5 H ILE 5 6.928 0.520 -5.636 43 HA ILE 5 HA ILE 5 4.531 -0.452 -4.153 44 HB ILE 5 HB ILE 5 4.963 -0.006 -7.122 45 1HG1 ILE 5 2HG1 ILE 5 3.996 1.892 -4.961 46 2HG1 ILE 5 1HG1 ILE 5 5.428 2.086 -5.971 47 1HG2 ILE 5 1HG2 ILE 5 2.321 0.528 -6.349 48 2HG2 ILE 5 2HG2 ILE 5 2.764 -0.933 -5.467 49 3HG2 ILE 5 3HG2 ILE 5 2.893 -0.892 -7.225 50 1HD1 ILE 5 1HD1 ILE 5 3.647 1.856 -7.933 51 2HD1 ILE 5 2HD1 ILE 5 3.935 3.409 -7.146 52 3HD1 ILE 5 3HD1 ILE 5 2.542 2.429 -6.684 53 H CYS 6 H CYS 6 4.653 -2.611 -3.673 54 HA CYS 6 HA CYS 6 5.981 -4.448 -5.628 55 1HB CYS 6 2HB CYS 6 5.382 -4.535 -2.662 56 2HB CYS 6 1HB CYS 6 5.950 -5.951 -3.547 57 H ASN 7 H ASN 7 4.824 -6.835 -5.001 58 HA ASN 7 HA ASN 7 1.981 -6.844 -4.652 59 1HB ASN 7 2HB ASN 7 2.992 -5.898 -7.172 60 2HB ASN 7 1HB ASN 7 2.121 -7.409 -7.437 61 1HD2 ASN 7 1HD2 ASN 7 0.862 -5.242 -8.501 62 2HD2 ASN 7 2HD2 ASN 7 -0.452 -4.750 -7.547 63 H PHE 8 H PHE 8 1.035 -8.963 -5.675 64 HA PHE 8 HA PHE 8 1.128 -11.315 -5.812 65 1HB PHE 8 2HB PHE 8 3.973 -10.690 -6.668 66 2HB PHE 8 1HB PHE 8 3.070 -12.159 -7.036 67 HD1 PHE 8 HD1 PHE 8 4.296 -10.275 -9.105 68 HD2 PHE 8 HD2 PHE 8 0.386 -10.443 -7.333 69 HE1 PHE 8 HE1 PHE 8 3.338 -9.185 -11.116 70 HE2 PHE 8 HE2 PHE 8 -0.571 -9.353 -9.344 71 HZ PHE 8 HZ PHE 8 0.904 -8.723 -11.236 72 H ASP 9 H ASP 9 1.275 -10.625 -3.251 73 HA ASP 9 HA ASP 9 2.131 -11.209 -1.125 74 1HB ASP 9 2HB ASP 9 2.625 -13.480 -3.018 75 2HB ASP 9 1HB ASP 9 3.245 -13.603 -1.371 76 H THR 10 H THR 10 4.032 -9.820 -3.201 77 HA THR 10 HA THR 10 6.334 -9.672 -1.480 78 HB THR 10 HB THR 10 6.536 -12.003 -2.360 79 HG1 THR 10 HG1 THR 10 8.577 -11.617 -2.224 80 1HG2 THR 10 1HG2 THR 10 6.039 -10.569 -4.860 81 2HG2 THR 10 2HG2 THR 10 5.858 -12.285 -4.496 82 3HG2 THR 10 3HG2 THR 10 7.435 -11.643 -4.957 83 H CYS 11 H CYS 11 8.300 -9.175 -3.480 84 HA CYS 11 HA CYS 11 7.160 -6.715 -4.745 85 1HB CYS 11 2HB CYS 11 9.879 -7.554 -3.727 86 2HB CYS 11 1HB CYS 11 9.679 -6.134 -4.754 87 H ARG 12 H ARG 12 6.431 -8.472 -6.447 88 HA ARG 12 HA ARG 12 8.584 -9.444 -8.206 89 1HB ARG 12 2HB ARG 12 5.622 -9.702 -7.912 90 2HB ARG 12 1HB ARG 12 6.313 -10.033 -9.501 91 1HG ARG 12 2HG ARG 12 7.972 -11.565 -8.325 92 2HG ARG 12 1HG ARG 12 6.977 -11.390 -6.879 93 1HD ARG 12 2HD ARG 12 5.400 -12.819 -7.682 94 2HD ARG 12 1HD ARG 12 5.400 -12.037 -9.275 95 HE ARG 12 HE ARG 12 7.488 -14.008 -8.417 96 1HH1 ARG 12 1HH2 ARG 12 5.335 -15.057 -10.153 97 2HH1 ARG 12 2HH2 ARG 12 5.985 -14.847 -11.744 98 1HH2 ARG 12 2HH1 ARG 12 8.421 -12.593 -10.735 99 2HH2 ARG 12 1HH1 ARG 12 7.734 -13.450 -12.074 100 H ALA 13 H ALA 13 6.581 -6.661 -7.923 101 HA ALA 13 HA ALA 13 6.925 -5.915 -10.785 102 1HB ALA 13 1HB ALA 13 4.721 -5.671 -9.754 103 2HB ALA 13 2HB ALA 13 5.372 -4.068 -10.094 104 3HB ALA 13 3HB ALA 13 5.408 -4.704 -8.450 105 H GLY 14 H GLY 14 7.829 -4.871 -7.511 106 1HA GLY 14 2HA GLY 14 9.416 -3.304 -6.784 107 2HA GLY 14 1HA GLY 14 10.317 -3.768 -8.228 108 H GLU 15 H GLU 15 7.129 -2.189 -8.078 109 HA GLU 15 HA GLU 15 8.123 -0.102 -9.923 110 1HB GLU 15 2HB GLU 15 5.714 -1.474 -9.422 111 2HB GLU 15 1HB GLU 15 5.404 0.198 -8.953 112 1HG GLU 15 2HG GLU 15 4.910 0.214 -11.247 113 2HG GLU 15 1HG GLU 15 6.576 0.793 -11.207 114 H LEU 16 H LEU 16 9.580 0.893 -8.243 115 HA LEU 16 HA LEU 16 8.156 2.325 -6.055 116 1HB LEU 16 2HB LEU 16 10.126 1.094 -5.415 117 2HB LEU 16 1HB LEU 16 11.055 1.783 -6.744 118 HG LEU 16 HG LEU 16 9.843 3.771 -4.930 119 1HD1 LEU 16 1HD1 LEU 16 11.461 1.549 -3.909 120 2HD1 LEU 16 2HD1 LEU 16 10.526 2.754 -3.025 121 3HD1 LEU 16 3HD1 LEU 16 12.164 3.129 -3.559 122 1HD2 LEU 16 1HD2 LEU 16 11.765 3.743 -6.895 123 2HD2 LEU 16 2HD2 LEU 16 12.750 3.705 -5.432 124 3HD2 LEU 16 3HD2 LEU 16 11.596 5.015 -5.684 125 H LYS 17 H LYS 17 8.067 4.571 -5.976 126 HA LYS 17 HA LYS 17 9.473 6.155 -8.063 127 1HB LYS 17 2HB LYS 17 6.898 5.258 -8.415 128 2HB LYS 17 1HB LYS 17 6.623 6.830 -7.664 129 1HG LYS 17 2HG LYS 17 7.474 7.987 -9.450 130 2HG LYS 17 1HG LYS 17 8.669 6.743 -9.817 131 1HD LYS 17 2HD LYS 17 7.331 5.954 -11.441 132 2HD LYS 17 1HD LYS 17 6.099 5.592 -10.231 133 1HE LYS 17 2HE LYS 17 5.076 7.080 -11.840 134 2HE LYS 17 1HE LYS 17 5.408 8.057 -10.396 135 1HZ LYS 17 1HZ LYS 17 6.235 8.880 -12.700 136 2HZ LYS 17 2HZ LYS 17 7.484 7.754 -12.459 137 3HZ LYS 17 3HZ LYS 17 7.251 9.018 -11.349 138 H VAL 18 H VAL 18 7.710 8.460 -7.376 139 HA VAL 18 HA VAL 18 8.296 8.868 -4.483 140 HB VAL 18 HB VAL 18 9.151 10.884 -6.562 141 1HG1 VAL 18 1HG1 VAL 18 9.036 11.609 -4.220 142 2HG1 VAL 18 2HG1 VAL 18 10.718 11.525 -4.746 143 3HG1 VAL 18 3HG1 VAL 18 10.044 10.246 -3.734 144 1HG2 VAL 18 1HG2 VAL 18 10.588 8.395 -5.640 145 2HG2 VAL 18 2HG2 VAL 18 11.491 9.822 -6.145 146 3HG2 VAL 18 3HG2 VAL 18 10.409 9.017 -7.281 147 H CYS 19 H CYS 19 6.968 10.516 -3.551 148 HA CYS 19 HA CYS 19 5.261 12.231 -5.166 149 1HB CYS 19 2HB CYS 19 3.183 11.062 -4.808 150 2HB CYS 19 1HB CYS 19 4.331 9.879 -5.434 151 H ALA 20 H ALA 20 3.106 12.233 -3.161 152 HA ALA 20 HA ALA 20 2.633 13.444 -1.182 153 1HB ALA 20 1HB ALA 20 4.534 11.285 -0.721 154 2HB ALA 20 2HB ALA 20 3.154 11.777 0.259 155 3HB ALA 20 3HB ALA 20 4.716 12.567 0.477 156 H SER 21 H SER 21 4.665 14.582 -3.168 157 HA SER 21 HA SER 21 6.865 15.859 -2.078 158 1HB SER 21 2HB SER 21 5.444 16.000 -4.375 159 2HB SER 21 1HB SER 21 4.984 17.543 -3.659 160 HG SER 21 HG SER 21 6.936 18.254 -3.998 161 H GLY 22 H GLY 22 3.469 16.561 -1.432 162 1HA GLY 22 2HA GLY 22 3.816 17.757 1.057 163 2HA GLY 22 1HA GLY 22 3.955 19.088 -0.093 164 H GLU 23 H GLU 23 1.801 16.388 0.804 165 HA GLU 23 HA GLU 23 -0.564 17.932 0.962 166 1HB GLU 23 2HB GLU 23 0.432 17.372 -1.722 167 2HB GLU 23 1HB GLU 23 -1.203 16.749 -1.497 168 1HG GLU 23 2HG GLU 23 -1.112 19.317 -0.278 169 2HG GLU 23 1HG GLU 23 -0.372 19.470 -1.872 170 H LYS 24 H LYS 24 0.182 14.901 -0.806 171 HA LYS 24 HA LYS 24 -1.659 13.467 1.074 172 1HB LYS 24 2HB LYS 24 -1.748 11.830 -0.858 173 2HB LYS 24 1HB LYS 24 -2.364 13.438 -1.242 174 1HG LYS 24 2HG LYS 24 0.513 13.241 -1.685 175 2HG LYS 24 1HG LYS 24 -0.386 12.068 -2.647 176 1HD LYS 24 2HD LYS 24 -1.842 14.501 -2.762 177 2HD LYS 24 1HD LYS 24 -0.149 14.905 -3.051 178 1HE LYS 24 2HE LYS 24 -0.965 12.467 -4.464 179 2HE LYS 24 1HE LYS 24 -1.890 13.898 -4.964 180 1HZ LYS 24 1HZ LYS 24 0.118 13.891 -6.218 181 2HZ LYS 24 2HZ LYS 24 1.063 13.621 -4.832 182 3HZ LYS 24 3HZ LYS 24 0.271 15.108 -5.047 183 H TYR 25 H TYR 25 -0.975 11.091 1.391 184 HA TYR 25 HA TYR 25 2.012 10.916 1.648 185 1HB TYR 25 2HB TYR 25 1.337 9.413 3.647 186 2HB TYR 25 1HB TYR 25 1.101 11.150 3.827 187 HD1 TYR 25 HD1 TYR 25 -0.931 11.799 4.749 188 HD2 TYR 25 HD2 TYR 25 -0.765 8.233 2.357 189 HE1 TYR 25 HE1 TYR 25 -3.349 11.423 5.142 190 HE2 TYR 25 HE2 TYR 25 -3.185 7.859 2.749 191 HH TYR 25 HH TYR 25 -4.864 8.927 5.017 192 H CYS 26 H CYS 26 2.693 8.505 1.855 193 HA CYS 26 HA CYS 26 1.662 7.059 -0.464 194 1HB CYS 26 2HB CYS 26 4.028 7.241 0.914 195 2HB CYS 26 1HB CYS 26 3.416 5.686 1.478 196 H PHE 27 H PHE 27 0.229 5.320 -0.437 197 HA PHE 27 HA PHE 27 -0.685 4.359 2.254 198 1HB PHE 27 2HB PHE 27 -2.929 4.467 1.454 199 2HB PHE 27 1HB PHE 27 -2.177 5.966 0.909 200 HD1 PHE 27 HD1 PHE 27 -3.787 2.889 -0.100 201 HD2 PHE 27 HD2 PHE 27 -1.281 6.099 -1.466 202 HE1 PHE 27 HE1 PHE 27 -4.318 2.302 -2.450 203 HE2 PHE 27 HE2 PHE 27 -1.811 5.512 -3.816 204 HZ PHE 27 HZ PHE 27 -3.329 3.612 -4.309 205 H LYS 28 H LYS 28 -0.957 2.146 2.461 206 HA LYS 28 HA LYS 28 -0.638 0.443 0.019 207 1HB LYS 28 2HB LYS 28 0.700 -0.055 2.693 208 2HB LYS 28 1HB LYS 28 1.040 -0.849 1.156 209 1HG LYS 28 2HG LYS 28 1.963 1.178 0.228 210 2HG LYS 28 1HG LYS 28 1.433 2.117 1.625 211 1HD LYS 28 2HD LYS 28 2.919 0.725 3.073 212 2HD LYS 28 1HD LYS 28 3.511 -0.091 1.626 213 1HE LYS 28 2HE LYS 28 4.680 1.779 0.883 214 2HE LYS 28 1HE LYS 28 3.596 2.912 1.715 215 1HZ LYS 28 1HZ LYS 28 5.878 2.446 2.764 216 2HZ LYS 28 2HZ LYS 28 5.205 0.959 3.237 217 3HZ LYS 28 3HZ LYS 28 4.515 2.416 3.772 218 H GLU 29 H GLU 29 -2.541 -0.717 -0.047 219 HA GLU 29 HA GLU 29 -3.741 -1.588 2.561 220 1HB GLU 29 2HB GLU 29 -4.998 -1.206 -0.176 221 2HB GLU 29 1HB GLU 29 -5.858 -1.543 1.327 222 1HG GLU 29 2HG GLU 29 -4.769 0.595 2.243 223 2HG GLU 29 1HG GLU 29 -4.338 0.958 0.571 224 H SER 30 H SER 30 -4.343 -3.765 2.791 225 HA SER 30 HA SER 30 -3.510 -5.618 0.580 226 1HB SER 30 2HB SER 30 -2.058 -5.420 2.698 227 2HB SER 30 1HB SER 30 -3.397 -6.179 3.554 228 HG SER 30 HG SER 30 -2.089 -7.231 1.258 229 H TRP 31 H TRP 31 -5.299 -6.673 -0.189 230 HA TRP 31 HA TRP 31 -7.781 -6.771 1.387 231 1HB TRP 31 2HB TRP 31 -7.182 -8.072 -1.278 232 2HB TRP 31 1HB TRP 31 -8.736 -7.496 -0.678 233 HD1 TRP 31 HD1 TRP 31 -6.378 -6.536 -3.126 234 HE1 TRP 31 HE1 TRP 31 -6.312 -3.990 -3.521 235 HE3 TRP 31 HE3 TRP 31 -8.789 -4.929 1.078 236 HZ2 TRP 31 HZ2 TRP 31 -7.170 -1.588 -2.224 237 HZ3 TRP 31 HZ3 TRP 31 -9.151 -2.509 1.473 238 HH2 TRP 31 HH2 TRP 31 -8.346 -0.838 -0.171 239 H ARG 32 H ARG 32 -8.656 -8.633 2.321 240 HA ARG 32 HA ARG 32 -6.930 -11.088 2.259 241 1HB ARG 32 2HB ARG 32 -8.266 -9.501 4.349 242 2HB ARG 32 1HB ARG 32 -8.536 -11.238 4.500 243 1HG ARG 32 2HG ARG 32 -6.183 -11.688 4.570 244 2HG ARG 32 1HG ARG 32 -5.789 -10.035 4.099 245 1HD ARG 32 2HD ARG 32 -5.596 -9.624 6.332 246 2HD ARG 32 1HD ARG 32 -7.369 -9.699 6.372 247 HE ARG 32 HE ARG 32 -5.621 -12.097 6.798 248 1HH1 ARG 32 1HH2 ARG 32 -8.525 -12.574 6.203 249 2HH1 ARG 32 2HH2 ARG 32 -9.209 -12.663 7.792 250 1HH2 ARG 32 2HH1 ARG 32 -6.472 -11.202 9.340 251 2HH2 ARG 32 1HH1 ARG 32 -8.047 -11.886 9.567 252 H GLU 33 H GLU 33 -7.946 -12.450 0.784 253 HA GLU 33 HA GLU 33 -10.927 -12.709 0.944 254 1HB GLU 33 2HB GLU 33 -8.860 -13.253 -1.202 255 2HB GLU 33 1HB GLU 33 -10.543 -13.754 -1.355 256 1HG GLU 33 2HG GLU 33 -11.172 -11.673 -1.936 257 2HG GLU 33 1HG GLU 33 -10.398 -10.995 -0.502 258 H ALA 34 H ALA 34 -11.555 -15.093 0.187 259 HA ALA 34 HA ALA 34 -10.347 -16.924 2.147 260 1HB ALA 34 1HB ALA 34 -12.428 -17.602 0.074 261 2HB ALA 34 2HB ALA 34 -12.838 -16.561 1.437 262 3HB ALA 34 3HB ALA 34 -12.278 -18.209 1.723 263 H ARG 35 H ARG 35 -10.136 -16.297 -1.279 264 HA ARG 35 HA ARG 35 -8.964 -18.929 -1.912 265 1HB ARG 35 2HB ARG 35 -10.327 -16.886 -3.255 266 2HB ARG 35 1HB ARG 35 -8.683 -16.801 -3.888 267 1HG ARG 35 2HG ARG 35 -9.002 -19.467 -3.947 268 2HG ARG 35 1HG ARG 35 -10.692 -18.989 -4.120 269 1HD ARG 35 2HD ARG 35 -9.812 -19.122 -6.356 270 2HD ARG 35 1HD ARG 35 -9.880 -17.390 -5.974 271 HE ARG 35 HE ARG 35 -7.409 -17.865 -5.128 272 1HH1 ARG 35 1HH2 ARG 35 -7.255 -20.563 -6.347 273 2HH1 ARG 35 2HH2 ARG 35 -6.600 -20.235 -7.916 274 1HH2 ARG 35 2HH1 ARG 35 -7.329 -16.847 -7.804 275 2HH2 ARG 35 1HH1 ARG 35 -6.641 -18.132 -8.741 276 H GLY 36 H GLY 36 -7.870 -15.880 -0.765 277 1HA GLY 36 2HA GLY 36 -5.227 -16.574 -0.297 278 2HA GLY 36 1HA GLY 36 -5.216 -15.956 -1.950 279 H THR 37 H THR 37 -3.958 -14.106 -1.295 280 HA THR 37 HA THR 37 -5.618 -11.990 0.003 281 HB THR 37 HB THR 37 -2.780 -12.803 0.713 282 HG1 THR 37 HG1 THR 37 -3.683 -13.784 2.330 283 1HG2 THR 37 1HG2 THR 37 -2.492 -10.762 1.605 284 2HG2 THR 37 2HG2 THR 37 -3.999 -10.908 2.508 285 3HG2 THR 37 3HG2 THR 37 -4.013 -10.263 0.866 286 H ARG 38 H ARG 38 -5.263 -9.944 -0.893 287 HA ARG 38 HA ARG 38 -3.180 -9.770 -3.050 288 1HB ARG 38 2HB ARG 38 -6.002 -8.705 -2.793 289 2HB ARG 38 1HB ARG 38 -4.882 -8.108 -4.018 290 1HG ARG 38 2HG ARG 38 -5.054 -11.051 -3.837 291 2HG ARG 38 1HG ARG 38 -6.534 -10.256 -4.376 292 1HD ARG 38 2HD ARG 38 -5.582 -9.526 -6.342 293 2HD ARG 38 1HD ARG 38 -3.983 -9.310 -5.604 294 HE ARG 38 HE ARG 38 -4.689 -12.094 -5.583 295 1HH1 ARG 38 2HH1 ARG 38 -2.574 -9.896 -6.887 296 2HH1 ARG 38 1HH1 ARG 38 -2.290 -10.752 -8.366 297 1HH2 ARG 38 1HH2 ARG 38 -4.825 -13.056 -7.828 298 2HH2 ARG 38 2HH2 ARG 38 -3.565 -12.539 -8.899 299 H ILE 39 H ILE 39 -2.487 -7.430 -3.441 300 HA ILE 39 HA ILE 39 -2.848 -5.583 -1.164 301 HB ILE 39 HB ILE 39 -1.072 -7.288 -0.567 302 1HG1 ILE 39 2HG1 ILE 39 -0.123 -4.423 -0.895 303 2HG1 ILE 39 1HG1 ILE 39 -1.132 -5.011 0.426 304 1HG2 ILE 39 1HG2 ILE 39 -0.159 -7.558 -2.848 305 2HG2 ILE 39 2HG2 ILE 39 1.102 -7.080 -1.711 306 3HG2 ILE 39 3HG2 ILE 39 0.412 -5.890 -2.814 307 1HD1 ILE 39 1HD1 ILE 39 1.100 -5.037 1.269 308 2HD1 ILE 39 2HD1 ILE 39 1.725 -5.773 -0.207 309 3HD1 ILE 39 3HD1 ILE 39 0.717 -6.716 0.891 310 H GLU 40 H GLU 40 -2.087 -3.444 -1.664 311 HA GLU 40 HA GLU 40 -0.839 -2.933 -4.293 312 1HB GLU 40 2HB GLU 40 -3.688 -2.896 -3.796 313 2HB GLU 40 1HB GLU 40 -3.135 -1.274 -4.218 314 1HG GLU 40 2HG GLU 40 -2.088 -3.546 -5.845 315 2HG GLU 40 1HG GLU 40 -3.768 -3.074 -6.097 316 H ARG 41 H ARG 41 0.152 -0.866 -4.325 317 HA ARG 41 HA ARG 41 -0.242 0.827 -1.880 318 1HB ARG 41 2HB ARG 41 2.368 0.176 -3.283 319 2HB ARG 41 1HB ARG 41 2.178 1.065 -1.772 320 1HG ARG 41 2HG ARG 41 1.236 -0.923 -0.691 321 2HG ARG 41 1HG ARG 41 1.352 -1.820 -2.204 322 1HD ARG 41 2HD ARG 41 3.757 -1.744 -2.168 323 2HD ARG 41 1HD ARG 41 3.756 -0.574 -0.834 324 HE ARG 41 HE ARG 41 2.256 -2.858 -0.023 325 1HH1 ARG 41 1HH2 ARG 41 5.328 -1.409 -0.051 326 2HH1 ARG 41 2HH2 ARG 41 6.144 -2.758 0.670 327 1HH2 ARG 41 2HH1 ARG 41 3.356 -4.821 0.594 328 2HH2 ARG 41 1HH1 ARG 41 5.026 -4.690 1.036 329 H GLY 42 H GLY 42 0.881 3.055 -2.294 330 1HA GLY 42 2HA GLY 42 1.511 4.201 -4.710 331 2HA GLY 42 1HA GLY 42 -0.253 4.159 -4.751 332 H CYS 43 H CYS 43 -0.006 6.578 -4.756 333 HA CYS 43 HA CYS 43 0.556 7.653 -2.013 334 1HB CYS 43 2HB CYS 43 1.653 8.313 -4.428 335 2HB CYS 43 1HB CYS 43 0.327 9.474 -4.339 336 H ALA 44 H ALA 44 -1.272 8.206 -0.900 337 HA ALA 44 HA ALA 44 -3.573 9.376 -2.402 338 1HB ALA 44 1HB ALA 44 -5.068 7.843 -1.096 339 2HB ALA 44 2HB ALA 44 -3.630 7.043 -0.460 340 3HB ALA 44 3HB ALA 44 -3.985 6.976 -2.185 341 H ALA 45 H ALA 45 -5.320 9.877 -0.453 342 HA ALA 45 HA ALA 45 -3.789 11.154 1.787 343 1HB ALA 45 1HB ALA 45 -4.808 12.466 -0.384 344 2HB ALA 45 2HB ALA 45 -4.606 13.209 1.203 345 3HB ALA 45 3HB ALA 45 -6.174 12.554 0.730 346 H THR 46 H THR 46 -5.744 8.738 1.302 347 HA THR 46 HA THR 46 -7.758 9.485 3.393 348 HB THR 46 HB THR 46 -7.845 7.137 1.490 349 HG1 THR 46 HG1 THR 46 -8.510 8.421 -0.055 350 1HG2 THR 46 1HG2 THR 46 -9.899 6.813 2.352 351 2HG2 THR 46 2HG2 THR 46 -10.322 8.513 2.146 352 3HG2 THR 46 3HG2 THR 46 -9.471 7.985 3.598 353 H CYS 47 H CYS 47 -5.990 6.571 2.256 354 HA CYS 47 HA CYS 47 -5.081 4.771 3.494 355 1HB CYS 47 2HB CYS 47 -3.733 6.798 4.196 356 2HB CYS 47 1HB CYS 47 -4.799 6.943 5.593 357 HA PRO 48 HA PRO 48 -9.020 4.736 6.106 358 1HB PRO 48 2HB PRO 48 -10.553 3.153 4.483 359 2HB PRO 48 1HB PRO 48 -10.536 4.925 4.368 360 1HG PRO 48 2HG PRO 48 -9.154 2.905 2.678 361 2HG PRO 48 1HG PRO 48 -9.918 4.433 2.214 362 1HD PRO 48 2HD PRO 48 -7.217 4.107 2.487 363 2HD PRO 48 1HD PRO 48 -8.051 5.662 2.698 364 H LYS 49 H LYS 49 -9.927 2.708 7.110 365 HA LYS 49 HA LYS 49 -7.893 0.520 7.038 366 1HB LYS 49 2HB LYS 49 -10.044 1.280 9.043 367 2HB LYS 49 1HB LYS 49 -8.844 0.007 9.272 368 1HG LYS 49 2HG LYS 49 -7.035 1.593 9.237 369 2HG LYS 49 1HG LYS 49 -8.111 2.893 8.723 370 1HD LYS 49 2HD LYS 49 -9.242 1.813 11.083 371 2HD LYS 49 1HD LYS 49 -7.517 2.001 11.400 372 1HE LYS 49 2HE LYS 49 -8.670 4.295 9.965 373 2HE LYS 49 1HE LYS 49 -9.371 4.044 11.577 374 1HZ LYS 49 1HZ LYS 49 -6.499 3.658 11.350 375 2HZ LYS 49 2HZ LYS 49 -7.401 4.378 12.597 376 3HZ LYS 49 3HZ LYS 49 -7.034 5.259 11.191 377 H GLY 50 H GLY 50 -9.361 -1.576 8.042 378 1HA GLY 50 2HA GLY 50 -11.692 -1.895 6.212 379 2HA GLY 50 1HA GLY 50 -10.405 -3.102 6.185 380 H SER 51 H SER 51 -12.488 -4.397 6.790 381 HA SER 51 HA SER 51 -12.266 -5.230 9.531 382 1HB SER 51 2HB SER 51 -14.508 -4.331 10.259 383 2HB SER 51 1HB SER 51 -13.300 -3.080 9.979 384 HG SER 51 HG SER 51 -14.262 -2.580 8.071 385 H VAL 52 H VAL 52 -14.673 -4.863 6.902 386 HA VAL 52 HA VAL 52 -16.229 -7.156 7.367 387 HB VAL 52 HB VAL 52 -15.323 -5.707 4.871 388 1HG1 VAL 52 1HG1 VAL 52 -17.401 -6.918 3.875 389 2HG1 VAL 52 2HG1 VAL 52 -17.153 -8.084 5.175 390 3HG1 VAL 52 3HG1 VAL 52 -15.886 -7.813 3.980 391 1HG2 VAL 52 1HG2 VAL 52 -18.017 -5.825 6.260 392 2HG2 VAL 52 2HG2 VAL 52 -17.531 -4.720 4.974 393 3HG2 VAL 52 3HG2 VAL 52 -16.810 -4.579 6.578 394 H TYR 53 H TYR 53 -13.574 -6.998 4.957 395 HA TYR 53 HA TYR 53 -13.258 -9.949 5.192 396 1HB TYR 53 2HB TYR 53 -13.108 -7.941 3.141 397 2HB TYR 53 1HB TYR 53 -11.550 -8.761 3.240 398 HD1 TYR 53 HD1 TYR 53 -13.925 -8.873 1.091 399 HD2 TYR 53 HD2 TYR 53 -12.569 -11.446 4.253 400 HE1 TYR 53 HE1 TYR 53 -14.880 -10.831 -0.092 401 HE2 TYR 53 HE2 TYR 53 -13.526 -13.404 3.069 402 HH TYR 53 HH TYR 53 -15.668 -13.089 0.431 403 H GLY 54 H GLY 54 -11.651 -6.949 5.975 404 1HA GLY 54 2HA GLY 54 -9.903 -6.951 7.700 405 2HA GLY 54 1HA GLY 54 -9.377 -8.524 7.097 406 H LEU 55 H LEU 55 -9.628 -5.100 6.150 407 HA LEU 55 HA LEU 55 -7.656 -5.520 3.980 408 1HB LEU 55 2HB LEU 55 -8.891 -2.918 4.894 409 2HB LEU 55 1HB LEU 55 -8.355 -3.364 3.274 410 HG LEU 55 HG LEU 55 -10.738 -4.510 4.760 411 1HD1 LEU 55 1HD1 LEU 55 -11.937 -2.925 3.709 412 2HD1 LEU 55 2HD1 LEU 55 -11.269 -3.411 2.150 413 3HD1 LEU 55 3HD1 LEU 55 -10.431 -2.210 3.134 414 1HD2 LEU 55 1HD2 LEU 55 -9.108 -5.731 2.813 415 2HD2 LEU 55 2HD2 LEU 55 -10.536 -5.172 1.944 416 3HD2 LEU 55 3HD2 LEU 55 -10.712 -6.252 3.327 417 H TYR 56 H TYR 56 -5.528 -5.512 4.604 418 HA TYR 56 HA TYR 56 -4.623 -4.153 7.038 419 1HB TYR 56 2HB TYR 56 -3.835 -6.308 5.525 420 2HB TYR 56 1HB TYR 56 -2.665 -5.084 5.029 421 HD1 TYR 56 HD1 TYR 56 -3.620 -7.406 7.605 422 HD2 TYR 56 HD2 TYR 56 -1.417 -3.794 6.867 423 HE1 TYR 56 HE1 TYR 56 -2.375 -7.732 9.726 424 HE2 TYR 56 HE2 TYR 56 -0.173 -4.118 8.987 425 HH TYR 56 HH TYR 56 -1.140 -6.194 11.386 426 H VAL 57 H VAL 57 -4.824 -1.897 6.768 427 HA VAL 57 HA VAL 57 -3.692 -0.663 4.303 428 HB VAL 57 HB VAL 57 -4.880 1.340 5.195 429 1HG1 VAL 57 1HG1 VAL 57 -6.430 0.319 3.877 430 2HG1 VAL 57 2HG1 VAL 57 -7.196 -0.111 5.407 431 3HG1 VAL 57 3HG1 VAL 57 -6.136 -1.264 4.596 432 1HG2 VAL 57 1HG2 VAL 57 -4.551 0.183 7.633 433 2HG2 VAL 57 2HG2 VAL 57 -6.215 -0.287 7.289 434 3HG2 VAL 57 3HG2 VAL 57 -5.767 1.418 7.306 435 H LEU 58 H LEU 58 -1.977 0.820 4.409 436 HA LEU 58 HA LEU 58 -0.828 1.652 6.985 437 1HB LEU 58 2HB LEU 58 -0.085 -0.738 6.512 438 2HB LEU 58 1HB LEU 58 0.765 -0.110 5.100 439 HG LEU 58 HG LEU 58 1.687 1.616 6.951 440 1HD1 LEU 58 1HD1 LEU 58 0.283 -0.204 8.518 441 2HD1 LEU 58 2HD1 LEU 58 1.533 0.902 9.091 442 3HD1 LEU 58 3HD1 LEU 58 1.954 -0.752 8.647 443 1HD2 LEU 58 1HD2 LEU 58 2.750 -1.191 6.485 444 2HD2 LEU 58 2HD2 LEU 58 3.691 0.176 7.082 445 3HD2 LEU 58 3HD2 LEU 58 3.041 0.201 5.443 446 H CYS 59 H CYS 59 -0.307 3.768 6.536 447 HA CYS 59 HA CYS 59 0.926 4.368 3.867 448 1HB CYS 59 2HB CYS 59 -0.375 6.562 4.111 449 2HB CYS 59 1HB CYS 59 -1.345 5.123 3.810 450 H CYS 60 H CYS 60 2.338 6.291 3.895 451 HA CYS 60 HA CYS 60 3.258 7.118 6.623 452 1HB CYS 60 2HB CYS 60 4.578 5.226 5.324 453 2HB CYS 60 1HB CYS 60 5.215 6.589 4.406 454 H THR 61 H THR 61 4.226 9.231 6.659 455 HA THR 61 HA THR 61 3.266 11.038 4.593 456 HB THR 61 HB THR 61 4.165 12.733 6.118 457 HG1 THR 61 HG1 THR 61 6.093 11.500 6.572 458 1HG2 THR 61 1HG2 THR 61 2.173 12.168 7.082 459 2HG2 THR 61 2HG2 THR 61 3.217 11.517 8.347 460 3HG2 THR 61 3HG2 THR 61 2.559 10.447 7.109 461 H THR 62 H THR 62 4.937 12.768 3.810 462 HA THR 62 HA THR 62 6.861 13.256 2.539 463 HB THR 62 HB THR 62 7.996 11.025 4.256 464 HG1 THR 62 HG1 THR 62 6.956 13.160 5.087 465 1HG2 THR 62 1HG2 THR 62 9.265 13.247 2.645 466 2HG2 THR 62 2HG2 THR 62 9.496 11.510 2.442 467 3HG2 THR 62 3HG2 THR 62 10.132 12.323 3.872 468 H ASP 63 H ASP 63 7.142 9.700 3.017 469 HA ASP 63 HA ASP 63 6.111 8.845 0.542 470 1HB ASP 63 2HB ASP 63 8.569 10.372 0.368 471 2HB ASP 63 1HB ASP 63 8.811 8.746 -0.270 472 H ASP 64 H ASP 64 5.720 6.857 1.585 473 HA ASP 64 HA ASP 64 6.262 4.663 2.313 474 1HB ASP 64 2HB ASP 64 7.906 5.346 0.262 475 2HB ASP 64 1HB ASP 64 9.094 4.978 1.512 476 H CYS 65 H CYS 65 9.419 6.302 2.833 477 HA CYS 65 HA CYS 65 10.440 6.947 4.898 478 1HB CYS 65 2HB CYS 65 8.384 5.204 6.288 479 2HB CYS 65 1HB CYS 65 9.389 6.459 6.998 480 H ASN 66 HN ASN 66 11.066 4.806 3.120 481 HA ASN 66 HA ASN 66 11.542 2.278 4.280 482 1HB ASN 66 2HB ASN 66 12.885 3.996 2.199 483 2HB ASN 66 1HB ASN 66 13.539 2.408 2.593 484 1HD2 ASN 66 1HD2 ASN 66 11.035 4.068 0.854 485 2HD2 ASN 66 2HD2 ASN 66 10.203 2.689 0.317 Start of MODEL 5 1 1H MET 1 1H MET 1 12.321 13.059 -3.301 2 2H MET 1 2H MET 1 10.642 13.146 -3.543 3 3H MET 1 3H MET 1 11.630 12.381 -4.694 4 HA MET 1 HA MET 1 12.278 10.862 -2.676 5 1HB MET 1 2HB MET 1 9.624 12.165 -2.005 6 2HB MET 1 1HB MET 1 10.204 10.694 -1.221 7 1HG MET 1 2HG MET 1 12.371 12.480 -1.125 8 2HG MET 1 1HG MET 1 10.955 13.447 -0.713 9 1HE MET 1 1HE MET 1 9.720 13.481 0.953 10 2HE MET 1 2HE MET 1 9.953 12.759 2.544 11 3HE MET 1 3HE MET 1 8.980 11.920 1.338 12 H LYS 2 H LYS 2 11.155 8.725 -2.743 13 HA LYS 2 HA LYS 2 9.152 8.454 -4.943 14 1HB LYS 2 2HB LYS 2 11.615 6.713 -4.669 15 2HB LYS 2 1HB LYS 2 10.519 6.826 -6.046 16 1HG LYS 2 2HG LYS 2 11.255 9.082 -6.529 17 2HG LYS 2 1HG LYS 2 12.218 9.130 -5.051 18 1HD LYS 2 2HD LYS 2 13.956 8.304 -6.216 19 2HD LYS 2 1HD LYS 2 13.041 6.813 -6.443 20 1HE LYS 2 2HE LYS 2 12.618 7.295 -8.627 21 2HE LYS 2 1HE LYS 2 12.194 8.977 -8.251 22 1HZ LYS 2 1HZ LYS 2 14.978 8.219 -7.868 23 2HZ LYS 2 2HZ LYS 2 14.320 9.669 -8.459 24 3HZ LYS 2 3HZ LYS 2 14.452 8.315 -9.478 25 H CYS 3 H CYS 3 8.039 6.339 -4.858 26 HA CYS 3 HA CYS 3 8.183 5.051 -2.148 27 1HB CYS 3 2HB CYS 3 6.219 6.580 -2.648 28 2HB CYS 3 1HB CYS 3 5.743 5.446 -3.908 29 H LYS 4 H LYS 4 9.101 3.068 -2.529 30 HA LYS 4 HA LYS 4 8.825 1.660 -5.074 31 1HB LYS 4 2HB LYS 4 10.890 1.442 -3.944 32 2HB LYS 4 1HB LYS 4 10.106 1.168 -2.389 33 1HG LYS 4 2HG LYS 4 9.517 -0.789 -4.558 34 2HG LYS 4 1HG LYS 4 11.128 -0.847 -3.842 35 1HD LYS 4 2HD LYS 4 9.726 -0.679 -1.577 36 2HD LYS 4 1HD LYS 4 8.475 -1.404 -2.588 37 1HE LYS 4 2HE LYS 4 9.928 -3.279 -3.142 38 2HE LYS 4 1HE LYS 4 11.286 -2.522 -2.285 39 1HZ LYS 4 1HZ LYS 4 8.707 -3.428 -1.125 40 2HZ LYS 4 2HZ LYS 4 9.823 -2.460 -0.286 41 3HZ LYS 4 3HZ LYS 4 10.254 -4.028 -0.777 42 H ILE 5 H ILE 5 7.450 -0.058 -5.519 43 HA ILE 5 HA ILE 5 5.815 -1.175 -3.279 44 HB ILE 5 HB ILE 5 4.924 0.102 -5.870 45 1HG1 ILE 5 2HG1 ILE 5 3.261 1.083 -4.099 46 2HG1 ILE 5 1HG1 ILE 5 4.448 0.513 -2.925 47 1HG2 ILE 5 1HG2 ILE 5 2.662 -0.779 -5.393 48 2HG2 ILE 5 2HG2 ILE 5 3.313 -1.708 -4.042 49 3HG2 ILE 5 3HG2 ILE 5 3.806 -2.088 -5.693 50 1HD1 ILE 5 1HD1 ILE 5 4.555 2.853 -4.620 51 2HD1 ILE 5 2HD1 ILE 5 5.932 1.801 -4.947 52 3HD1 ILE 5 3HD1 ILE 5 5.638 2.384 -3.308 53 H CYS 6 H CYS 6 4.912 -3.292 -3.792 54 HA CYS 6 HA CYS 6 5.653 -4.660 -6.281 55 1HB CYS 6 2HB CYS 6 7.314 -4.676 -3.861 56 2HB CYS 6 1HB CYS 6 6.923 -6.289 -4.437 57 H ASN 7 H ASN 7 4.899 -6.977 -6.193 58 HA ASN 7 HA ASN 7 2.277 -7.289 -5.244 59 1HB ASN 7 2HB ASN 7 4.516 -9.155 -6.002 60 2HB ASN 7 1HB ASN 7 2.961 -9.803 -5.481 61 1HD2 ASN 7 1HD2 ASN 7 4.575 -9.125 -8.252 62 2HD2 ASN 7 2HD2 ASN 7 3.283 -8.679 -9.257 63 H PHE 8 H PHE 8 2.118 -9.645 -3.796 64 HA PHE 8 HA PHE 8 2.464 -8.742 -1.080 65 1HB PHE 8 2HB PHE 8 0.656 -10.192 -1.627 66 2HB PHE 8 1HB PHE 8 1.724 -11.341 -2.433 67 HD1 PHE 8 HD1 PHE 8 1.979 -9.618 0.886 68 HD2 PHE 8 HD2 PHE 8 1.675 -13.346 -1.225 69 HE1 PHE 8 HE1 PHE 8 2.271 -10.849 3.018 70 HE2 PHE 8 HE2 PHE 8 1.966 -14.577 0.907 71 HZ PHE 8 HZ PHE 8 2.265 -13.330 3.029 72 H ASP 9 H ASP 9 4.839 -8.329 -1.068 73 HA ASP 9 HA ASP 9 7.056 -8.946 -0.534 74 1HB ASP 9 2HB ASP 9 5.592 -11.408 0.466 75 2HB ASP 9 1HB ASP 9 7.147 -10.805 1.041 76 H THR 10 H THR 10 5.622 -10.111 -3.101 77 HA THR 10 HA THR 10 7.631 -12.279 -3.617 78 HB THR 10 HB THR 10 5.158 -12.828 -3.618 79 HG1 THR 10 HG1 THR 10 5.675 -14.256 -5.049 80 1HG2 THR 10 1HG2 THR 10 4.573 -10.556 -4.635 81 2HG2 THR 10 2HG2 THR 10 3.737 -11.952 -5.315 82 3HG2 THR 10 3HG2 THR 10 5.094 -11.229 -6.179 83 H CYS 11 H CYS 11 7.700 -9.207 -3.936 84 HA CYS 11 HA CYS 11 8.811 -9.226 -6.690 85 1HB CYS 11 2HB CYS 11 6.573 -8.543 -7.084 86 2HB CYS 11 1HB CYS 11 6.539 -7.556 -5.629 87 H ARG 12 H ARG 12 10.764 -8.192 -6.631 88 HA ARG 12 HA ARG 12 11.586 -6.721 -4.227 89 1HB ARG 12 2HB ARG 12 12.993 -7.126 -6.888 90 2HB ARG 12 1HB ARG 12 13.748 -6.746 -5.338 91 1HG ARG 12 2HG ARG 12 12.566 -8.944 -4.529 92 2HG ARG 12 1HG ARG 12 12.502 -9.324 -6.250 93 1HD ARG 12 2HD ARG 12 15.006 -8.844 -6.337 94 2HD ARG 12 1HD ARG 12 14.969 -8.814 -4.562 95 HE ARG 12 HE ARG 12 14.165 -11.177 -6.214 96 1HH1 ARG 12 1HH2 ARG 12 13.045 -10.981 -3.407 97 2HH1 ARG 12 2HH2 ARG 12 14.209 -11.895 -2.506 98 1HH2 ARG 12 2HH1 ARG 12 16.611 -11.802 -5.008 99 2HH2 ARG 12 1HH1 ARG 12 16.228 -12.359 -3.413 100 H ALA 13 H ALA 13 12.197 -4.482 -4.233 101 HA ALA 13 HA ALA 13 10.666 -2.471 -5.064 102 1HB ALA 13 1HB ALA 13 13.671 -2.710 -5.188 103 2HB ALA 13 2HB ALA 13 12.680 -1.971 -3.929 104 3HB ALA 13 3HB ALA 13 12.864 -1.170 -5.490 105 H GLY 14 H GLY 14 9.516 -3.063 -7.021 106 1HA GLY 14 2HA GLY 14 11.067 -2.461 -9.506 107 2HA GLY 14 1HA GLY 14 9.851 -3.739 -9.467 108 H GLU 15 H GLU 15 8.091 -2.103 -7.667 109 HA GLU 15 HA GLU 15 6.976 -0.343 -9.816 110 1HB GLU 15 2HB GLU 15 5.921 -2.344 -8.154 111 2HB GLU 15 1HB GLU 15 5.309 -0.834 -7.475 112 1HG GLU 15 2HG GLU 15 4.134 -0.284 -9.397 113 2HG GLU 15 1HG GLU 15 5.213 -1.203 -10.446 114 H LEU 16 H LEU 16 8.850 1.162 -8.951 115 HA LEU 16 HA LEU 16 8.025 2.581 -6.463 116 1HB LEU 16 2HB LEU 16 10.303 1.921 -6.436 117 2HB LEU 16 1HB LEU 16 10.539 2.383 -8.122 118 HG LEU 16 HG LEU 16 9.630 4.633 -6.506 119 1HD1 LEU 16 1HD1 LEU 16 12.263 3.312 -5.775 120 2HD1 LEU 16 2HD1 LEU 16 10.855 3.445 -4.723 121 3HD1 LEU 16 3HD1 LEU 16 11.724 4.897 -5.219 122 1HD2 LEU 16 1HD2 LEU 16 12.211 5.081 -7.516 123 2HD2 LEU 16 2HD2 LEU 16 10.690 5.526 -8.289 124 3HD2 LEU 16 3HD2 LEU 16 11.458 3.986 -8.675 125 H LYS 17 H LYS 17 7.325 4.706 -6.536 126 HA LYS 17 HA LYS 17 7.477 6.150 -9.154 127 1HB LYS 17 2HB LYS 17 5.132 5.261 -7.543 128 2HB LYS 17 1HB LYS 17 5.030 6.866 -8.270 129 1HG LYS 17 2HG LYS 17 6.103 4.896 -10.134 130 2HG LYS 17 1HG LYS 17 4.498 4.450 -9.555 131 1HD LYS 17 2HD LYS 17 3.825 6.881 -10.060 132 2HD LYS 17 1HD LYS 17 5.332 6.985 -10.970 133 1HE LYS 17 2HE LYS 17 3.923 4.549 -11.670 134 2HE LYS 17 1HE LYS 17 2.880 5.964 -11.913 135 1HZ LYS 17 1HZ LYS 17 5.647 5.588 -12.928 136 2HZ LYS 17 2HZ LYS 17 4.804 7.061 -13.000 137 3HZ LYS 17 3HZ LYS 17 4.231 5.708 -13.853 138 H VAL 18 H VAL 18 6.074 8.436 -8.328 139 HA VAL 18 HA VAL 18 7.634 9.392 -5.955 140 HB VAL 18 HB VAL 18 7.739 11.556 -7.360 141 1HG1 VAL 18 1HG1 VAL 18 9.528 10.310 -8.924 142 2HG1 VAL 18 2HG1 VAL 18 9.226 9.006 -7.775 143 3HG1 VAL 18 3HG1 VAL 18 9.814 10.567 -7.203 144 1HG2 VAL 18 1HG2 VAL 18 6.027 10.905 -9.007 145 2HG2 VAL 18 2HG2 VAL 18 7.022 9.538 -9.509 146 3HG2 VAL 18 3HG2 VAL 18 7.574 11.187 -9.806 147 H CYS 19 H CYS 19 6.537 10.911 -4.645 148 HA CYS 19 HA CYS 19 4.074 12.218 -5.382 149 1HB CYS 19 2HB CYS 19 3.142 10.007 -5.361 150 2HB CYS 19 1HB CYS 19 3.982 9.599 -3.863 151 H ALA 20 H ALA 20 6.022 10.835 -2.746 152 HA ALA 20 HA ALA 20 5.063 12.485 -0.621 153 1HB ALA 20 1HB ALA 20 7.802 11.272 -1.126 154 2HB ALA 20 2HB ALA 20 6.433 10.433 -0.396 155 3HB ALA 20 3HB ALA 20 7.185 11.791 0.443 156 H SER 21 H SER 21 4.886 14.614 -1.747 157 HA SER 21 HA SER 21 7.535 16.017 -1.924 158 1HB SER 21 2HB SER 21 4.943 16.417 -3.451 159 2HB SER 21 1HB SER 21 6.365 17.443 -3.618 160 HG SER 21 HG SER 21 5.842 15.134 -4.816 161 H GLY 22 H GLY 22 4.113 16.267 -0.992 162 1HA GLY 22 2HA GLY 22 4.886 18.450 0.888 163 2HA GLY 22 1HA GLY 22 3.464 18.644 -0.139 164 H GLU 23 H GLU 23 1.581 17.433 0.341 165 HA GLU 23 HA GLU 23 1.650 16.034 2.994 166 1HB GLU 23 2HB GLU 23 -0.747 16.794 3.100 167 2HB GLU 23 1HB GLU 23 0.407 18.125 3.015 168 1HG GLU 23 2HG GLU 23 -0.547 17.082 0.407 169 2HG GLU 23 1HG GLU 23 -1.750 17.928 1.381 170 H LYS 24 H LYS 24 2.246 14.103 1.529 171 HA LYS 24 HA LYS 24 -0.256 12.677 0.802 172 1HB LYS 24 2HB LYS 24 2.086 13.205 -1.058 173 2HB LYS 24 1HB LYS 24 0.763 12.096 -1.417 174 1HG LYS 24 2HG LYS 24 -0.846 13.978 -1.165 175 2HG LYS 24 1HG LYS 24 0.512 15.074 -0.906 176 1HD LYS 24 2HD LYS 24 1.418 14.235 -3.154 177 2HD LYS 24 1HD LYS 24 -0.176 13.524 -3.408 178 1HE LYS 24 2HE LYS 24 -0.458 15.632 -4.396 179 2HE LYS 24 1HE LYS 24 -1.007 15.962 -2.741 180 1HZ LYS 24 1HZ LYS 24 0.675 17.567 -3.453 181 2HZ LYS 24 2HZ LYS 24 1.776 16.304 -3.731 182 3HZ LYS 24 3HZ LYS 24 1.233 16.630 -2.155 183 H TYR 25 H TYR 25 -0.057 10.740 1.874 184 HA TYR 25 HA TYR 25 2.687 9.623 2.294 185 1HB TYR 25 2HB TYR 25 0.073 8.943 3.669 186 2HB TYR 25 1HB TYR 25 1.701 8.556 4.219 187 HD1 TYR 25 HD1 TYR 25 3.015 11.197 3.503 188 HD2 TYR 25 HD2 TYR 25 -0.669 10.284 5.513 189 HE1 TYR 25 HE1 TYR 25 3.132 13.368 4.696 190 HE2 TYR 25 HE2 TYR 25 -0.553 12.456 6.708 191 HH TYR 25 HH TYR 25 0.504 14.425 6.843 192 H CYS 26 H CYS 26 3.102 7.453 1.686 193 HA CYS 26 HA CYS 26 1.467 6.353 -0.453 194 1HB CYS 26 2HB CYS 26 4.075 6.052 0.679 195 2HB CYS 26 1HB CYS 26 3.316 4.460 0.672 196 H PHE 27 H PHE 27 -0.384 5.193 -0.095 197 HA PHE 27 HA PHE 27 -0.850 4.034 2.602 198 1HB PHE 27 2HB PHE 27 -3.173 4.000 1.874 199 2HB PHE 27 1HB PHE 27 -2.478 5.568 1.470 200 HD1 PHE 27 HD1 PHE 27 -3.504 2.278 0.105 201 HD2 PHE 27 HD2 PHE 27 -2.167 6.255 -0.817 202 HE1 PHE 27 HE1 PHE 27 -4.078 1.919 -2.280 203 HE2 PHE 27 HE2 PHE 27 -2.742 5.895 -3.202 204 HZ PHE 27 HZ PHE 27 -3.698 3.727 -3.933 205 H LYS 28 H LYS 28 -0.761 1.864 2.944 206 HA LYS 28 HA LYS 28 -0.489 0.065 0.565 207 1HB LYS 28 2HB LYS 28 1.332 0.371 2.374 208 2HB LYS 28 1HB LYS 28 0.244 -0.516 3.441 209 1HG LYS 28 2HG LYS 28 0.795 -1.683 0.748 210 2HG LYS 28 1HG LYS 28 2.072 -1.780 1.961 211 1HD LYS 28 2HD LYS 28 -0.284 -2.469 3.326 212 2HD LYS 28 1HD LYS 28 -0.389 -3.306 1.777 213 1HE LYS 28 2HE LYS 28 0.860 -4.854 2.996 214 2HE LYS 28 1HE LYS 28 2.174 -3.866 2.328 215 1HZ LYS 28 1HZ LYS 28 1.979 -4.245 4.900 216 2HZ LYS 28 2HZ LYS 28 0.857 -2.973 4.792 217 3HZ LYS 28 3HZ LYS 28 2.461 -2.742 4.281 218 H GLU 29 H GLU 29 -2.433 -0.931 0.138 219 HA GLU 29 HA GLU 29 -4.193 -1.640 2.457 220 1HB GLU 29 2HB GLU 29 -4.566 -0.405 -0.124 221 2HB GLU 29 1HB GLU 29 -5.545 -1.868 -0.022 222 1HG GLU 29 2HG GLU 29 -5.817 -0.608 2.481 223 2HG GLU 29 1HG GLU 29 -5.950 0.682 1.285 224 H SER 30 H SER 30 -4.692 -3.789 2.785 225 HA SER 30 HA SER 30 -3.785 -5.758 0.708 226 1HB SER 30 2HB SER 30 -2.258 -6.109 2.410 227 2HB SER 30 1HB SER 30 -3.349 -5.505 3.650 228 HG SER 30 HG SER 30 -2.856 -7.929 3.356 229 H TRP 31 H TRP 31 -5.638 -6.643 -0.140 230 HA TRP 31 HA TRP 31 -8.089 -6.844 1.504 231 1HB TRP 31 2HB TRP 31 -7.370 -6.518 -1.235 232 2HB TRP 31 1HB TRP 31 -8.280 -8.025 -1.109 233 HD1 TRP 31 HD1 TRP 31 -10.536 -7.651 0.701 234 HE1 TRP 31 HE1 TRP 31 -12.307 -5.791 0.489 235 HE3 TRP 31 HE3 TRP 31 -7.945 -4.283 -2.133 236 HZ2 TRP 31 HZ2 TRP 31 -12.589 -3.216 -0.722 237 HZ3 TRP 31 HZ3 TRP 31 -8.989 -2.136 -2.800 238 HH2 TRP 31 HH2 TRP 31 -11.305 -1.599 -2.099 239 H ARG 32 H ARG 32 -8.357 -8.656 2.742 240 HA ARG 32 HA ARG 32 -6.891 -11.141 2.088 241 1HB ARG 32 2HB ARG 32 -8.023 -9.795 4.388 242 2HB ARG 32 1HB ARG 32 -8.587 -11.465 4.323 243 1HG ARG 32 2HG ARG 32 -6.153 -12.129 3.926 244 2HG ARG 32 1HG ARG 32 -5.730 -10.475 4.373 245 1HD ARG 32 2HD ARG 32 -7.571 -11.939 6.216 246 2HD ARG 32 1HD ARG 32 -5.861 -12.417 6.218 247 HE ARG 32 HE ARG 32 -5.544 -9.769 6.333 248 1HH1 ARG 32 1HH2 ARG 32 -8.587 -9.818 7.053 249 2HH1 ARG 32 2HH2 ARG 32 -8.484 -9.623 8.771 250 1HH2 ARG 32 2HH1 ARG 32 -5.096 -10.353 8.917 251 2HH2 ARG 32 1HH1 ARG 32 -6.507 -9.925 9.826 252 H GLU 33 H GLU 33 -8.131 -11.696 0.128 253 HA GLU 33 HA GLU 33 -10.967 -12.000 0.036 254 1HB GLU 33 2HB GLU 33 -8.573 -12.741 -1.485 255 2HB GLU 33 1HB GLU 33 -9.878 -13.916 -1.655 256 1HG GLU 33 2HG GLU 33 -10.969 -12.528 -3.044 257 2HG GLU 33 1HG GLU 33 -11.010 -11.290 -1.789 258 H ALA 34 H ALA 34 -12.299 -13.673 0.720 259 HA ALA 34 HA ALA 34 -11.628 -15.423 2.795 260 1HB ALA 34 1HB ALA 34 -13.868 -15.587 2.550 261 2HB ALA 34 2HB ALA 34 -13.586 -16.701 1.212 262 3HB ALA 34 3HB ALA 34 -13.771 -14.975 0.899 263 H ARG 35 H ARG 35 -11.232 -15.891 -0.692 264 HA ARG 35 HA ARG 35 -9.898 -18.519 -0.118 265 1HB ARG 35 2HB ARG 35 -11.704 -17.527 -2.319 266 2HB ARG 35 1HB ARG 35 -10.625 -18.893 -2.601 267 1HG ARG 35 2HG ARG 35 -12.020 -20.272 -1.499 268 2HG ARG 35 1HG ARG 35 -11.958 -19.238 -0.071 269 1HD ARG 35 2HD ARG 35 -13.928 -18.166 -0.601 270 2HD ARG 35 1HD ARG 35 -13.630 -18.270 -2.348 271 HE ARG 35 HE ARG 35 -14.368 -20.683 -0.732 272 1HH1 ARG 35 2HH1 ARG 35 -13.552 -20.802 -3.680 273 2HH1 ARG 35 1HH1 ARG 35 -15.104 -20.879 -4.446 274 1HH2 ARG 35 1HH2 ARG 35 -16.843 -19.849 -1.631 275 2HH2 ARG 35 2HH2 ARG 35 -16.966 -20.341 -3.288 276 H GLY 36 H GLY 36 -8.612 -15.872 -0.122 277 1HA GLY 36 2HA GLY 36 -6.240 -16.336 -1.472 278 2HA GLY 36 1HA GLY 36 -7.251 -15.529 -2.671 279 H THR 37 H THR 37 -5.437 -13.865 -2.404 280 HA THR 37 HA THR 37 -6.380 -11.766 -0.559 281 HB THR 37 HB THR 37 -3.549 -12.840 -0.406 282 HG1 THR 37 HG1 THR 37 -4.185 -13.962 1.342 283 1HG2 THR 37 1HG2 THR 37 -5.017 -11.096 1.570 284 2HG2 THR 37 2HG2 THR 37 -4.111 -10.411 0.221 285 3HG2 THR 37 3HG2 THR 37 -3.281 -11.378 1.440 286 H ARG 38 H ARG 38 -5.598 -9.682 -1.187 287 HA ARG 38 HA ARG 38 -3.822 -9.580 -3.592 288 1HB ARG 38 2HB ARG 38 -6.677 -8.952 -3.318 289 2HB ARG 38 1HB ARG 38 -5.745 -7.622 -4.006 290 1HG ARG 38 2HG ARG 38 -5.244 -10.386 -5.040 291 2HG ARG 38 1HG ARG 38 -6.711 -9.552 -5.556 292 1HD ARG 38 2HD ARG 38 -4.182 -7.970 -5.652 293 2HD ARG 38 1HD ARG 38 -4.384 -9.244 -6.871 294 HE ARG 38 HE ARG 38 -6.292 -8.083 -7.729 295 1HH1 ARG 38 1HH2 ARG 38 -4.780 -5.603 -7.364 296 2HH1 ARG 38 2HH2 ARG 38 -5.827 -4.636 -6.379 297 1HH2 ARG 38 2HH1 ARG 38 -7.776 -7.316 -5.358 298 2HH2 ARG 38 1HH1 ARG 38 -7.524 -5.606 -5.243 299 H ILE 39 H ILE 39 -2.201 -8.126 -3.173 300 HA ILE 39 HA ILE 39 -2.651 -6.074 -1.048 301 HB ILE 39 HB ILE 39 -0.788 -7.840 -1.006 302 1HG1 ILE 39 2HG1 ILE 39 -0.116 -4.884 -0.893 303 2HG1 ILE 39 1HG1 ILE 39 -0.697 -5.884 0.438 304 1HG2 ILE 39 1HG2 ILE 39 1.052 -7.627 -2.457 305 2HG2 ILE 39 2HG2 ILE 39 0.601 -5.990 -2.937 306 3HG2 ILE 39 3HG2 ILE 39 -0.329 -7.368 -3.525 307 1HD1 ILE 39 1HD1 ILE 39 1.331 -7.223 0.385 308 2HD1 ILE 39 2HD1 ILE 39 1.780 -5.521 0.494 309 3HD1 ILE 39 3HD1 ILE 39 1.900 -6.369 -1.048 310 H GLU 40 H GLU 40 -2.777 -3.944 -1.641 311 HA GLU 40 HA GLU 40 -1.720 -3.148 -4.332 312 1HB GLU 40 2HB GLU 40 -4.248 -3.528 -4.116 313 2HB GLU 40 1HB GLU 40 -4.264 -2.124 -3.049 314 1HG GLU 40 2HG GLU 40 -3.589 -0.657 -4.763 315 2HG GLU 40 1HG GLU 40 -2.983 -1.971 -5.772 316 H ARG 41 H ARG 41 -0.703 -1.116 -4.358 317 HA ARG 41 HA ARG 41 -0.674 0.403 -1.770 318 1HB ARG 41 2HB ARG 41 1.481 -0.715 -3.500 319 2HB ARG 41 1HB ARG 41 1.783 0.867 -2.781 320 1HG ARG 41 2HG ARG 41 1.591 0.039 -0.581 321 2HG ARG 41 1HG ARG 41 0.755 -1.422 -1.109 322 1HD ARG 41 2HD ARG 41 2.714 -2.480 -1.736 323 2HD ARG 41 1HD ARG 41 3.520 -0.957 -2.161 324 HE ARG 41 HE ARG 41 3.011 -0.838 0.609 325 1HH1 ARG 41 2HH1 ARG 41 3.793 -3.815 -0.166 326 2HH1 ARG 41 1HH1 ARG 41 5.456 -3.790 0.315 327 1HH2 ARG 41 1HH2 ARG 41 5.593 -0.337 0.611 328 2HH2 ARG 41 2HH2 ARG 41 6.476 -1.820 0.756 329 H GLY 42 H GLY 42 0.219 2.710 -2.199 330 1HA GLY 42 2HA GLY 42 0.256 3.931 -4.734 331 2HA GLY 42 1HA GLY 42 -1.420 3.986 -4.186 332 H CYS 43 H CYS 43 -1.150 6.352 -4.115 333 HA CYS 43 HA CYS 43 0.160 7.219 -1.563 334 1HB CYS 43 2HB CYS 43 1.360 7.671 -3.843 335 2HB CYS 43 1HB CYS 43 0.116 8.901 -4.063 336 H ALA 44 H ALA 44 -1.243 8.386 -0.294 337 HA ALA 44 HA ALA 44 -3.325 10.085 -1.503 338 1HB ALA 44 1HB ALA 44 -4.725 8.423 0.318 339 2HB ALA 44 2HB ALA 44 -3.776 7.347 -0.707 340 3HB ALA 44 3HB ALA 44 -4.914 8.482 -1.434 341 H ALA 45 H ALA 45 -4.901 10.574 0.656 342 HA ALA 45 HA ALA 45 -2.999 11.301 2.861 343 1HB ALA 45 1HB ALA 45 -4.925 13.272 2.823 344 2HB ALA 45 2HB ALA 45 -4.757 12.888 1.110 345 3HB ALA 45 3HB ALA 45 -3.348 13.396 2.042 346 H THR 46 H THR 46 -6.116 10.045 1.938 347 HA THR 46 HA THR 46 -7.032 10.094 4.787 348 HB THR 46 HB THR 46 -9.208 9.364 3.492 349 HG1 THR 46 HG1 THR 46 -7.981 10.779 1.416 350 1HG2 THR 46 1HG2 THR 46 -9.297 11.464 4.496 351 2HG2 THR 46 2HG2 THR 46 -9.444 11.888 2.791 352 3HG2 THR 46 3HG2 THR 46 -7.892 12.057 3.610 353 H CYS 47 H CYS 47 -6.822 8.189 5.891 354 HA CYS 47 HA CYS 47 -6.481 5.663 4.328 355 1HB CYS 47 2HB CYS 47 -5.852 6.271 7.231 356 2HB CYS 47 1HB CYS 47 -5.265 4.913 6.274 357 HA PRO 48 HA PRO 48 -10.607 4.941 6.034 358 1HB PRO 48 2HB PRO 48 -11.242 2.947 4.274 359 2HB PRO 48 1HB PRO 48 -11.379 4.670 3.866 360 1HG PRO 48 2HG PRO 48 -9.275 2.711 3.121 361 2HG PRO 48 1HG PRO 48 -9.954 4.051 2.187 362 1HD PRO 48 2HD PRO 48 -7.525 4.129 3.472 363 2HD PRO 48 1HD PRO 48 -8.490 5.563 3.062 364 H LYS 49 H LYS 49 -11.603 2.381 6.204 365 HA LYS 49 HA LYS 49 -9.433 0.851 7.607 366 1HB LYS 49 2HB LYS 49 -11.073 0.326 9.306 367 2HB LYS 49 1HB LYS 49 -11.136 2.068 9.036 368 1HG LYS 49 2HG LYS 49 -13.075 1.806 7.571 369 2HG LYS 49 1HG LYS 49 -12.986 0.052 7.731 370 1HD LYS 49 2HD LYS 49 -13.015 0.960 10.365 371 2HD LYS 49 1HD LYS 49 -14.166 2.013 9.540 372 1HE LYS 49 2HE LYS 49 -14.463 -0.772 8.700 373 2HE LYS 49 1HE LYS 49 -14.708 -0.567 10.446 374 1HZ LYS 49 1HZ LYS 49 -16.767 -0.022 9.523 375 2HZ LYS 49 2HZ LYS 49 -16.077 0.822 8.221 376 3HZ LYS 49 3HZ LYS 49 -16.038 1.487 9.784 377 H GLY 50 H GLY 50 -11.196 -1.358 8.195 378 1HA GLY 50 2HA GLY 50 -11.994 -2.329 5.494 379 2HA GLY 50 1HA GLY 50 -10.876 -3.297 6.456 380 H SER 51 H SER 51 -12.413 -5.035 6.577 381 HA SER 51 HA SER 51 -14.307 -4.758 8.806 382 1HB SER 51 2HB SER 51 -16.255 -5.384 7.393 383 2HB SER 51 1HB SER 51 -15.554 -3.852 6.881 384 HG SER 51 HG SER 51 -14.225 -5.490 5.502 385 H VAL 52 H VAL 52 -15.766 -7.064 8.473 386 HA VAL 52 HA VAL 52 -14.069 -9.156 9.259 387 HB VAL 52 HB VAL 52 -16.575 -8.990 9.418 388 1HG1 VAL 52 1HG1 VAL 52 -17.915 -9.651 7.490 389 2HG1 VAL 52 2HG1 VAL 52 -16.460 -9.900 6.527 390 3HG1 VAL 52 3HG1 VAL 52 -16.906 -8.275 7.047 391 1HG2 VAL 52 1HG2 VAL 52 -16.931 -11.353 9.295 392 2HG2 VAL 52 2HG2 VAL 52 -15.224 -11.147 9.682 393 3HG2 VAL 52 3HG2 VAL 52 -15.712 -11.540 8.033 394 H TYR 53 H TYR 53 -14.781 -7.988 6.031 395 HA TYR 53 HA TYR 53 -14.070 -10.264 4.478 396 1HB TYR 53 2HB TYR 53 -14.255 -7.315 4.181 397 2HB TYR 53 1HB TYR 53 -13.267 -8.140 2.975 398 HD1 TYR 53 HD1 TYR 53 -14.416 -8.663 1.026 399 HD2 TYR 53 HD2 TYR 53 -16.479 -8.872 4.788 400 HE1 TYR 53 HE1 TYR 53 -16.470 -9.416 -0.142 401 HE2 TYR 53 HE2 TYR 53 -18.532 -9.625 3.620 402 HH TYR 53 HH TYR 53 -18.631 -10.887 0.709 403 H GLY 54 H GLY 54 -12.045 -7.653 5.829 404 1HA GLY 54 2HA GLY 54 -9.779 -8.329 6.648 405 2HA GLY 54 1HA GLY 54 -9.652 -9.340 5.206 406 H LEU 55 H LEU 55 -10.577 -5.932 5.806 407 HA LEU 55 HA LEU 55 -8.925 -5.152 3.449 408 1HB LEU 55 2HB LEU 55 -11.437 -4.391 4.642 409 2HB LEU 55 1HB LEU 55 -10.383 -2.979 4.552 410 HG LEU 55 HG LEU 55 -10.147 -4.488 2.114 411 1HD1 LEU 55 1HD1 LEU 55 -12.527 -4.051 1.334 412 2HD1 LEU 55 2HD1 LEU 55 -12.954 -3.815 3.029 413 3HD1 LEU 55 3HD1 LEU 55 -12.347 -5.377 2.481 414 1HD2 LEU 55 1HD2 LEU 55 -9.922 -2.357 1.421 415 2HD2 LEU 55 2HD2 LEU 55 -10.341 -1.805 3.042 416 3HD2 LEU 55 3HD2 LEU 55 -11.605 -2.024 1.831 417 H TYR 56 H TYR 56 -6.810 -5.040 4.339 418 HA TYR 56 HA TYR 56 -6.385 -3.465 6.820 419 1HB TYR 56 2HB TYR 56 -5.238 -5.612 6.491 420 2HB TYR 56 1HB TYR 56 -4.549 -5.030 4.977 421 HD1 TYR 56 HD1 TYR 56 -4.061 -5.306 8.491 422 HD2 TYR 56 HD2 TYR 56 -3.144 -2.826 5.108 423 HE1 TYR 56 HE1 TYR 56 -2.168 -4.304 9.741 424 HE2 TYR 56 HE2 TYR 56 -1.251 -1.822 6.357 425 HH TYR 56 HH TYR 56 -0.013 -3.154 9.199 426 H VAL 57 H VAL 57 -5.148 -1.517 6.820 427 HA VAL 57 HA VAL 57 -4.206 -0.426 4.228 428 HB VAL 57 HB VAL 57 -6.572 0.162 4.322 429 1HG1 VAL 57 1HG1 VAL 57 -7.628 0.605 6.266 430 2HG1 VAL 57 2HG1 VAL 57 -6.483 1.886 6.661 431 3HG1 VAL 57 3HG1 VAL 57 -6.120 0.215 7.091 432 1HG2 VAL 57 1HG2 VAL 57 -5.120 2.647 5.224 433 2HG2 VAL 57 2HG2 VAL 57 -6.357 2.485 3.977 434 3HG2 VAL 57 3HG2 VAL 57 -4.724 1.883 3.684 435 H LEU 58 H LEU 58 -2.360 0.765 4.581 436 HA LEU 58 HA LEU 58 -1.944 2.043 7.245 437 1HB LEU 58 2HB LEU 58 -0.974 -0.163 7.437 438 2HB LEU 58 1HB LEU 58 -0.178 -0.002 5.871 439 HG LEU 58 HG LEU 58 0.590 2.234 7.470 440 1HD1 LEU 58 1HD1 LEU 58 1.876 0.334 9.040 441 2HD1 LEU 58 2HD1 LEU 58 0.213 -0.249 8.970 442 3HD1 LEU 58 3HD1 LEU 58 0.554 1.376 9.564 443 1HD2 LEU 58 1HD2 LEU 58 2.650 0.245 7.258 444 2HD2 LEU 58 2HD2 LEU 58 2.468 1.732 6.331 445 3HD2 LEU 58 3HD2 LEU 58 1.710 0.244 5.766 446 H CYS 59 H CYS 59 -1.442 4.149 6.743 447 HA CYS 59 HA CYS 59 -0.091 4.735 4.153 448 1HB CYS 59 2HB CYS 59 -1.248 6.653 6.192 449 2HB CYS 59 1HB CYS 59 -0.948 6.953 4.482 450 H CYS 60 H CYS 60 1.923 5.759 4.086 451 HA CYS 60 HA CYS 60 3.208 6.628 6.608 452 1HB CYS 60 2HB CYS 60 5.212 5.068 5.698 453 2HB CYS 60 1HB CYS 60 4.004 4.475 6.826 454 H THR 61 H THR 61 5.599 7.326 5.976 455 HA THR 61 HA THR 61 5.861 8.279 3.213 456 HB THR 61 HB THR 61 4.482 10.021 4.069 457 HG1 THR 61 HG1 THR 61 6.972 11.096 4.746 458 1HG2 THR 61 1HG2 THR 61 5.552 11.086 6.342 459 2HG2 THR 61 2HG2 THR 61 5.907 9.374 6.575 460 3HG2 THR 61 3HG2 THR 61 4.243 9.903 6.329 461 H THR 62 H THR 62 7.940 9.961 3.383 462 HA THR 62 HA THR 62 10.284 9.992 3.715 463 HB THR 62 HB THR 62 9.449 8.916 6.426 464 HG1 THR 62 HG1 THR 62 9.480 11.331 6.787 465 1HG2 THR 62 1HG2 THR 62 11.456 10.932 6.526 466 2HG2 THR 62 2HG2 THR 62 11.941 9.762 5.298 467 3HG2 THR 62 3HG2 THR 62 11.611 9.226 6.946 468 H ASP 63 H ASP 63 11.156 8.372 2.406 469 HA ASP 63 HA ASP 63 12.237 6.315 1.951 470 1HB ASP 63 2HB ASP 63 12.766 6.834 4.493 471 2HB ASP 63 1HB ASP 63 11.673 5.480 4.780 472 H ASP 64 H ASP 64 11.382 4.491 0.995 473 HA ASP 64 HA ASP 64 9.813 2.793 0.474 474 1HB ASP 64 2HB ASP 64 9.816 3.192 3.379 475 2HB ASP 64 1HB ASP 64 8.307 2.504 2.782 476 H CYS 65 H CYS 65 7.809 4.706 2.795 477 HA CYS 65 HA CYS 65 5.691 4.857 0.745 478 1HB CYS 65 2HB CYS 65 5.880 5.833 3.611 479 2HB CYS 65 1HB CYS 65 4.401 5.737 2.654 480 H ASN 66 HN ASN 66 8.329 6.492 0.688 481 HA ASN 66 HA ASN 66 7.223 9.254 0.821 482 1HB ASN 66 2HB ASN 66 9.599 9.871 0.644 483 2HB ASN 66 1HB ASN 66 9.382 8.657 1.904 484 1HD2 ASN 66 1HD2 ASN 66 11.566 9.373 -0.364 485 2HD2 ASN 66 2HD2 ASN 66 12.019 7.823 -0.888 Start of MODEL 6 1 1H MET 1 1H MET 1 12.574 11.560 -3.087 2 2H MET 1 2H MET 1 13.200 10.615 -1.821 3 3H MET 1 3H MET 1 12.840 12.255 -1.563 4 HA MET 1 HA MET 1 11.180 10.471 -0.723 5 1HB MET 1 2HB MET 1 11.019 13.147 -1.902 6 2HB MET 1 1HB MET 1 9.468 12.308 -1.926 7 1HG MET 1 2HG MET 1 9.530 11.948 0.447 8 2HG MET 1 1HG MET 1 11.208 12.479 0.545 9 1HE MET 1 1HE MET 1 8.640 13.044 1.995 10 2HE MET 1 2HE MET 1 8.016 14.691 1.937 11 3HE MET 1 3HE MET 1 9.585 14.377 2.673 12 H LYS 2 H LYS 2 10.425 8.576 -1.607 13 HA LYS 2 HA LYS 2 8.991 8.713 -4.209 14 1HB LYS 2 2HB LYS 2 11.409 7.035 -3.522 15 2HB LYS 2 1HB LYS 2 10.308 6.579 -4.823 16 1HG LYS 2 2HG LYS 2 10.681 8.738 -5.928 17 2HG LYS 2 1HG LYS 2 11.746 9.241 -4.613 18 1HD LYS 2 2HD LYS 2 12.941 6.918 -5.240 19 2HD LYS 2 1HD LYS 2 12.244 7.298 -6.815 20 1HE LYS 2 2HE LYS 2 13.774 9.395 -5.269 21 2HE LYS 2 1HE LYS 2 14.614 8.233 -6.316 22 1HZ LYS 2 1HZ LYS 2 13.060 8.827 -8.104 23 2HZ LYS 2 2HZ LYS 2 13.988 10.160 -7.603 24 3HZ LYS 2 3HZ LYS 2 12.369 10.013 -7.109 25 H CYS 3 H CYS 3 8.514 6.001 -4.518 26 HA CYS 3 HA CYS 3 7.609 4.829 -1.971 27 1HB CYS 3 2HB CYS 3 5.944 6.610 -2.648 28 2HB CYS 3 1HB CYS 3 5.613 5.669 -4.099 29 H LYS 4 H LYS 4 8.581 2.879 -2.474 30 HA LYS 4 HA LYS 4 8.489 1.700 -5.142 31 1HB LYS 4 2HB LYS 4 10.223 1.568 -3.157 32 2HB LYS 4 1HB LYS 4 9.205 0.229 -2.626 33 1HG LYS 4 2HG LYS 4 9.417 -0.574 -5.111 34 2HG LYS 4 1HG LYS 4 10.828 0.484 -5.145 35 1HD LYS 4 2HD LYS 4 11.392 -0.766 -2.868 36 2HD LYS 4 1HD LYS 4 10.377 -2.023 -3.577 37 1HE LYS 4 2HE LYS 4 11.846 -1.657 -5.719 38 2HE LYS 4 1HE LYS 4 12.998 -0.930 -4.581 39 1HZ LYS 4 1HZ LYS 4 13.399 -3.284 -4.686 40 2HZ LYS 4 2HZ LYS 4 11.764 -3.627 -4.376 41 3HZ LYS 4 3HZ LYS 4 12.731 -2.919 -3.171 42 H ILE 5 H ILE 5 6.768 0.560 -5.917 43 HA ILE 5 HA ILE 5 4.796 -0.581 -3.984 44 HB ILE 5 HB ILE 5 4.728 0.027 -6.957 45 1HG1 ILE 5 2HG1 ILE 5 2.939 1.274 -4.904 46 2HG1 ILE 5 1HG1 ILE 5 4.607 1.836 -5.006 47 1HG2 ILE 5 1HG2 ILE 5 3.260 -1.916 -5.678 48 2HG2 ILE 5 2HG2 ILE 5 2.747 -1.063 -7.134 49 3HG2 ILE 5 3HG2 ILE 5 2.201 -0.512 -5.550 50 1HD1 ILE 5 1HD1 ILE 5 3.852 1.730 -7.660 51 2HD1 ILE 5 2HD1 ILE 5 3.870 3.189 -6.669 52 3HD1 ILE 5 3HD1 ILE 5 2.375 2.274 -6.863 53 H CYS 6 H CYS 6 5.164 -2.720 -3.529 54 HA CYS 6 HA CYS 6 6.234 -4.465 -5.724 55 1HB CYS 6 2HB CYS 6 6.593 -4.446 -2.717 56 2HB CYS 6 1HB CYS 6 7.082 -5.812 -3.721 57 H ASN 7 H ASN 7 5.741 -6.921 -4.547 58 HA ASN 7 HA ASN 7 2.746 -7.003 -4.505 59 1HB ASN 7 2HB ASN 7 4.836 -8.408 -5.893 60 2HB ASN 7 1HB ASN 7 3.939 -9.560 -4.906 61 1HD2 ASN 7 1HD2 ASN 7 3.926 -8.108 -7.925 62 2HD2 ASN 7 2HD2 ASN 7 2.278 -8.276 -8.296 63 H PHE 8 H PHE 8 2.724 -9.744 -3.520 64 HA PHE 8 HA PHE 8 2.792 -9.225 -0.662 65 1HB PHE 8 2HB PHE 8 1.207 -10.706 -2.001 66 2HB PHE 8 1HB PHE 8 2.530 -11.867 -2.120 67 HD1 PHE 8 HD1 PHE 8 2.539 -13.570 -0.539 68 HD2 PHE 8 HD2 PHE 8 0.934 -9.731 0.533 69 HE1 PHE 8 HE1 PHE 8 1.987 -14.430 1.721 70 HE2 PHE 8 HE2 PHE 8 0.383 -10.592 2.792 71 HZ PHE 8 HZ PHE 8 0.910 -12.941 3.386 72 H ASP 9 H ASP 9 4.953 -8.866 0.014 73 HA ASP 9 HA ASP 9 7.104 -9.513 0.748 74 1HB ASP 9 2HB ASP 9 5.370 -11.846 0.653 75 2HB ASP 9 1HB ASP 9 7.053 -12.295 0.374 76 H THR 10 H THR 10 6.514 -9.020 -2.179 77 HA THR 10 HA THR 10 9.072 -10.069 -3.212 78 HB THR 10 HB THR 10 7.387 -11.871 -3.574 79 HG1 THR 10 HG1 THR 10 8.263 -12.232 -5.445 80 1HG2 THR 10 1HG2 THR 10 5.543 -11.430 -5.180 81 2HG2 THR 10 2HG2 THR 10 5.987 -9.723 -5.188 82 3HG2 THR 10 3HG2 THR 10 5.388 -10.473 -3.708 83 H CYS 11 H CYS 11 9.936 -8.567 -4.622 84 HA CYS 11 HA CYS 11 8.189 -6.281 -5.419 85 1HB CYS 11 2HB CYS 11 11.131 -6.734 -4.956 86 2HB CYS 11 1HB CYS 11 10.586 -5.336 -5.884 87 H ARG 12 H ARG 12 7.862 -8.633 -6.943 88 HA ARG 12 HA ARG 12 9.527 -8.845 -9.244 89 1HB ARG 12 2HB ARG 12 7.605 -10.065 -10.155 90 2HB ARG 12 1HB ARG 12 7.820 -10.477 -8.452 91 1HG ARG 12 2HG ARG 12 6.123 -8.818 -7.827 92 2HG ARG 12 1HG ARG 12 5.908 -8.390 -9.523 93 1HD ARG 12 2HD ARG 12 5.538 -11.235 -8.555 94 2HD ARG 12 1HD ARG 12 4.203 -10.065 -8.572 95 HE ARG 12 HE ARG 12 5.702 -10.977 -10.986 96 1HH1 ARG 12 2HH1 ARG 12 4.354 -8.124 -10.596 97 2HH1 ARG 12 1HH1 ARG 12 2.929 -8.372 -11.549 98 1HH2 ARG 12 1HH2 ARG 12 3.329 -11.812 -11.732 99 2HH2 ARG 12 2HH2 ARG 12 2.347 -10.460 -12.191 100 H ALA 13 H ALA 13 7.095 -6.544 -8.357 101 HA ALA 13 HA ALA 13 6.838 -5.502 -11.126 102 1HB ALA 13 1HB ALA 13 4.793 -4.953 -10.333 103 2HB ALA 13 2HB ALA 13 5.526 -3.951 -9.080 104 3HB ALA 13 3HB ALA 13 5.239 -5.666 -8.782 105 H GLY 14 H GLY 14 7.977 -4.460 -7.905 106 1HA GLY 14 2HA GLY 14 9.344 -2.654 -7.284 107 2HA GLY 14 1HA GLY 14 10.159 -2.942 -8.822 108 H GLU 15 H GLU 15 6.784 -1.936 -8.316 109 HA GLU 15 HA GLU 15 7.113 0.225 -10.269 110 1HB GLU 15 2HB GLU 15 4.936 -1.005 -8.614 111 2HB GLU 15 1HB GLU 15 4.652 0.583 -9.327 112 1HG GLU 15 2HG GLU 15 5.651 -0.626 -11.490 113 2HG GLU 15 1HG GLU 15 5.026 -2.057 -10.670 114 H LEU 16 H LEU 16 8.811 1.402 -8.960 115 HA LEU 16 HA LEU 16 7.820 2.730 -6.508 116 1HB LEU 16 2HB LEU 16 10.037 1.911 -6.362 117 2HB LEU 16 1HB LEU 16 10.447 2.498 -7.974 118 HG LEU 16 HG LEU 16 9.557 4.675 -6.270 119 1HD1 LEU 16 1HD1 LEU 16 11.115 2.674 -4.964 120 2HD1 LEU 16 2HD1 LEU 16 10.651 4.261 -4.350 121 3HD1 LEU 16 3HD1 LEU 16 12.159 4.067 -5.245 122 1HD2 LEU 16 1HD2 LEU 16 12.371 4.466 -7.189 123 2HD2 LEU 16 2HD2 LEU 16 11.210 5.775 -7.410 124 3HD2 LEU 16 3HD2 LEU 16 11.147 4.354 -8.453 125 H LYS 17 H LYS 17 7.365 4.923 -6.392 126 HA LYS 17 HA LYS 17 7.847 6.624 -8.788 127 1HB LYS 17 2HB LYS 17 5.502 5.317 -8.488 128 2HB LYS 17 1HB LYS 17 5.156 6.745 -7.514 129 1HG LYS 17 2HG LYS 17 6.002 8.130 -9.484 130 2HG LYS 17 1HG LYS 17 5.950 6.640 -10.429 131 1HD LYS 17 2HD LYS 17 3.633 6.499 -10.337 132 2HD LYS 17 1HD LYS 17 3.533 7.427 -8.841 133 1HE LYS 17 2HE LYS 17 4.585 8.786 -11.307 134 2HE LYS 17 1HE LYS 17 2.833 8.571 -11.116 135 1HZ LYS 17 1HZ LYS 17 2.762 9.928 -9.337 136 2HZ LYS 17 2HZ LYS 17 4.194 10.571 -9.986 137 3HZ LYS 17 3HZ LYS 17 4.266 9.420 -8.739 138 H VAL 18 H VAL 18 6.096 8.709 -7.698 139 HA VAL 18 HA VAL 18 7.579 9.406 -5.190 140 HB VAL 18 HB VAL 18 7.453 11.765 -6.195 141 1HG1 VAL 18 1HG1 VAL 18 9.036 9.731 -7.786 142 2HG1 VAL 18 2HG1 VAL 18 9.486 10.259 -6.164 143 3HG1 VAL 18 3HG1 VAL 18 9.458 11.418 -7.493 144 1HG2 VAL 18 1HG2 VAL 18 7.017 11.968 -8.539 145 2HG2 VAL 18 2HG2 VAL 18 5.686 11.013 -7.884 146 3HG2 VAL 18 3HG2 VAL 18 6.999 10.218 -8.754 147 H CYS 19 H CYS 19 6.180 9.819 -3.538 148 HA CYS 19 HA CYS 19 3.542 11.075 -4.139 149 1HB CYS 19 2HB CYS 19 4.054 8.499 -2.619 150 2HB CYS 19 1HB CYS 19 2.500 9.332 -2.649 151 H ALA 20 H ALA 20 5.389 9.692 -1.379 152 HA ALA 20 HA ALA 20 4.415 11.544 0.569 153 1HB ALA 20 1HB ALA 20 6.210 10.625 1.922 154 2HB ALA 20 2HB ALA 20 7.092 10.116 0.482 155 3HB ALA 20 3HB ALA 20 5.576 9.324 0.913 156 H SER 21 H SER 21 4.634 13.548 -0.877 157 HA SER 21 HA SER 21 7.022 15.047 -0.096 158 1HB SER 21 2HB SER 21 7.692 15.440 -2.494 159 2HB SER 21 1HB SER 21 7.902 13.771 -1.970 160 HG SER 21 HG SER 21 6.833 13.946 -4.000 161 H GLY 22 H GLY 22 4.090 15.297 0.148 162 1HA GLY 22 2HA GLY 22 3.642 17.994 -0.109 163 2HA GLY 22 1HA GLY 22 3.257 17.386 -1.721 164 H GLU 23 H GLU 23 2.591 16.444 1.675 165 HA GLU 23 HA GLU 23 0.545 15.822 2.687 166 1HB GLU 23 2HB GLU 23 0.010 18.035 1.455 167 2HB GLU 23 1HB GLU 23 -0.747 17.017 0.228 168 1HG GLU 23 2HG GLU 23 -2.592 17.255 1.554 169 2HG GLU 23 1HG GLU 23 -1.840 15.952 2.476 170 H LYS 24 H LYS 24 1.878 14.319 0.222 171 HA LYS 24 HA LYS 24 -0.477 12.602 -0.464 172 1HB LYS 24 2HB LYS 24 1.717 13.756 -1.902 173 2HB LYS 24 1HB LYS 24 1.868 12.000 -1.982 174 1HG LYS 24 2HG LYS 24 0.480 12.819 -3.838 175 2HG LYS 24 1HG LYS 24 -0.488 11.842 -2.733 176 1HD LYS 24 2HD LYS 24 -0.876 14.232 -1.584 177 2HD LYS 24 1HD LYS 24 -0.571 14.781 -3.233 178 1HE LYS 24 2HE LYS 24 -2.287 12.933 -3.923 179 2HE LYS 24 1HE LYS 24 -2.791 13.008 -2.223 180 1HZ LYS 24 1HZ LYS 24 -2.824 15.490 -2.512 181 2HZ LYS 24 2HZ LYS 24 -4.043 14.648 -3.343 182 3HZ LYS 24 3HZ LYS 24 -2.685 15.231 -4.183 183 H TYR 25 H TYR 25 -0.460 11.208 1.374 184 HA TYR 25 HA TYR 25 2.039 9.873 2.193 185 1HB TYR 25 2HB TYR 25 -0.839 9.986 3.056 186 2HB TYR 25 1HB TYR 25 0.189 8.689 3.663 187 HD1 TYR 25 HD1 TYR 25 0.137 12.411 3.234 188 HD2 TYR 25 HD2 TYR 25 1.550 9.066 5.528 189 HE1 TYR 25 HE1 TYR 25 1.120 13.967 4.897 190 HE2 TYR 25 HE2 TYR 25 2.534 10.622 7.190 191 HH TYR 25 HH TYR 25 1.747 13.859 7.367 192 H CYS 26 H CYS 26 2.613 7.785 1.579 193 HA CYS 26 HA CYS 26 1.025 6.484 -0.538 194 1HB CYS 26 2HB CYS 26 3.731 6.589 0.383 195 2HB CYS 26 1HB CYS 26 3.217 4.902 0.421 196 H PHE 27 H PHE 27 -0.717 5.287 0.128 197 HA PHE 27 HA PHE 27 -0.581 3.869 2.749 198 1HB PHE 27 2HB PHE 27 -2.994 3.903 2.606 199 2HB PHE 27 1HB PHE 27 -2.413 5.505 2.150 200 HD1 PHE 27 HD1 PHE 27 -4.031 2.434 0.992 201 HD2 PHE 27 HD2 PHE 27 -2.367 6.201 -0.229 202 HE1 PHE 27 HE1 PHE 27 -5.152 2.216 -1.208 203 HE2 PHE 27 HE2 PHE 27 -3.489 5.983 -2.429 204 HZ PHE 27 HZ PHE 27 -4.881 3.991 -2.919 205 H LYS 28 H LYS 28 -0.139 1.727 2.703 206 HA LYS 28 HA LYS 28 -0.454 0.202 0.176 207 1HB LYS 28 2HB LYS 28 0.675 -0.628 2.867 208 2HB LYS 28 1HB LYS 28 0.962 -1.405 1.310 209 1HG LYS 28 2HG LYS 28 2.653 0.007 0.853 210 2HG LYS 28 1HG LYS 28 1.620 1.406 1.151 211 1HD LYS 28 2HD LYS 28 3.607 1.295 2.682 212 2HD LYS 28 1HD LYS 28 2.063 1.292 3.537 213 1HE LYS 28 2HE LYS 28 2.687 -0.640 4.542 214 2HE LYS 28 1HE LYS 28 2.677 -1.426 2.950 215 1HZ LYS 28 1HZ LYS 28 4.927 0.283 3.823 216 2HZ LYS 28 2HZ LYS 28 4.896 -0.866 2.573 217 3HZ LYS 28 3HZ LYS 28 4.885 -1.370 4.195 218 H GLU 29 H GLU 29 -2.449 -0.737 -0.107 219 HA GLU 29 HA GLU 29 -4.018 -1.528 2.307 220 1HB GLU 29 2HB GLU 29 -5.054 -0.007 0.691 221 2HB GLU 29 1HB GLU 29 -4.730 -1.145 -0.619 222 1HG GLU 29 2HG GLU 29 -6.149 -2.834 0.545 223 2HG GLU 29 1HG GLU 29 -6.538 -1.623 1.768 224 H SER 30 H SER 30 -4.091 -3.669 2.822 225 HA SER 30 HA SER 30 -3.338 -5.668 0.722 226 1HB SER 30 2HB SER 30 -2.154 -5.228 3.066 227 2HB SER 30 1HB SER 30 -3.460 -6.250 3.661 228 HG SER 30 HG SER 30 -1.457 -7.326 2.948 229 H TRP 31 H TRP 31 -5.070 -6.775 -0.085 230 HA TRP 31 HA TRP 31 -7.653 -6.778 1.324 231 1HB TRP 31 2HB TRP 31 -7.002 -6.589 -1.237 232 2HB TRP 31 1HB TRP 31 -7.027 -8.351 -1.154 233 HD1 TRP 31 HD1 TRP 31 -9.368 -9.409 -0.055 234 HE1 TRP 31 HE1 TRP 31 -11.796 -8.637 -0.451 235 HE3 TRP 31 HE3 TRP 31 -8.517 -4.682 -1.788 236 HZ2 TRP 31 HZ2 TRP 31 -13.192 -6.321 -1.381 237 HZ3 TRP 31 HZ3 TRP 31 -10.412 -3.215 -2.421 238 HH2 TRP 31 HH2 TRP 31 -12.746 -4.028 -2.220 239 H ARG 32 H ARG 32 -8.662 -8.647 2.171 240 HA ARG 32 HA ARG 32 -6.851 -11.002 2.568 241 1HB ARG 32 2HB ARG 32 -8.286 -9.326 4.321 242 2HB ARG 32 1HB ARG 32 -9.174 -10.849 4.303 243 1HG ARG 32 2HG ARG 32 -7.283 -12.092 5.009 244 2HG ARG 32 1HG ARG 32 -6.172 -10.778 4.618 245 1HD ARG 32 2HD ARG 32 -7.920 -9.600 6.434 246 2HD ARG 32 1HD ARG 32 -7.685 -11.235 7.082 247 HE ARG 32 HE ARG 32 -5.256 -9.810 6.167 248 1HH1 ARG 32 2HH1 ARG 32 -6.406 -8.510 8.639 249 2HH1 ARG 32 1HH1 ARG 32 -5.601 -9.384 9.899 250 1HH2 ARG 32 1HH2 ARG 32 -4.594 -11.973 7.824 251 2HH2 ARG 32 2HH2 ARG 32 -4.575 -11.344 9.438 252 H GLU 33 H GLU 33 -7.652 -11.775 0.392 253 HA GLU 33 HA GLU 33 -10.454 -12.434 0.014 254 1HB GLU 33 2HB GLU 33 -8.025 -12.357 -1.447 255 2HB GLU 33 1HB GLU 33 -8.613 -14.018 -1.550 256 1HG GLU 33 2HG GLU 33 -9.592 -12.769 -3.378 257 2HG GLU 33 1HG GLU 33 -10.866 -13.104 -2.204 258 H ALA 34 H ALA 34 -11.496 -14.372 0.487 259 HA ALA 34 HA ALA 34 -10.526 -16.110 2.511 260 1HB ALA 34 1HB ALA 34 -12.895 -15.652 1.521 261 2HB ALA 34 2HB ALA 34 -12.535 -17.278 2.098 262 3HB ALA 34 3HB ALA 34 -12.489 -16.925 0.371 263 H ARG 35 H ARG 35 -9.746 -15.989 -0.845 264 HA ARG 35 HA ARG 35 -8.542 -18.736 -0.680 265 1HB ARG 35 2HB ARG 35 -10.331 -17.469 -2.538 266 2HB ARG 35 1HB ARG 35 -8.821 -17.841 -3.370 267 1HG ARG 35 2HG ARG 35 -10.039 -19.919 -1.586 268 2HG ARG 35 1HG ARG 35 -10.720 -19.668 -3.193 269 1HD ARG 35 2HD ARG 35 -8.067 -19.728 -3.807 270 2HD ARG 35 1HD ARG 35 -8.108 -20.841 -2.425 271 HE ARG 35 HE ARG 35 -9.681 -22.230 -3.632 272 1HH1 ARG 35 1HH2 ARG 35 -10.859 -19.730 -5.076 273 2HH1 ARG 35 2HH2 ARG 35 -10.467 -20.122 -6.717 274 1HH2 ARG 35 2HH1 ARG 35 -8.209 -22.611 -5.861 275 2HH2 ARG 35 1HH1 ARG 35 -8.966 -21.753 -7.161 276 H GLY 36 H GLY 36 -7.209 -16.326 0.247 277 1HA GLY 36 2HA GLY 36 -4.658 -16.390 -0.345 278 2HA GLY 36 1HA GLY 36 -5.222 -15.809 -1.912 279 H THR 37 H THR 37 -3.467 -14.227 -0.492 280 HA THR 37 HA THR 37 -5.224 -12.036 0.567 281 HB THR 37 HB THR 37 -3.172 -11.435 1.892 282 HG1 THR 37 HG1 THR 37 -1.667 -12.431 0.507 283 1HG2 THR 37 1HG2 THR 37 -3.268 -13.959 3.019 284 2HG2 THR 37 2HG2 THR 37 -4.805 -13.853 2.161 285 3HG2 THR 37 3HG2 THR 37 -4.385 -12.640 3.371 286 H ARG 38 H ARG 38 -5.085 -10.101 -0.521 287 HA ARG 38 HA ARG 38 -3.044 -9.872 -2.695 288 1HB ARG 38 2HB ARG 38 -5.717 -9.692 -2.803 289 2HB ARG 38 1HB ARG 38 -5.367 -8.017 -2.378 290 1HG ARG 38 2HG ARG 38 -4.107 -7.653 -4.333 291 2HG ARG 38 1HG ARG 38 -3.876 -9.380 -4.613 292 1HD ARG 38 2HD ARG 38 -6.648 -9.098 -4.622 293 2HD ARG 38 1HD ARG 38 -6.072 -7.657 -5.484 294 HE ARG 38 HE ARG 38 -4.597 -9.338 -6.792 295 1HH1 ARG 38 1HH2 ARG 38 -7.886 -9.593 -5.962 296 2HH1 ARG 38 2HH2 ARG 38 -8.137 -11.097 -6.785 297 1HH2 ARG 38 2HH1 ARG 38 -4.792 -11.512 -7.601 298 2HH2 ARG 38 1HH1 ARG 38 -6.384 -12.184 -7.713 299 H ILE 39 H ILE 39 -1.915 -7.822 -2.929 300 HA ILE 39 HA ILE 39 -2.079 -5.924 -0.641 301 HB ILE 39 HB ILE 39 -0.443 -7.848 -0.224 302 1HG1 ILE 39 2HG1 ILE 39 0.599 -5.000 -0.344 303 2HG1 ILE 39 1HG1 ILE 39 -0.265 -5.742 1.004 304 1HG2 ILE 39 1HG2 ILE 39 1.461 -6.434 -2.039 305 2HG2 ILE 39 2HG2 ILE 39 0.296 -7.535 -2.776 306 3HG2 ILE 39 3HG2 ILE 39 1.421 -8.129 -1.554 307 1HD1 ILE 39 1HD1 ILE 39 1.585 -6.831 1.744 308 2HD1 ILE 39 2HD1 ILE 39 2.473 -5.671 0.756 309 3HD1 ILE 39 3HD1 ILE 39 2.090 -7.267 0.112 310 H GLU 40 H GLU 40 -2.049 -3.886 -1.505 311 HA GLU 40 HA GLU 40 -0.386 -3.382 -3.936 312 1HB GLU 40 2HB GLU 40 -2.862 -3.907 -4.386 313 2HB GLU 40 1HB GLU 40 -3.216 -2.372 -3.590 314 1HG GLU 40 2HG GLU 40 -1.084 -2.024 -5.512 315 2HG GLU 40 1HG GLU 40 -2.486 -2.759 -6.289 316 H ARG 41 H ARG 41 0.066 -1.051 -4.226 317 HA ARG 41 HA ARG 41 -0.030 0.428 -1.622 318 1HB ARG 41 2HB ARG 41 1.971 -0.105 -3.681 319 2HB ARG 41 1HB ARG 41 1.838 1.618 -3.323 320 1HG ARG 41 2HG ARG 41 2.932 1.332 -1.379 321 2HG ARG 41 1HG ARG 41 1.743 0.137 -0.860 322 1HD ARG 41 2HD ARG 41 3.229 -1.271 -2.730 323 2HD ARG 41 1HD ARG 41 4.451 -0.287 -1.901 324 HE ARG 41 HE ARG 41 2.484 -1.588 -0.137 325 1HH1 ARG 41 2HH1 ARG 41 5.541 -0.662 0.033 326 2HH1 ARG 41 1HH1 ARG 41 6.250 -2.193 0.420 327 1HH2 ARG 41 1HH2 ARG 41 3.404 -4.010 -0.368 328 2HH2 ARG 41 2HH2 ARG 41 5.041 -4.089 0.193 329 H GLY 42 H GLY 42 0.390 2.974 -2.370 330 1HA GLY 42 2HA GLY 42 -0.909 3.952 -4.691 331 2HA GLY 42 1HA GLY 42 -2.121 3.847 -3.414 332 H CYS 43 H CYS 43 -1.961 6.317 -3.956 333 HA CYS 43 HA CYS 43 -0.144 7.519 -1.914 334 1HB CYS 43 2HB CYS 43 -0.497 8.471 -4.777 335 2HB CYS 43 1HB CYS 43 0.538 9.215 -3.558 336 H ALA 44 H ALA 44 -1.692 8.355 -0.535 337 HA ALA 44 HA ALA 44 -3.529 10.412 -1.595 338 1HB ALA 44 1HB ALA 44 -5.347 9.026 -0.192 339 2HB ALA 44 2HB ALA 44 -4.296 7.685 -0.646 340 3HB ALA 44 3HB ALA 44 -5.039 8.685 -1.895 341 H ALA 45 H ALA 45 -5.098 10.810 0.622 342 HA ALA 45 HA ALA 45 -3.140 11.150 2.873 343 1HB ALA 45 1HB ALA 45 -3.589 13.390 2.890 344 2HB ALA 45 2HB ALA 45 -5.300 13.143 2.536 345 3HB ALA 45 3HB ALA 45 -4.115 13.111 1.230 346 H THR 46 H THR 46 -6.115 9.873 1.876 347 HA THR 46 HA THR 46 -7.257 9.990 4.641 348 HB THR 46 HB THR 46 -9.296 9.121 3.259 349 HG1 THR 46 HG1 THR 46 -9.119 9.708 1.062 350 1HG2 THR 46 1HG2 THR 46 -8.657 11.826 2.281 351 2HG2 THR 46 2HG2 THR 46 -8.452 11.614 4.020 352 3HG2 THR 46 3HG2 THR 46 -10.010 11.276 3.269 353 H CYS 47 H CYS 47 -6.950 8.163 5.840 354 HA CYS 47 HA CYS 47 -6.553 5.562 4.408 355 1HB CYS 47 2HB CYS 47 -5.693 6.418 7.188 356 2HB CYS 47 1HB CYS 47 -5.169 4.983 6.314 357 HA PRO 48 HA PRO 48 -10.533 4.979 6.525 358 1HB PRO 48 2HB PRO 48 -11.386 2.987 4.855 359 2HB PRO 48 1HB PRO 48 -11.545 4.710 4.461 360 1HG PRO 48 2HG PRO 48 -9.542 2.730 3.509 361 2HG PRO 48 1HG PRO 48 -10.326 4.054 2.635 362 1HD PRO 48 2HD PRO 48 -7.774 4.175 3.612 363 2HD PRO 48 1HD PRO 48 -8.805 5.600 3.352 364 H LYS 49 H LYS 49 -11.559 2.560 7.008 365 HA LYS 49 HA LYS 49 -9.417 1.164 8.501 366 1HB LYS 49 2HB LYS 49 -12.309 1.587 8.632 367 2HB LYS 49 1HB LYS 49 -11.863 -0.091 8.946 368 1HG LYS 49 2HG LYS 49 -11.336 0.545 11.044 369 2HG LYS 49 1HG LYS 49 -9.965 1.411 10.350 370 1HD LYS 49 2HD LYS 49 -10.962 3.223 11.321 371 2HD LYS 49 1HD LYS 49 -11.953 3.195 9.862 372 1HE LYS 49 2HE LYS 49 -13.715 3.059 11.313 373 2HE LYS 49 1HE LYS 49 -13.240 1.358 11.486 374 1HZ LYS 49 1HZ LYS 49 -12.975 1.971 13.636 375 2HZ LYS 49 2HZ LYS 49 -12.737 3.612 13.264 376 3HZ LYS 49 3HZ LYS 49 -11.464 2.503 13.078 377 H GLY 50 H GLY 50 -12.261 -0.270 6.916 378 1HA GLY 50 2HA GLY 50 -10.673 -1.718 4.950 379 2HA GLY 50 1HA GLY 50 -11.189 -2.741 6.292 380 H SER 51 H SER 51 -12.578 -3.969 4.888 381 HA SER 51 HA SER 51 -15.081 -2.503 4.119 382 1HB SER 51 2HB SER 51 -13.695 -3.017 2.162 383 2HB SER 51 1HB SER 51 -13.577 -4.701 2.663 384 HG SER 51 HG SER 51 -15.937 -3.284 1.958 385 H VAL 52 H VAL 52 -14.896 -3.737 6.611 386 HA VAL 52 HA VAL 52 -15.906 -5.407 7.953 387 HB VAL 52 HB VAL 52 -17.659 -5.516 5.478 388 1HG1 VAL 52 1HG1 VAL 52 -18.965 -6.925 6.647 389 2HG1 VAL 52 2HG1 VAL 52 -19.017 -5.799 8.003 390 3HG1 VAL 52 3HG1 VAL 52 -17.721 -6.991 7.896 391 1HG2 VAL 52 1HG2 VAL 52 -17.417 -3.597 7.776 392 2HG2 VAL 52 2HG2 VAL 52 -19.003 -3.888 7.063 393 3HG2 VAL 52 3HG2 VAL 52 -17.691 -3.259 6.067 394 H TYR 53 H TYR 53 -13.881 -6.175 5.739 395 HA TYR 53 HA TYR 53 -14.461 -9.113 5.819 396 1HB TYR 53 2HB TYR 53 -14.894 -7.741 3.617 397 2HB TYR 53 1HB TYR 53 -13.137 -7.773 3.473 398 HD1 TYR 53 HD1 TYR 53 -16.216 -9.715 3.263 399 HD2 TYR 53 HD2 TYR 53 -11.928 -9.955 3.344 400 HE1 TYR 53 HE1 TYR 53 -16.329 -12.030 2.383 401 HE2 TYR 53 HE2 TYR 53 -12.042 -12.270 2.463 402 HH TYR 53 HH TYR 53 -14.168 -14.192 2.618 403 H GLY 54 H GLY 54 -11.922 -6.699 5.035 404 1HA GLY 54 2HA GLY 54 -10.027 -7.231 6.919 405 2HA GLY 54 1HA GLY 54 -9.816 -8.591 5.817 406 H LEU 55 H LEU 55 -9.246 -5.214 6.294 407 HA LEU 55 HA LEU 55 -7.712 -5.157 3.726 408 1HB LEU 55 2HB LEU 55 -9.990 -3.485 4.662 409 2HB LEU 55 1HB LEU 55 -8.674 -2.631 3.857 410 HG LEU 55 HG LEU 55 -9.931 -5.115 2.681 411 1HD1 LEU 55 1HD1 LEU 55 -11.340 -2.803 3.118 412 2HD1 LEU 55 2HD1 LEU 55 -11.654 -3.924 1.794 413 3HD1 LEU 55 3HD1 LEU 55 -10.652 -2.499 1.523 414 1HD2 LEU 55 1HD2 LEU 55 -7.848 -4.637 1.652 415 2HD2 LEU 55 2HD2 LEU 55 -8.128 -2.897 1.704 416 3HD2 LEU 55 3HD2 LEU 55 -9.037 -3.903 0.577 417 H TYR 56 H TYR 56 -5.621 -4.845 4.418 418 HA TYR 56 HA TYR 56 -5.110 -3.247 6.873 419 1HB TYR 56 2HB TYR 56 -3.906 -5.445 5.404 420 2HB TYR 56 1HB TYR 56 -2.714 -4.189 5.738 421 HD1 TYR 56 HD1 TYR 56 -1.437 -5.033 7.534 422 HD2 TYR 56 HD2 TYR 56 -5.725 -5.178 7.718 423 HE1 TYR 56 HE1 TYR 56 -1.309 -5.783 9.895 424 HE2 TYR 56 HE2 TYR 56 -5.598 -5.929 10.078 425 HH TYR 56 HH TYR 56 -3.514 -5.558 12.014 426 H VAL 57 H VAL 57 -5.054 -1.058 6.426 427 HA VAL 57 HA VAL 57 -3.691 -0.143 3.925 428 HB VAL 57 HB VAL 57 -4.902 2.009 4.551 429 1HG1 VAL 57 1HG1 VAL 57 -7.248 0.582 4.339 430 2HG1 VAL 57 2HG1 VAL 57 -6.060 -0.564 3.716 431 3HG1 VAL 57 3HG1 VAL 57 -6.217 1.031 2.980 432 1HG2 VAL 57 1HG2 VAL 57 -6.222 2.136 6.427 433 2HG2 VAL 57 2HG2 VAL 57 -5.084 0.926 7.022 434 3HG2 VAL 57 3HG2 VAL 57 -6.643 0.425 6.370 435 H LEU 58 H LEU 58 -1.685 0.793 4.133 436 HA LEU 58 HA LEU 58 -0.899 1.830 6.841 437 1HB LEU 58 2HB LEU 58 0.084 -0.368 5.362 438 2HB LEU 58 1HB LEU 58 1.317 0.888 5.237 439 HG LEU 58 HG LEU 58 1.723 -0.481 7.228 440 1HD1 LEU 58 1HD1 LEU 58 1.199 1.501 8.958 441 2HD1 LEU 58 2HD1 LEU 58 0.900 2.378 7.458 442 3HD1 LEU 58 3HD1 LEU 58 2.473 1.635 7.746 443 1HD2 LEU 58 1HD2 LEU 58 -1.186 0.045 7.617 444 2HD2 LEU 58 2HD2 LEU 58 -0.185 0.003 9.069 445 3HD2 LEU 58 3HD2 LEU 58 -0.244 -1.396 7.997 446 H CYS 59 H CYS 59 -1.093 4.051 6.392 447 HA CYS 59 HA CYS 59 0.019 5.168 3.889 448 1HB CYS 59 2HB CYS 59 -1.155 6.570 6.306 449 2HB CYS 59 1HB CYS 59 -1.045 7.190 4.660 450 H CYS 60 H CYS 60 2.067 6.007 3.763 451 HA CYS 60 HA CYS 60 3.447 6.784 6.304 452 1HB CYS 60 2HB CYS 60 4.013 4.617 4.406 453 2HB CYS 60 1HB CYS 60 5.407 5.653 4.704 454 H THR 61 H THR 61 5.403 8.143 5.838 455 HA THR 61 HA THR 61 5.389 9.494 3.204 456 HB THR 61 HB THR 61 3.866 10.699 4.759 457 HG1 THR 61 HG1 THR 61 6.335 11.989 4.228 458 1HG2 THR 61 1HG2 THR 61 5.726 11.872 6.536 459 2HG2 THR 61 2HG2 THR 61 6.020 10.134 6.590 460 3HG2 THR 61 3HG2 THR 61 4.412 10.767 6.939 461 H THR 62 H THR 62 7.294 7.653 4.215 462 HA THR 62 HA THR 62 9.691 9.414 4.401 463 HB THR 62 HB THR 62 9.171 8.939 6.698 464 HG1 THR 62 HG1 THR 62 11.349 8.284 5.718 465 1HG2 THR 62 1HG2 THR 62 7.541 7.112 6.167 466 2HG2 THR 62 2HG2 THR 62 8.618 6.717 7.507 467 3HG2 THR 62 3HG2 THR 62 8.906 6.025 5.910 468 H ASP 63 H ASP 63 11.670 8.229 3.815 469 HA ASP 63 HA ASP 63 11.818 6.790 1.543 470 1HB ASP 63 2HB ASP 63 13.901 5.893 2.373 471 2HB ASP 63 1HB ASP 63 13.661 7.464 3.140 472 H ASP 64 H ASP 64 11.237 4.800 0.742 473 HA ASP 64 HA ASP 64 10.443 2.565 0.712 474 1HB ASP 64 2HB ASP 64 12.000 2.916 3.083 475 2HB ASP 64 1HB ASP 64 10.604 1.919 3.494 476 H CYS 65 H CYS 65 9.397 3.500 4.044 477 HA CYS 65 HA CYS 65 6.786 2.461 3.821 478 1HB CYS 65 2HB CYS 65 8.309 3.668 5.723 479 2HB CYS 65 1HB CYS 65 7.178 4.972 5.364 480 H ASN 66 HN ASN 66 8.110 5.546 2.756 481 HA ASN 66 HA ASN 66 5.691 6.970 2.265 482 1HB ASN 66 2HB ASN 66 7.196 8.207 0.647 483 2HB ASN 66 1HB ASN 66 7.875 8.022 2.263 484 1HD2 ASN 66 1HD2 ASN 66 9.843 8.423 0.524 485 2HD2 ASN 66 2HD2 ASN 66 10.611 6.988 0.042 Start of MODEL 7 1 1H MET 1 1H MET 1 11.157 12.500 -4.154 2 2H MET 1 2H MET 1 12.494 11.893 -3.298 3 3H MET 1 3H MET 1 11.722 13.314 -2.777 4 HA MET 1 HA MET 1 11.228 10.988 -1.645 5 1HB MET 1 2HB MET 1 9.529 13.391 -2.300 6 2HB MET 1 1HB MET 1 8.901 12.114 -1.259 7 1HG MET 1 2HG MET 1 11.208 12.402 -0.015 8 2HG MET 1 1HG MET 1 11.192 13.991 -0.780 9 1HE MET 1 1HE MET 1 8.384 11.603 0.736 10 2HE MET 1 2HE MET 1 8.354 12.275 2.364 11 3HE MET 1 3HE MET 1 9.847 11.589 1.730 12 H LYS 2 H LYS 2 10.821 9.042 -2.698 13 HA LYS 2 HA LYS 2 8.438 8.968 -4.523 14 1HB LYS 2 2HB LYS 2 11.082 7.485 -4.687 15 2HB LYS 2 1HB LYS 2 9.720 7.232 -5.777 16 1HG LYS 2 2HG LYS 2 10.009 9.261 -6.839 17 2HG LYS 2 1HG LYS 2 10.697 10.030 -5.409 18 1HD LYS 2 2HD LYS 2 12.381 7.845 -6.297 19 2HD LYS 2 1HD LYS 2 12.112 8.994 -7.608 20 1HE LYS 2 2HE LYS 2 13.039 10.796 -6.382 21 2HE LYS 2 1HE LYS 2 12.873 9.939 -4.836 22 1HZ LYS 2 1HZ LYS 2 15.095 9.615 -5.401 23 2HZ LYS 2 2HZ LYS 2 14.755 9.398 -7.050 24 3HZ LYS 2 3HZ LYS 2 14.353 8.185 -5.930 25 H CYS 3 H CYS 3 7.577 6.638 -4.675 26 HA CYS 3 HA CYS 3 7.865 5.226 -2.040 27 1HB CYS 3 2HB CYS 3 5.784 6.642 -2.381 28 2HB CYS 3 1HB CYS 3 5.345 5.557 -3.700 29 H LYS 4 H LYS 4 8.768 3.254 -2.480 30 HA LYS 4 HA LYS 4 8.566 2.030 -5.141 31 1HB LYS 4 2HB LYS 4 10.586 2.063 -3.617 32 2HB LYS 4 1HB LYS 4 9.724 0.946 -2.557 33 1HG LYS 4 2HG LYS 4 10.177 -0.811 -3.895 34 2HG LYS 4 1HG LYS 4 9.642 0.064 -5.331 35 1HD LYS 4 2HD LYS 4 12.182 1.070 -4.272 36 2HD LYS 4 1HD LYS 4 12.264 -0.625 -4.756 37 1HE LYS 4 2HE LYS 4 10.778 0.926 -6.717 38 2HE LYS 4 1HE LYS 4 12.409 1.584 -6.479 39 1HZ LYS 4 1HZ LYS 4 12.153 -1.319 -6.534 40 2HZ LYS 4 2HZ LYS 4 13.391 -0.327 -7.144 41 3HZ LYS 4 3HZ LYS 4 11.946 -0.520 -8.015 42 H ILE 5 H ILE 5 7.344 0.202 -5.660 43 HA ILE 5 HA ILE 5 5.626 -0.959 -3.492 44 HB ILE 5 HB ILE 5 4.871 -0.165 -6.324 45 1HG1 ILE 5 2HG1 ILE 5 3.210 1.137 -4.529 46 2HG1 ILE 5 1HG1 ILE 5 4.776 1.183 -3.717 47 1HG2 ILE 5 1HG2 ILE 5 3.325 -1.807 -6.041 48 2HG2 ILE 5 2HG2 ILE 5 2.545 -0.661 -4.951 49 3HG2 ILE 5 3HG2 ILE 5 3.613 -1.905 -4.303 50 1HD1 ILE 5 1HD1 ILE 5 4.806 3.116 -5.064 51 2HD1 ILE 5 2HD1 ILE 5 4.025 2.297 -6.416 52 3HD1 ILE 5 3HD1 ILE 5 5.706 1.939 -6.020 53 H CYS 6 H CYS 6 5.839 -3.159 -3.421 54 HA CYS 6 HA CYS 6 6.946 -4.544 -5.840 55 1HB CYS 6 2HB CYS 6 7.422 -4.630 -2.926 56 2HB CYS 6 1HB CYS 6 7.345 -6.212 -3.701 57 H ASN 7 H ASN 7 5.584 -6.213 -3.077 58 HA ASN 7 HA ASN 7 2.937 -6.628 -4.229 59 1HB ASN 7 2HB ASN 7 5.113 -8.085 -5.276 60 2HB ASN 7 1HB ASN 7 4.251 -9.212 -4.229 61 1HD2 ASN 7 1HD2 ASN 7 2.866 -10.409 -5.547 62 2HD2 ASN 7 2HD2 ASN 7 1.861 -9.751 -6.747 63 H PHE 8 H PHE 8 2.689 -9.331 -3.131 64 HA PHE 8 HA PHE 8 2.385 -8.607 -0.292 65 1HB PHE 8 2HB PHE 8 0.578 -9.748 -1.383 66 2HB PHE 8 1HB PHE 8 1.663 -10.984 -2.022 67 HD1 PHE 8 HD1 PHE 8 1.816 -13.014 -0.886 68 HD2 PHE 8 HD2 PHE 8 0.648 -9.487 1.269 69 HE1 PHE 8 HE1 PHE 8 1.469 -14.377 1.156 70 HE2 PHE 8 HE2 PHE 8 0.300 -10.851 3.312 71 HZ PHE 8 HZ PHE 8 0.711 -13.296 3.255 72 H ASP 9 H ASP 9 4.229 -8.800 0.940 73 HA ASP 9 HA ASP 9 6.195 -9.744 1.857 74 1HB ASP 9 2HB ASP 9 4.244 -11.950 1.286 75 2HB ASP 9 1HB ASP 9 5.847 -12.376 1.889 76 H THR 10 H THR 10 6.374 -9.112 -0.978 77 HA THR 10 HA THR 10 8.690 -10.746 -1.670 78 HB THR 10 HB THR 10 6.798 -12.237 -2.243 79 HG1 THR 10 HG1 THR 10 8.478 -12.473 -3.609 80 1HG2 THR 10 1HG2 THR 10 4.930 -11.509 -3.287 81 2HG2 THR 10 2HG2 THR 10 5.854 -10.602 -4.484 82 3HG2 THR 10 3HG2 THR 10 5.510 -9.887 -2.909 83 H CYS 11 H CYS 11 9.277 -10.137 -4.124 84 HA CYS 11 HA CYS 11 8.470 -7.318 -4.692 85 1HB CYS 11 2HB CYS 11 11.029 -8.364 -3.713 86 2HB CYS 11 1HB CYS 11 11.202 -7.398 -5.178 87 H ARG 12 H ARG 12 7.456 -9.307 -6.223 88 HA ARG 12 HA ARG 12 9.217 -10.016 -8.452 89 1HB ARG 12 2HB ARG 12 6.428 -10.480 -7.528 90 2HB ARG 12 1HB ARG 12 6.703 -10.614 -9.266 91 1HG ARG 12 2HG ARG 12 8.843 -12.002 -8.347 92 2HG ARG 12 1HG ARG 12 7.686 -12.335 -7.058 93 1HD ARG 12 2HD ARG 12 6.024 -12.853 -9.021 94 2HD ARG 12 1HD ARG 12 7.505 -13.044 -9.979 95 HE ARG 12 HE ARG 12 8.069 -14.471 -7.693 96 1HH1 ARG 12 1HH2 ARG 12 4.873 -14.394 -8.498 97 2HH1 ARG 12 2HH2 ARG 12 4.728 -16.068 -8.920 98 1HH2 ARG 12 2HH1 ARG 12 8.145 -16.656 -8.853 99 2HH2 ARG 12 1HH1 ARG 12 6.580 -17.349 -9.120 100 H ALA 13 H ALA 13 7.374 -7.275 -7.598 101 HA ALA 13 HA ALA 13 6.973 -6.434 -10.431 102 1HB ALA 13 1HB ALA 13 6.045 -4.477 -8.637 103 2HB ALA 13 2HB ALA 13 5.706 -6.017 -7.847 104 3HB ALA 13 3HB ALA 13 5.067 -5.693 -9.459 105 H GLY 14 H GLY 14 7.777 -4.486 -7.562 106 1HA GLY 14 2HA GLY 14 9.717 -3.177 -7.143 107 2HA GLY 14 1HA GLY 14 10.408 -3.770 -8.655 108 H GLU 15 H GLU 15 7.246 -2.214 -8.190 109 HA GLU 15 HA GLU 15 8.091 -0.144 -10.178 110 1HB GLU 15 2HB GLU 15 5.449 -1.311 -9.271 111 2HB GLU 15 1HB GLU 15 5.537 0.120 -10.299 112 1HG GLU 15 2HG GLU 15 7.227 -1.497 -11.649 113 2HG GLU 15 1HG GLU 15 6.162 -2.714 -10.943 114 H LEU 16 H LEU 16 8.527 1.860 -9.343 115 HA LEU 16 HA LEU 16 7.332 2.580 -6.690 116 1HB LEU 16 2HB LEU 16 9.707 2.510 -6.582 117 2HB LEU 16 1HB LEU 16 9.879 3.298 -8.150 118 HG LEU 16 HG LEU 16 8.395 4.805 -6.058 119 1HD1 LEU 16 1HD1 LEU 16 11.330 5.143 -5.950 120 2HD1 LEU 16 2HD1 LEU 16 10.732 3.634 -5.260 121 3HD1 LEU 16 3HD1 LEU 16 10.143 5.179 -4.646 122 1HD2 LEU 16 1HD2 LEU 16 8.766 6.423 -7.582 123 2HD2 LEU 16 2HD2 LEU 16 9.638 5.262 -8.584 124 3HD2 LEU 16 3HD2 LEU 16 10.508 6.222 -7.387 125 H LYS 17 H LYS 17 6.568 4.791 -6.444 126 HA LYS 17 HA LYS 17 6.141 6.314 -8.978 127 1HB LYS 17 2HB LYS 17 3.766 6.503 -8.427 128 2HB LYS 17 1HB LYS 17 4.211 4.796 -8.458 129 1HG LYS 17 2HG LYS 17 4.324 4.694 -6.062 130 2HG LYS 17 1HG LYS 17 4.191 6.448 -5.923 131 1HD LYS 17 2HD LYS 17 2.019 5.548 -5.429 132 2HD LYS 17 1HD LYS 17 1.923 6.262 -7.039 133 1HE LYS 17 2HE LYS 17 2.759 3.657 -7.555 134 2HE LYS 17 1HE LYS 17 1.578 3.467 -6.243 135 1HZ LYS 17 1HZ LYS 17 1.218 4.716 -8.889 136 2HZ LYS 17 2HZ LYS 17 0.252 5.210 -7.582 137 3HZ LYS 17 3HZ LYS 17 0.226 3.591 -8.096 138 H VAL 18 H VAL 18 4.366 8.188 -7.608 139 HA VAL 18 HA VAL 18 6.243 9.376 -5.599 140 HB VAL 18 HB VAL 18 5.492 11.567 -6.716 141 1HG1 VAL 18 1HG1 VAL 18 7.613 11.297 -7.446 142 2HG1 VAL 18 2HG1 VAL 18 6.923 10.579 -8.902 143 3HG1 VAL 18 3HG1 VAL 18 7.416 9.548 -7.558 144 1HG2 VAL 18 1HG2 VAL 18 3.554 10.576 -7.905 145 2HG2 VAL 18 2HG2 VAL 18 4.660 9.589 -8.859 146 3HG2 VAL 18 3HG2 VAL 18 4.677 11.343 -9.027 147 H CYS 19 H CYS 19 5.209 9.869 -3.707 148 HA CYS 19 HA CYS 19 2.244 10.327 -3.783 149 1HB CYS 19 2HB CYS 19 3.925 8.733 -1.819 150 2HB CYS 19 1HB CYS 19 2.203 9.059 -1.623 151 H ALA 20 H ALA 20 4.765 10.406 -1.248 152 HA ALA 20 HA ALA 20 3.713 12.795 -0.022 153 1HB ALA 20 1HB ALA 20 5.037 11.904 1.574 154 2HB ALA 20 2HB ALA 20 6.454 12.375 0.636 155 3HB ALA 20 3HB ALA 20 5.723 10.788 0.394 156 H SER 21 H SER 21 3.711 13.962 -2.284 157 HA SER 21 HA SER 21 6.371 15.092 -2.991 158 1HB SER 21 2HB SER 21 5.041 14.318 -4.828 159 2HB SER 21 1HB SER 21 3.597 15.110 -4.204 160 HG SER 21 HG SER 21 5.771 16.149 -5.589 161 H GLY 22 H GLY 22 4.965 15.824 -0.456 162 1HA GLY 22 2HA GLY 22 5.542 18.417 -0.020 163 2HA GLY 22 1HA GLY 22 4.043 18.588 -0.936 164 H GLU 23 H GLU 23 2.673 16.320 0.063 165 HA GLU 23 HA GLU 23 2.645 16.324 2.974 166 1HB GLU 23 2HB GLU 23 1.707 18.589 2.201 167 2HB GLU 23 1HB GLU 23 0.329 17.682 1.576 168 1HG GLU 23 2HG GLU 23 0.330 16.620 3.996 169 2HG GLU 23 1HG GLU 23 1.190 18.101 4.418 170 H LYS 24 H LYS 24 2.728 14.222 1.124 171 HA LYS 24 HA LYS 24 -0.002 13.015 1.447 172 1HB LYS 24 2HB LYS 24 1.793 13.363 -0.895 173 2HB LYS 24 1HB LYS 24 0.997 11.794 -0.767 174 1HG LYS 24 2HG LYS 24 -0.473 14.435 -0.563 175 2HG LYS 24 1HG LYS 24 -0.315 13.523 -2.064 176 1HD LYS 24 2HD LYS 24 -1.269 11.528 -0.719 177 2HD LYS 24 1HD LYS 24 -1.770 12.741 0.460 178 1HE LYS 24 2HE LYS 24 -2.936 13.973 -1.424 179 2HE LYS 24 1HE LYS 24 -2.597 12.570 -2.457 180 1HZ LYS 24 1HZ LYS 24 -4.735 12.766 -0.832 181 2HZ LYS 24 2HZ LYS 24 -3.644 11.919 0.158 182 3HZ LYS 24 3HZ LYS 24 -4.069 11.300 -1.365 183 H TYR 25 H TYR 25 -0.004 10.840 2.104 184 HA TYR 25 HA TYR 25 2.669 9.684 2.831 185 1HB TYR 25 2HB TYR 25 -0.004 9.904 4.111 186 2HB TYR 25 1HB TYR 25 0.838 8.375 4.357 187 HD1 TYR 25 HD1 TYR 25 2.396 11.722 3.891 188 HD2 TYR 25 HD2 TYR 25 1.470 8.560 6.646 189 HE1 TYR 25 HE1 TYR 25 3.834 12.794 5.604 190 HE2 TYR 25 HE2 TYR 25 2.908 9.630 8.358 191 HH TYR 25 HH TYR 25 3.724 12.502 8.537 192 H CYS 26 H CYS 26 3.118 7.573 2.104 193 HA CYS 26 HA CYS 26 1.402 6.471 0.010 194 1HB CYS 26 2HB CYS 26 4.083 6.364 0.725 195 2HB CYS 26 1HB CYS 26 3.502 4.748 1.133 196 H PHE 27 H PHE 27 -0.322 5.152 0.411 197 HA PHE 27 HA PHE 27 -0.540 3.880 3.104 198 1HB PHE 27 2HB PHE 27 -2.898 3.998 2.720 199 2HB PHE 27 1HB PHE 27 -2.244 5.523 2.124 200 HD1 PHE 27 HD1 PHE 27 -3.910 2.408 1.237 201 HD2 PHE 27 HD2 PHE 27 -1.887 5.857 -0.336 202 HE1 PHE 27 HE1 PHE 27 -4.836 1.927 -1.012 203 HE2 PHE 27 HE2 PHE 27 -2.814 5.374 -2.585 204 HZ PHE 27 HZ PHE 27 -4.288 3.409 -2.923 205 H LYS 28 H LYS 28 -0.140 1.710 3.198 206 HA LYS 28 HA LYS 28 -0.140 0.103 0.704 207 1HB LYS 28 2HB LYS 28 1.689 0.095 2.474 208 2HB LYS 28 1HB LYS 28 0.536 -0.692 3.552 209 1HG LYS 28 2HG LYS 28 0.395 -2.130 1.137 210 2HG LYS 28 1HG LYS 28 2.114 -1.852 1.416 211 1HD LYS 28 2HD LYS 28 0.240 -2.910 3.547 212 2HD LYS 28 1HD LYS 28 1.196 -3.954 2.493 213 1HE LYS 28 2HE LYS 28 3.265 -2.726 3.280 214 2HE LYS 28 1HE LYS 28 2.241 -1.913 4.481 215 1HZ LYS 28 1HZ LYS 28 2.398 -4.859 4.130 216 2HZ LYS 28 2HZ LYS 28 1.547 -4.024 5.340 217 3HZ LYS 28 3HZ LYS 28 3.245 -3.998 5.320 218 H GLU 29 H GLU 29 -1.781 -1.358 0.248 219 HA GLU 29 HA GLU 29 -3.815 -1.854 2.400 220 1HB GLU 29 2HB GLU 29 -4.316 -0.270 0.402 221 2HB GLU 29 1HB GLU 29 -4.386 -1.746 -0.560 222 1HG GLU 29 2HG GLU 29 -5.920 -2.421 1.618 223 2HG GLU 29 1HG GLU 29 -6.298 -0.709 1.425 224 H SER 30 H SER 30 -4.574 -3.979 2.570 225 HA SER 30 HA SER 30 -3.497 -5.987 0.623 226 1HB SER 30 2HB SER 30 -2.563 -5.537 3.186 227 2HB SER 30 1HB SER 30 -3.719 -6.842 3.430 228 HG SER 30 HG SER 30 -2.636 -7.943 1.695 229 H TRP 31 H TRP 31 -5.256 -7.003 -0.256 230 HA TRP 31 HA TRP 31 -7.840 -7.019 1.178 231 1HB TRP 31 2HB TRP 31 -6.989 -6.805 -1.456 232 2HB TRP 31 1HB TRP 31 -7.612 -8.453 -1.371 233 HD1 TRP 31 HD1 TRP 31 -10.103 -8.511 0.109 234 HE1 TRP 31 HE1 TRP 31 -12.146 -7.009 -0.351 235 HE3 TRP 31 HE3 TRP 31 -7.842 -4.694 -2.421 236 HZ2 TRP 31 HZ2 TRP 31 -12.743 -4.518 -1.623 237 HZ3 TRP 31 HZ3 TRP 31 -9.171 -2.771 -3.244 238 HH2 TRP 31 HH2 TRP 31 -11.616 -2.678 -2.850 239 H ARG 32 H ARG 32 -8.507 -8.763 2.365 240 HA ARG 32 HA ARG 32 -6.915 -11.264 2.276 241 1HB ARG 32 2HB ARG 32 -7.736 -9.880 4.340 242 2HB ARG 32 1HB ARG 32 -9.282 -10.676 4.047 243 1HG ARG 32 2HG ARG 32 -7.418 -12.743 3.870 244 2HG ARG 32 1HG ARG 32 -6.841 -11.761 5.218 245 1HD ARG 32 2HD ARG 32 -9.158 -11.829 6.191 246 2HD ARG 32 1HD ARG 32 -9.612 -12.966 4.906 247 HE ARG 32 HE ARG 32 -7.169 -13.746 6.295 248 1HH1 ARG 32 2HH1 ARG 32 -9.047 -15.745 5.202 249 2HH1 ARG 32 1HH1 ARG 32 -9.846 -16.341 6.618 250 1HH2 ARG 32 1HH2 ARG 32 -8.869 -13.675 8.611 251 2HH2 ARG 32 2HH2 ARG 32 -9.746 -15.168 8.551 252 H GLU 33 H GLU 33 -7.981 -11.486 -0.042 253 HA GLU 33 HA GLU 33 -10.773 -12.238 -0.205 254 1HB GLU 33 2HB GLU 33 -8.540 -11.753 -1.894 255 2HB GLU 33 1HB GLU 33 -9.119 -13.374 -2.274 256 1HG GLU 33 2HG GLU 33 -11.187 -12.623 -2.988 257 2HG GLU 33 1HG GLU 33 -11.144 -11.197 -1.951 258 H ALA 34 H ALA 34 -11.679 -14.313 -0.121 259 HA ALA 34 HA ALA 34 -10.444 -16.348 1.434 260 1HB ALA 34 1HB ALA 34 -12.584 -17.060 1.322 261 2HB ALA 34 2HB ALA 34 -12.409 -17.394 -0.401 262 3HB ALA 34 3HB ALA 34 -12.908 -15.792 0.140 263 H ARG 35 H ARG 35 -10.036 -15.531 -1.897 264 HA ARG 35 HA ARG 35 -9.077 -18.219 -2.676 265 1HB ARG 35 2HB ARG 35 -9.144 -15.551 -4.127 266 2HB ARG 35 1HB ARG 35 -8.848 -17.123 -4.872 267 1HG ARG 35 2HG ARG 35 -11.210 -17.490 -3.434 268 2HG ARG 35 1HG ARG 35 -11.380 -15.881 -4.137 269 1HD ARG 35 2HD ARG 35 -10.536 -18.315 -5.744 270 2HD ARG 35 1HD ARG 35 -12.207 -17.727 -5.651 271 HE ARG 35 HE ARG 35 -10.199 -15.689 -6.349 272 1HH1 ARG 35 2HH1 ARG 35 -10.791 -18.185 -8.258 273 2HH1 ARG 35 1HH1 ARG 35 -11.794 -17.385 -9.422 274 1HH2 ARG 35 1HH2 ARG 35 -12.251 -14.555 -7.470 275 2HH2 ARG 35 2HH2 ARG 35 -12.620 -15.328 -8.975 276 H GLY 36 H GLY 36 -7.768 -15.799 -0.881 277 1HA GLY 36 2HA GLY 36 -5.225 -16.548 -0.554 278 2HA GLY 36 1HA GLY 36 -5.097 -15.827 -2.159 279 H THR 37 H THR 37 -3.837 -14.038 -1.552 280 HA THR 37 HA THR 37 -5.304 -11.936 -0.035 281 HB THR 37 HB THR 37 -2.985 -11.581 1.138 282 HG1 THR 37 HG1 THR 37 -1.581 -13.053 0.700 283 1HG2 THR 37 1HG2 THR 37 -4.815 -12.196 2.495 284 2HG2 THR 37 2HG2 THR 37 -3.623 -13.460 2.799 285 3HG2 THR 37 3HG2 THR 37 -4.978 -13.767 1.713 286 H ARG 38 H ARG 38 -5.008 -9.952 -1.000 287 HA ARG 38 HA ARG 38 -2.820 -9.711 -3.042 288 1HB ARG 38 2HB ARG 38 -5.708 -9.113 -2.968 289 2HB ARG 38 1HB ARG 38 -4.725 -7.815 -3.646 290 1HG ARG 38 2HG ARG 38 -3.583 -9.695 -5.030 291 2HG ARG 38 1HG ARG 38 -4.997 -10.660 -4.601 292 1HD ARG 38 2HD ARG 38 -6.068 -8.199 -5.413 293 2HD ARG 38 1HD ARG 38 -4.775 -8.536 -6.580 294 HE ARG 38 HE ARG 38 -6.680 -10.719 -5.882 295 1HH1 ARG 38 2HH1 ARG 38 -4.600 -10.864 -8.091 296 2HH1 ARG 38 1HH1 ARG 38 -5.575 -10.581 -9.495 297 1HH2 ARG 38 1HH2 ARG 38 -8.264 -9.325 -7.702 298 2HH2 ARG 38 2HH2 ARG 38 -7.649 -9.710 -9.274 299 H ILE 39 H ILE 39 -1.910 -7.496 -3.249 300 HA ILE 39 HA ILE 39 -2.415 -5.670 -0.956 301 HB ILE 39 HB ILE 39 -0.622 -7.471 -0.494 302 1HG1 ILE 39 2HG1 ILE 39 0.171 -4.545 -0.338 303 2HG1 ILE 39 1HG1 ILE 39 -0.872 -5.378 0.817 304 1HG2 ILE 39 1HG2 ILE 39 0.499 -7.444 -2.645 305 2HG2 ILE 39 2HG2 ILE 39 1.627 -6.865 -1.419 306 3HG2 ILE 39 3HG2 ILE 39 0.831 -5.718 -2.496 307 1HD1 ILE 39 1HD1 ILE 39 0.946 -6.094 1.931 308 2HD1 ILE 39 2HD1 ILE 39 1.991 -5.292 0.758 309 3HD1 ILE 39 3HD1 ILE 39 1.479 -6.959 0.489 310 H GLU 40 H GLU 40 -2.190 -3.534 -1.585 311 HA GLU 40 HA GLU 40 -0.632 -2.910 -4.053 312 1HB GLU 40 2HB GLU 40 -3.572 -2.741 -3.582 313 2HB GLU 40 1HB GLU 40 -2.834 -1.409 -4.471 314 1HG GLU 40 2HG GLU 40 -2.556 -4.347 -5.171 315 2HG GLU 40 1HG GLU 40 -3.597 -3.193 -6.005 316 H ARG 41 H ARG 41 -0.042 -0.630 -4.165 317 HA ARG 41 HA ARG 41 -0.335 0.803 -1.543 318 1HB ARG 41 2HB ARG 41 1.916 0.299 -3.439 319 2HB ARG 41 1HB ARG 41 1.903 1.847 -2.595 320 1HG ARG 41 2HG ARG 41 1.913 0.787 -0.451 321 2HG ARG 41 1HG ARG 41 1.562 -0.792 -1.157 322 1HD ARG 41 2HD ARG 41 3.808 -1.144 -1.166 323 2HD ARG 41 1HD ARG 41 3.897 0.061 -2.466 324 HE ARG 41 HE ARG 41 4.770 1.576 -0.885 325 1HH1 ARG 41 1HH2 ARG 41 4.717 -1.215 0.768 326 2HH1 ARG 41 2HH2 ARG 41 4.296 -0.561 2.315 327 1HH2 ARG 41 2HH1 ARG 41 3.473 2.567 1.065 328 2HH2 ARG 41 1HH1 ARG 41 3.591 1.579 2.483 329 H GLY 42 H GLY 42 0.602 3.282 -2.297 330 1HA GLY 42 2HA GLY 42 -0.133 4.459 -4.692 331 2HA GLY 42 1HA GLY 42 -1.651 4.349 -3.799 332 H CYS 43 H CYS 43 -1.567 6.755 -3.844 333 HA CYS 43 HA CYS 43 0.224 7.821 -1.680 334 1HB CYS 43 2HB CYS 43 -0.869 9.374 -4.036 335 2HB CYS 43 1HB CYS 43 0.473 9.810 -2.981 336 H ALA 44 H ALA 44 -1.095 8.204 0.077 337 HA ALA 44 HA ALA 44 -3.545 9.831 -0.330 338 1HB ALA 44 1HB ALA 44 -4.797 8.124 1.089 339 2HB ALA 44 2HB ALA 44 -3.424 7.043 0.849 340 3HB ALA 44 3HB ALA 44 -4.375 7.582 -0.536 341 H ALA 45 H ALA 45 -4.543 10.179 2.021 342 HA ALA 45 HA ALA 45 -2.286 10.526 3.969 343 1HB ALA 45 1HB ALA 45 -2.707 12.661 3.001 344 2HB ALA 45 2HB ALA 45 -3.572 12.688 4.537 345 3HB ALA 45 3HB ALA 45 -4.453 12.416 3.034 346 H THR 46 H THR 46 -5.433 9.325 3.388 347 HA THR 46 HA THR 46 -5.889 9.038 6.341 348 HB THR 46 HB THR 46 -7.911 9.450 4.113 349 HG1 THR 46 HG1 THR 46 -8.111 11.493 4.992 350 1HG2 THR 46 1HG2 THR 46 -9.011 8.213 5.791 351 2HG2 THR 46 2HG2 THR 46 -9.389 9.887 6.196 352 3HG2 THR 46 3HG2 THR 46 -8.135 9.025 7.089 353 H CYS 47 H CYS 47 -5.542 7.485 3.308 354 HA CYS 47 HA CYS 47 -6.061 5.302 2.550 355 1HB CYS 47 2HB CYS 47 -5.284 4.483 5.328 356 2HB CYS 47 1HB CYS 47 -4.748 3.843 3.784 357 HA PRO 48 HA PRO 48 -9.978 5.071 5.140 358 1HB PRO 48 2HB PRO 48 -11.734 5.843 3.188 359 2HB PRO 48 1HB PRO 48 -10.952 6.989 4.295 360 1HG PRO 48 2HG PRO 48 -10.285 6.328 1.473 361 2HG PRO 48 1HG PRO 48 -10.240 7.888 2.308 362 1HD PRO 48 2HD PRO 48 -8.021 6.379 1.792 363 2HD PRO 48 1HD PRO 48 -8.144 7.528 3.144 364 H LYS 49 H LYS 49 -10.115 2.825 5.164 365 HA LYS 49 HA LYS 49 -11.557 1.481 3.021 366 1HB LYS 49 2HB LYS 49 -8.653 1.653 3.008 367 2HB LYS 49 1HB LYS 49 -9.186 -0.026 3.083 368 1HG LYS 49 2HG LYS 49 -9.631 0.066 0.879 369 2HG LYS 49 1HG LYS 49 -10.891 1.251 1.225 370 1HD LYS 49 2HD LYS 49 -9.624 2.992 0.496 371 2HD LYS 49 1HD LYS 49 -8.155 2.354 1.238 372 1HE LYS 49 2HE LYS 49 -7.986 0.680 -0.613 373 2HE LYS 49 1HE LYS 49 -9.394 1.441 -1.383 374 1HZ LYS 49 1HZ LYS 49 -6.908 2.257 -1.829 375 2HZ LYS 49 2HZ LYS 49 -7.277 3.225 -0.481 376 3HZ LYS 49 3HZ LYS 49 -8.241 3.305 -1.878 377 H GLY 50 H GLY 50 -10.673 -1.155 3.577 378 1HA GLY 50 2HA GLY 50 -10.779 -2.856 5.209 379 2HA GLY 50 1HA GLY 50 -10.568 -1.616 6.446 380 H SER 51 H SER 51 -12.618 -3.938 5.890 381 HA SER 51 HA SER 51 -14.945 -2.362 6.863 382 1HB SER 51 2HB SER 51 -15.208 -2.316 4.462 383 2HB SER 51 1HB SER 51 -14.842 -4.034 4.336 384 HG SER 51 HG SER 51 -17.192 -2.817 4.808 385 H VAL 52 H VAL 52 -14.997 -5.595 5.443 386 HA VAL 52 HA VAL 52 -15.941 -6.713 8.011 387 HB VAL 52 HB VAL 52 -15.475 -8.022 5.320 388 1HG1 VAL 52 1HG1 VAL 52 -17.645 -8.749 7.242 389 2HG1 VAL 52 2HG1 VAL 52 -16.000 -9.263 7.615 390 3HG1 VAL 52 3HG1 VAL 52 -16.762 -9.773 6.109 391 1HG2 VAL 52 1HG2 VAL 52 -17.239 -6.888 4.497 392 2HG2 VAL 52 2HG2 VAL 52 -17.203 -5.881 5.945 393 3HG2 VAL 52 3HG2 VAL 52 -18.221 -7.320 5.897 394 H TYR 53 H TYR 53 -13.123 -5.858 7.749 395 HA TYR 53 HA TYR 53 -11.032 -6.678 8.511 396 1HB TYR 53 2HB TYR 53 -12.812 -8.061 9.873 397 2HB TYR 53 1HB TYR 53 -12.336 -9.377 8.800 398 HD1 TYR 53 HD1 TYR 53 -10.502 -6.595 10.539 399 HD2 TYR 53 HD2 TYR 53 -10.806 -10.816 9.800 400 HE1 TYR 53 HE1 TYR 53 -8.475 -6.983 11.914 401 HE2 TYR 53 HE2 TYR 53 -8.779 -11.203 11.175 402 HH TYR 53 HH TYR 53 -6.845 -10.016 11.973 403 H GLY 54 H GLY 54 -11.500 -6.584 5.740 404 1HA GLY 54 2HA GLY 54 -9.940 -8.971 4.853 405 2HA GLY 54 1HA GLY 54 -11.357 -8.466 3.932 406 H LEU 55 H LEU 55 -9.603 -5.895 5.367 407 HA LEU 55 HA LEU 55 -7.931 -5.467 2.946 408 1HB LEU 55 2HB LEU 55 -10.381 -3.978 3.787 409 2HB LEU 55 1HB LEU 55 -9.055 -3.038 3.101 410 HG LEU 55 HG LEU 55 -9.241 -5.247 1.415 411 1HD1 LEU 55 1HD1 LEU 55 -11.955 -4.369 2.404 412 2HD1 LEU 55 2HD1 LEU 55 -11.343 -6.009 2.183 413 3HD1 LEU 55 3HD1 LEU 55 -11.743 -5.019 0.778 414 1HD2 LEU 55 1HD2 LEU 55 -10.815 -3.088 0.378 415 2HD2 LEU 55 2HD2 LEU 55 -9.144 -3.501 -0.005 416 3HD2 LEU 55 3HD2 LEU 55 -9.498 -2.404 1.330 417 H TYR 56 H TYR 56 -6.089 -5.581 4.344 418 HA TYR 56 HA TYR 56 -5.898 -3.922 6.749 419 1HB TYR 56 2HB TYR 56 -4.806 -6.190 6.226 420 2HB TYR 56 1HB TYR 56 -3.687 -5.294 5.199 421 HD1 TYR 56 HD1 TYR 56 -1.816 -4.202 6.127 422 HD2 TYR 56 HD2 TYR 56 -5.035 -5.451 8.683 423 HE1 TYR 56 HE1 TYR 56 -0.465 -3.605 8.121 424 HE2 TYR 56 HE2 TYR 56 -3.686 -4.852 10.676 425 HH TYR 56 HH TYR 56 -1.413 -2.940 10.848 426 H VAL 57 H VAL 57 -5.592 -1.729 6.560 427 HA VAL 57 HA VAL 57 -3.939 -0.741 4.260 428 HB VAL 57 HB VAL 57 -6.136 0.675 5.796 429 1HG1 VAL 57 1HG1 VAL 57 -6.025 2.322 4.083 430 2HG1 VAL 57 2HG1 VAL 57 -5.038 1.290 3.049 431 3HG1 VAL 57 3HG1 VAL 57 -4.346 1.995 4.510 432 1HG2 VAL 57 1HG2 VAL 57 -7.385 0.228 3.568 433 2HG2 VAL 57 2HG2 VAL 57 -7.242 -1.111 4.706 434 3HG2 VAL 57 3HG2 VAL 57 -6.176 -1.028 3.303 435 H LEU 58 H LEU 58 -2.326 0.782 4.730 436 HA LEU 58 HA LEU 58 -2.050 1.788 7.516 437 1HB LEU 58 2HB LEU 58 -0.897 -0.327 7.573 438 2HB LEU 58 1HB LEU 58 -0.109 -0.005 6.029 439 HG LEU 58 HG LEU 58 0.322 1.988 8.200 440 1HD1 LEU 58 1HD1 LEU 58 0.818 -0.821 8.582 441 2HD1 LEU 58 2HD1 LEU 58 1.173 0.516 9.674 442 3HD1 LEU 58 3HD1 LEU 58 2.359 0.028 8.464 443 1HD2 LEU 58 1HD2 LEU 58 1.536 1.087 5.700 444 2HD2 LEU 58 2HD2 LEU 58 2.722 1.227 6.997 445 3HD2 LEU 58 3HD2 LEU 58 1.735 2.619 6.550 446 H CYS 59 H CYS 59 -1.236 3.873 7.471 447 HA CYS 59 HA CYS 59 -0.290 4.919 4.839 448 1HB CYS 59 2HB CYS 59 -0.915 6.546 7.301 449 2HB CYS 59 1HB CYS 59 -1.063 7.011 5.609 450 H CYS 60 H CYS 60 1.776 5.810 4.626 451 HA CYS 60 HA CYS 60 3.432 6.294 7.022 452 1HB CYS 60 2HB CYS 60 5.205 4.725 5.804 453 2HB CYS 60 1HB CYS 60 4.009 4.049 6.902 454 H THR 61 H THR 61 5.701 7.052 6.259 455 HA THR 61 HA THR 61 5.810 8.154 3.544 456 HB THR 61 HB THR 61 4.379 9.683 4.962 457 HG1 THR 61 HG1 THR 61 5.305 11.433 4.086 458 1HG2 THR 61 1HG2 THR 61 6.985 9.859 6.483 459 2HG2 THR 61 2HG2 THR 61 5.386 9.463 7.112 460 3HG2 THR 61 3HG2 THR 61 5.745 11.108 6.587 461 H THR 62 H THR 62 7.912 9.695 3.522 462 HA THR 62 HA THR 62 10.267 9.750 3.754 463 HB THR 62 HB THR 62 9.836 8.578 6.494 464 HG1 THR 62 HG1 THR 62 9.139 11.193 5.647 465 1HG2 THR 62 1HG2 THR 62 11.582 10.094 7.115 466 2HG2 THR 62 2HG2 THR 62 11.437 10.982 5.598 467 3HG2 THR 62 3HG2 THR 62 12.092 9.344 5.603 468 H ASP 63 H ASP 63 11.241 8.178 2.494 469 HA ASP 63 HA ASP 63 12.209 6.089 1.942 470 1HB ASP 63 2HB ASP 63 12.790 6.573 4.498 471 2HB ASP 63 1HB ASP 63 11.719 5.197 4.762 472 H ASP 64 H ASP 64 11.198 4.391 0.908 473 HA ASP 64 HA ASP 64 9.585 2.702 0.474 474 1HB ASP 64 2HB ASP 64 9.999 2.824 3.246 475 2HB ASP 64 1HB ASP 64 8.246 2.816 3.054 476 H CYS 65 H CYS 65 7.735 4.692 2.860 477 HA CYS 65 HA CYS 65 5.592 4.978 0.835 478 1HB CYS 65 2HB CYS 65 5.818 5.717 3.766 479 2HB CYS 65 1HB CYS 65 4.337 5.794 2.810 480 H ASN 66 HN ASN 66 8.267 6.558 0.874 481 HA ASN 66 HA ASN 66 7.296 9.326 1.290 482 1HB ASN 66 2HB ASN 66 9.705 9.815 0.732 483 2HB ASN 66 1HB ASN 66 9.506 8.700 2.085 484 1HD2 ASN 66 1HD2 ASN 66 11.420 9.095 -0.541 485 2HD2 ASN 66 2HD2 ASN 66 11.720 7.476 -0.950 Start of MODEL 8 1 1H MET 1 1H MET 1 13.334 12.668 -3.053 2 2H MET 1 2H MET 1 12.183 13.900 -2.837 3 3H MET 1 3H MET 1 12.129 12.916 -4.222 4 HA MET 1 HA MET 1 11.983 11.496 -1.685 5 1HB MET 1 2HB MET 1 9.960 13.512 -2.683 6 2HB MET 1 1HB MET 1 9.509 12.199 -1.595 7 1HG MET 1 2HG MET 1 11.178 12.967 0.043 8 2HG MET 1 1HG MET 1 11.659 14.267 -1.047 9 1HE MET 1 1HE MET 1 8.779 13.421 1.826 10 2HE MET 1 2HE MET 1 8.900 12.411 0.387 11 3HE MET 1 3HE MET 1 7.529 13.501 0.577 12 H LYS 2 H LYS 2 11.108 9.474 -2.145 13 HA LYS 2 HA LYS 2 9.600 9.072 -4.673 14 1HB LYS 2 2HB LYS 2 12.164 7.608 -3.962 15 2HB LYS 2 1HB LYS 2 11.202 7.374 -5.422 16 1HG LYS 2 2HG LYS 2 11.569 9.837 -5.925 17 2HG LYS 2 1HG LYS 2 12.746 9.847 -4.612 18 1HD LYS 2 2HD LYS 2 14.234 9.241 -6.219 19 2HD LYS 2 1HD LYS 2 13.528 7.635 -6.034 20 1HE LYS 2 2HE LYS 2 11.897 8.151 -7.836 21 2HE LYS 2 1HE LYS 2 12.657 9.740 -8.047 22 1HZ LYS 2 1HZ LYS 2 14.033 7.114 -8.264 23 2HZ LYS 2 2HZ LYS 2 14.777 8.633 -8.423 24 3HZ LYS 2 3HZ LYS 2 13.626 8.124 -9.564 25 H CYS 3 H CYS 3 8.755 6.767 -4.758 26 HA CYS 3 HA CYS 3 8.544 5.534 -2.031 27 1HB CYS 3 2HB CYS 3 6.620 7.058 -2.687 28 2HB CYS 3 1HB CYS 3 6.268 5.931 -3.997 29 H LYS 4 H LYS 4 8.924 3.352 -2.116 30 HA LYS 4 HA LYS 4 9.224 2.038 -4.747 31 1HB LYS 4 2HB LYS 4 10.885 1.857 -2.893 32 2HB LYS 4 1HB LYS 4 9.660 1.052 -1.911 33 1HG LYS 4 2HG LYS 4 9.697 -0.879 -3.195 34 2HG LYS 4 1HG LYS 4 10.240 -0.029 -4.643 35 1HD LYS 4 2HD LYS 4 12.314 0.389 -2.845 36 2HD LYS 4 1HD LYS 4 11.822 -1.274 -2.520 37 1HE LYS 4 2HE LYS 4 11.800 -1.358 -5.217 38 2HE LYS 4 1HE LYS 4 13.047 -0.118 -4.977 39 1HZ LYS 4 1HZ LYS 4 14.336 -1.939 -4.652 40 2HZ LYS 4 2HZ LYS 4 13.037 -2.921 -4.165 41 3HZ LYS 4 3HZ LYS 4 13.726 -1.816 -3.074 42 H ILE 5 H ILE 5 7.656 0.704 -5.599 43 HA ILE 5 HA ILE 5 5.338 -0.010 -3.850 44 HB ILE 5 HB ILE 5 5.751 0.230 -6.842 45 1HG1 ILE 5 2HG1 ILE 5 3.522 1.669 -5.706 46 2HG1 ILE 5 1HG1 ILE 5 4.989 2.048 -4.804 47 1HG2 ILE 5 1HG2 ILE 5 3.976 -1.103 -7.190 48 2HG2 ILE 5 2HG2 ILE 5 3.002 -0.126 -6.090 49 3HG2 ILE 5 3HG2 ILE 5 3.946 -1.480 -5.467 50 1HD1 ILE 5 1HD1 ILE 5 6.117 2.818 -6.743 51 2HD1 ILE 5 2HD1 ILE 5 4.492 3.490 -6.880 52 3HD1 ILE 5 3HD1 ILE 5 4.940 2.068 -7.822 53 H CYS 6 H CYS 6 5.302 -2.083 -3.128 54 HA CYS 6 HA CYS 6 6.942 -4.157 -4.492 55 1HB CYS 6 2HB CYS 6 5.447 -4.040 -1.851 56 2HB CYS 6 1HB CYS 6 6.460 -5.387 -2.367 57 H ASN 7 H ASN 7 5.352 -6.381 -3.552 58 HA ASN 7 HA ASN 7 2.608 -6.188 -4.414 59 1HB ASN 7 2HB ASN 7 2.803 -7.060 -6.644 60 2HB ASN 7 1HB ASN 7 3.975 -5.747 -6.522 61 1HD2 ASN 7 1HD2 ASN 7 3.770 -8.692 -7.868 62 2HD2 ASN 7 2HD2 ASN 7 5.357 -9.256 -7.653 63 H PHE 8 H PHE 8 1.524 -8.207 -4.232 64 HA PHE 8 HA PHE 8 1.174 -10.335 -3.269 65 1HB PHE 8 2HB PHE 8 3.307 -10.366 -5.249 66 2HB PHE 8 1HB PHE 8 3.502 -11.668 -4.074 67 HD1 PHE 8 HD1 PHE 8 1.632 -13.287 -3.680 68 HD2 PHE 8 HD2 PHE 8 1.519 -10.383 -6.842 69 HE1 PHE 8 HE1 PHE 8 -0.186 -14.562 -4.786 70 HE2 PHE 8 HE2 PHE 8 -0.299 -11.657 -7.947 71 HZ PHE 8 HZ PHE 8 -1.151 -13.746 -6.919 72 H ASP 9 H ASP 9 1.974 -8.799 -1.233 73 HA ASP 9 HA ASP 9 2.901 -8.988 0.935 74 1HB ASP 9 2HB ASP 9 2.750 -11.573 -0.207 75 2HB ASP 9 1HB ASP 9 4.320 -11.469 0.590 76 H THR 10 H THR 10 5.174 -10.062 -1.654 77 HA THR 10 HA THR 10 7.392 -8.791 -0.120 78 HB THR 10 HB THR 10 8.717 -10.108 -1.909 79 HG1 THR 10 HG1 THR 10 6.677 -10.316 -3.165 80 1HG2 THR 10 1HG2 THR 10 7.021 -11.969 -0.295 81 2HG2 THR 10 2HG2 THR 10 7.993 -10.770 0.558 82 3HG2 THR 10 3HG2 THR 10 8.772 -11.944 -0.502 83 H CYS 11 H CYS 11 9.147 -8.084 -2.016 84 HA CYS 11 HA CYS 11 7.684 -6.020 -3.617 85 1HB CYS 11 2HB CYS 11 9.634 -5.777 -1.724 86 2HB CYS 11 1HB CYS 11 10.613 -5.854 -3.189 87 H ARG 12 H ARG 12 7.768 -8.579 -4.758 88 HA ARG 12 HA ARG 12 10.039 -9.149 -6.386 89 1HB ARG 12 2HB ARG 12 7.067 -9.675 -6.660 90 2HB ARG 12 1HB ARG 12 8.270 -10.392 -7.733 91 1HG ARG 12 2HG ARG 12 9.283 -10.852 -5.173 92 2HG ARG 12 1HG ARG 12 7.550 -11.143 -5.011 93 1HD ARG 12 2HD ARG 12 7.569 -12.917 -6.524 94 2HD ARG 12 1HD ARG 12 9.001 -12.304 -7.377 95 HE ARG 12 HE ARG 12 10.113 -12.790 -4.996 96 1HH1 ARG 12 2HH1 ARG 12 7.401 -14.415 -4.713 97 2HH1 ARG 12 1HH1 ARG 12 8.025 -16.017 -4.929 98 1HH2 ARG 12 1HH2 ARG 12 11.089 -14.943 -6.146 99 2HH2 ARG 12 2HH2 ARG 12 10.114 -16.316 -5.742 100 H ALA 13 H ALA 13 7.732 -6.621 -6.563 101 HA ALA 13 HA ALA 13 8.147 -6.147 -9.463 102 1HB ALA 13 1HB ALA 13 6.557 -4.623 -7.374 103 2HB ALA 13 2HB ALA 13 5.917 -5.968 -8.316 104 3HB ALA 13 3HB ALA 13 6.399 -4.476 -9.124 105 H GLY 14 H GLY 14 8.753 -4.551 -6.323 106 1HA GLY 14 2HA GLY 14 10.188 -2.776 -5.771 107 2HA GLY 14 1HA GLY 14 11.257 -3.468 -6.992 108 H GLU 15 H GLU 15 8.022 -2.064 -7.481 109 HA GLU 15 HA GLU 15 9.131 -0.351 -9.621 110 1HB GLU 15 2HB GLU 15 6.558 -1.474 -8.754 111 2HB GLU 15 1HB GLU 15 6.428 0.189 -9.327 112 1HG GLU 15 2HG GLU 15 6.800 -0.417 -11.472 113 2HG GLU 15 1HG GLU 15 8.166 -1.439 -11.023 114 H LEU 16 H LEU 16 10.366 1.164 -8.292 115 HA LEU 16 HA LEU 16 8.818 2.815 -6.367 116 1HB LEU 16 2HB LEU 16 10.948 2.021 -5.607 117 2HB LEU 16 1HB LEU 16 11.738 2.513 -7.106 118 HG LEU 16 HG LEU 16 10.342 4.706 -5.729 119 1HD1 LEU 16 1HD1 LEU 16 12.836 4.400 -4.359 120 2HD1 LEU 16 2HD1 LEU 16 11.906 2.916 -4.148 121 3HD1 LEU 16 3HD1 LEU 16 11.214 4.467 -3.670 122 1HD2 LEU 16 1HD2 LEU 16 11.907 4.883 -7.696 123 2HD2 LEU 16 2HD2 LEU 16 13.219 4.377 -6.633 124 3HD2 LEU 16 3HD2 LEU 16 12.372 5.893 -6.327 125 H LYS 17 H LYS 17 8.574 5.071 -6.642 126 HA LYS 17 HA LYS 17 9.650 6.400 -9.039 127 1HB LYS 17 2HB LYS 17 7.460 5.015 -9.494 128 2HB LYS 17 1HB LYS 17 6.662 6.343 -8.648 129 1HG LYS 17 2HG LYS 17 6.610 7.294 -10.722 130 2HG LYS 17 1HG LYS 17 8.276 7.734 -10.343 131 1HD LYS 17 2HD LYS 17 8.246 6.679 -12.528 132 2HD LYS 17 1HD LYS 17 9.017 5.575 -11.388 133 1HE LYS 17 2HE LYS 17 7.522 4.020 -12.116 134 2HE LYS 17 1HE LYS 17 6.300 4.933 -11.207 135 1HZ LYS 17 1HZ LYS 17 6.060 4.603 -13.781 136 2HZ LYS 17 2HZ LYS 17 7.128 5.923 -13.840 137 3HZ LYS 17 3HZ LYS 17 5.630 6.074 -13.053 138 H VAL 18 H VAL 18 7.190 8.270 -8.614 139 HA VAL 18 HA VAL 18 8.316 9.667 -6.216 140 HB VAL 18 HB VAL 18 7.454 11.693 -7.442 141 1HG1 VAL 18 1HG1 VAL 18 9.093 10.789 -9.563 142 2HG1 VAL 18 2HG1 VAL 18 9.659 9.952 -8.118 143 3HG1 VAL 18 3HG1 VAL 18 9.597 11.714 -8.149 144 1HG2 VAL 18 1HG2 VAL 18 6.202 11.486 -9.326 145 2HG2 VAL 18 2HG2 VAL 18 5.979 9.807 -8.834 146 3HG2 VAL 18 3HG2 VAL 18 7.252 10.228 -9.980 147 H CYS 19 H CYS 19 6.792 10.640 -4.760 148 HA CYS 19 HA CYS 19 3.903 10.338 -5.226 149 1HB CYS 19 2HB CYS 19 4.527 8.083 -4.566 150 2HB CYS 19 1HB CYS 19 5.438 8.699 -3.187 151 H ALA 20 H ALA 20 5.553 10.237 -2.098 152 HA ALA 20 HA ALA 20 4.121 12.446 -1.004 153 1HB ALA 20 1HB ALA 20 5.270 10.626 0.245 154 2HB ALA 20 2HB ALA 20 5.772 12.221 0.808 155 3HB ALA 20 3HB ALA 20 6.826 11.289 -0.255 156 H SER 21 H SER 21 4.301 14.268 -2.427 157 HA SER 21 HA SER 21 7.052 15.437 -2.682 158 1HB SER 21 2HB SER 21 4.819 14.999 -4.482 159 2HB SER 21 1HB SER 21 5.239 16.708 -4.428 160 HG SER 21 HG SER 21 6.596 15.860 -5.907 161 H GLY 22 H GLY 22 3.926 15.837 -1.292 162 1HA GLY 22 2HA GLY 22 4.758 18.436 -0.160 163 2HA GLY 22 1HA GLY 22 3.268 18.440 -1.106 164 H GLU 23 H GLU 23 1.629 16.716 -0.413 165 HA GLU 23 HA GLU 23 1.801 16.084 2.500 166 1HB GLU 23 2HB GLU 23 -0.574 16.992 2.653 167 2HB GLU 23 1HB GLU 23 0.674 18.209 2.386 168 1HG GLU 23 2HG GLU 23 -0.041 18.673 0.265 169 2HG GLU 23 1HG GLU 23 -0.485 16.997 -0.060 170 H LYS 24 H LYS 24 2.137 13.925 1.268 171 HA LYS 24 HA LYS 24 -0.446 12.517 1.174 172 1HB LYS 24 2HB LYS 24 0.063 11.732 -1.193 173 2HB LYS 24 1HB LYS 24 -0.374 13.435 -1.055 174 1HG LYS 24 2HG LYS 24 2.392 13.398 -0.657 175 2HG LYS 24 1HG LYS 24 2.121 12.247 -1.967 176 1HD LYS 24 2HD LYS 24 0.605 14.798 -2.126 177 2HD LYS 24 1HD LYS 24 2.347 14.907 -2.384 178 1HE LYS 24 2HE LYS 24 2.052 14.135 -4.491 179 2HE LYS 24 1HE LYS 24 1.405 12.622 -3.826 180 1HZ LYS 24 1HZ LYS 24 -0.116 14.143 -5.267 181 2HZ LYS 24 2HZ LYS 24 -0.276 15.034 -3.830 182 3HZ LYS 24 3HZ LYS 24 -0.740 13.399 -3.877 183 H TYR 25 H TYR 25 -0.076 10.509 2.031 184 HA TYR 25 HA TYR 25 2.738 9.503 2.110 185 1HB TYR 25 2HB TYR 25 0.255 8.749 3.689 186 2HB TYR 25 1HB TYR 25 1.894 8.195 4.018 187 HD1 TYR 25 HD1 TYR 25 0.268 9.600 6.080 188 HD2 TYR 25 HD2 TYR 25 2.887 11.155 3.051 189 HE1 TYR 25 HE1 TYR 25 0.672 11.617 7.464 190 HE2 TYR 25 HE2 TYR 25 3.291 13.172 4.436 191 HH TYR 25 HH TYR 25 2.949 13.448 7.421 192 H CYS 26 H CYS 26 3.209 7.439 1.266 193 HA CYS 26 HA CYS 26 1.565 6.387 -0.823 194 1HB CYS 26 2HB CYS 26 4.045 5.735 0.630 195 2HB CYS 26 1HB CYS 26 3.215 4.325 -0.030 196 H PHE 27 H PHE 27 -0.503 5.727 -0.264 197 HA PHE 27 HA PHE 27 -1.084 4.346 2.240 198 1HB PHE 27 2HB PHE 27 -2.707 5.832 1.278 199 2HB PHE 27 1HB PHE 27 -2.622 5.012 -0.281 200 HD1 PHE 27 HD1 PHE 27 -2.628 3.275 2.986 201 HD2 PHE 27 HD2 PHE 27 -4.951 4.397 -0.448 202 HE1 PHE 27 HE1 PHE 27 -4.429 1.727 3.700 203 HE2 PHE 27 HE2 PHE 27 -6.753 2.850 0.267 204 HZ PHE 27 HZ PHE 27 -6.492 1.514 2.340 205 H LYS 28 H LYS 28 -1.145 2.158 2.557 206 HA LYS 28 HA LYS 28 -0.924 0.379 0.149 207 1HB LYS 28 2HB LYS 28 0.701 0.744 2.513 208 2HB LYS 28 1HB LYS 28 0.076 -0.904 2.470 209 1HG LYS 28 2HG LYS 28 1.069 -1.356 0.379 210 2HG LYS 28 1HG LYS 28 1.289 0.356 0.014 211 1HD LYS 28 2HD LYS 28 2.935 0.513 1.874 212 2HD LYS 28 1HD LYS 28 2.758 -1.221 2.147 213 1HE LYS 28 2HE LYS 28 3.443 -0.242 -0.615 214 2HE LYS 28 1HE LYS 28 4.720 -0.374 0.611 215 1HZ LYS 28 1HZ LYS 28 4.539 -2.603 0.696 216 2HZ LYS 28 2HZ LYS 28 3.855 -2.442 -0.851 217 3HZ LYS 28 3HZ LYS 28 2.852 -2.589 0.512 218 H GLU 29 H GLU 29 -2.717 -0.909 -0.061 219 HA GLU 29 HA GLU 29 -4.272 -1.570 2.421 220 1HB GLU 29 2HB GLU 29 -5.429 -0.003 0.958 221 2HB GLU 29 1HB GLU 29 -5.141 -1.042 -0.437 222 1HG GLU 29 2HG GLU 29 -6.497 -2.824 0.616 223 2HG GLU 29 1HG GLU 29 -6.805 -1.765 1.993 224 H SER 30 H SER 30 -4.156 -3.728 2.876 225 HA SER 30 HA SER 30 -3.495 -5.642 0.688 226 1HB SER 30 2HB SER 30 -2.442 -6.817 2.351 227 2HB SER 30 1HB SER 30 -2.508 -5.278 3.203 228 HG SER 30 HG SER 30 -4.058 -7.585 3.508 229 H TRP 31 H TRP 31 -5.357 -6.362 -0.309 230 HA TRP 31 HA TRP 31 -7.893 -6.600 1.142 231 1HB TRP 31 2HB TRP 31 -8.013 -5.886 -1.113 232 2HB TRP 31 1HB TRP 31 -6.875 -7.119 -1.653 233 HD1 TRP 31 HD1 TRP 31 -10.488 -6.751 -0.384 234 HE1 TRP 31 HE1 TRP 31 -11.856 -8.765 -1.234 235 HE3 TRP 31 HE3 TRP 31 -6.766 -9.492 -2.555 236 HZ2 TRP 31 HZ2 TRP 31 -11.428 -11.214 -2.648 237 HZ3 TRP 31 HZ3 TRP 31 -7.273 -11.659 -3.645 238 HH2 TRP 31 HH2 TRP 31 -9.597 -12.523 -3.694 239 H ARG 32 H ARG 32 -8.419 -8.391 2.318 240 HA ARG 32 HA ARG 32 -6.994 -10.959 1.734 241 1HB ARG 32 2HB ARG 32 -8.149 -9.598 4.144 242 2HB ARG 32 1HB ARG 32 -8.067 -11.362 4.137 243 1HG ARG 32 2HG ARG 32 -5.584 -10.311 3.144 244 2HG ARG 32 1HG ARG 32 -5.963 -9.531 4.680 245 1HD ARG 32 2HD ARG 32 -6.615 -12.256 5.045 246 2HD ARG 32 1HD ARG 32 -5.044 -12.235 4.220 247 HE ARG 32 HE ARG 32 -4.735 -10.263 6.096 248 1HH1 ARG 32 2HH1 ARG 32 -5.160 -13.646 6.008 249 2HH1 ARG 32 1HH1 ARG 32 -4.953 -13.868 7.714 250 1HH2 ARG 32 1HH2 ARG 32 -4.774 -10.474 8.401 251 2HH2 ARG 32 2HH2 ARG 32 -4.736 -12.072 9.069 252 H GLU 33 H GLU 33 -8.332 -12.945 1.890 253 HA GLU 33 HA GLU 33 -11.233 -12.794 1.944 254 1HB GLU 33 2HB GLU 33 -9.894 -12.076 -0.443 255 2HB GLU 33 1HB GLU 33 -10.562 -13.685 -0.726 256 1HG GLU 33 2HG GLU 33 -12.501 -12.089 0.677 257 2HG GLU 33 1HG GLU 33 -11.950 -11.212 -0.750 258 H ALA 34 H ALA 34 -11.831 -15.044 0.402 259 HA ALA 34 HA ALA 34 -10.400 -17.174 1.922 260 1HB ALA 34 1HB ALA 34 -12.470 -18.457 0.941 261 2HB ALA 34 2HB ALA 34 -13.073 -16.840 0.577 262 3HB ALA 34 3HB ALA 34 -12.723 -17.298 2.244 263 H ARG 35 H ARG 35 -11.177 -16.120 -1.368 264 HA ARG 35 HA ARG 35 -10.156 -18.509 -2.674 265 1HB ARG 35 2HB ARG 35 -10.641 -15.674 -3.651 266 2HB ARG 35 1HB ARG 35 -10.412 -17.084 -4.688 267 1HG ARG 35 2HG ARG 35 -12.395 -18.141 -3.505 268 2HG ARG 35 1HG ARG 35 -12.685 -16.571 -2.755 269 1HD ARG 35 2HD ARG 35 -12.360 -15.947 -5.454 270 2HD ARG 35 1HD ARG 35 -13.308 -17.447 -5.470 271 HE ARG 35 HE ARG 35 -14.074 -15.045 -3.849 272 1HH1 ARG 35 1HH2 ARG 35 -15.444 -17.555 -3.084 273 2HH1 ARG 35 2HH2 ARG 35 -16.861 -17.538 -4.081 274 1HH2 ARG 35 2HH1 ARG 35 -15.617 -15.151 -6.267 275 2HH2 ARG 35 1HH1 ARG 35 -16.958 -16.179 -5.884 276 H GLY 36 H GLY 36 -8.811 -15.316 -1.858 277 1HA GLY 36 2HA GLY 36 -6.114 -16.307 -1.798 278 2HA GLY 36 1HA GLY 36 -6.398 -15.439 -3.307 279 H THR 37 H THR 37 -4.821 -13.846 -2.526 280 HA THR 37 HA THR 37 -6.137 -11.728 -0.925 281 HB THR 37 HB THR 37 -3.651 -13.267 -0.154 282 HG1 THR 37 HG1 THR 37 -5.077 -14.040 1.156 283 1HG2 THR 37 1HG2 THR 37 -3.062 -10.900 -0.042 284 2HG2 THR 37 2HG2 THR 37 -3.291 -11.526 1.590 285 3HG2 THR 37 3HG2 THR 37 -4.549 -10.547 0.837 286 H ARG 38 H ARG 38 -5.283 -9.661 -1.419 287 HA ARG 38 HA ARG 38 -2.934 -9.555 -3.267 288 1HB ARG 38 2HB ARG 38 -5.334 -9.594 -4.319 289 2HB ARG 38 1HB ARG 38 -5.425 -7.929 -3.742 290 1HG ARG 38 2HG ARG 38 -3.622 -7.232 -5.096 291 2HG ARG 38 1HG ARG 38 -3.061 -8.886 -5.352 292 1HD ARG 38 2HD ARG 38 -5.552 -9.100 -6.396 293 2HD ARG 38 1HD ARG 38 -5.218 -7.392 -6.750 294 HE ARG 38 HE ARG 38 -3.094 -8.152 -7.838 295 1HH1 ARG 38 1HH2 ARG 38 -5.970 -9.872 -8.096 296 2HH1 ARG 38 2HH2 ARG 38 -5.274 -11.261 -8.862 297 1HH2 ARG 38 2HH1 ARG 38 -2.004 -10.191 -8.426 298 2HH2 ARG 38 1HH1 ARG 38 -3.028 -11.442 -9.050 299 H ILE 39 H ILE 39 -2.216 -7.188 -3.526 300 HA ILE 39 HA ILE 39 -2.909 -5.513 -1.150 301 HB ILE 39 HB ILE 39 -0.918 -6.986 -0.721 302 1HG1 ILE 39 2HG1 ILE 39 -0.218 -4.044 -0.978 303 2HG1 ILE 39 1HG1 ILE 39 -1.194 -4.718 0.328 304 1HG2 ILE 39 1HG2 ILE 39 -0.182 -6.945 -3.146 305 2HG2 ILE 39 2HG2 ILE 39 1.110 -6.664 -1.979 306 3HG2 ILE 39 3HG2 ILE 39 0.410 -5.308 -2.865 307 1HD1 ILE 39 1HD1 ILE 39 1.113 -4.550 1.084 308 2HD1 ILE 39 2HD1 ILE 39 1.677 -5.433 -0.334 309 3HD1 ILE 39 3HD1 ILE 39 0.703 -6.254 0.886 310 H GLU 40 H GLU 40 -3.367 -3.481 -1.888 311 HA GLU 40 HA GLU 40 -2.195 -2.618 -4.506 312 1HB GLU 40 2HB GLU 40 -4.781 -2.819 -3.718 313 2HB GLU 40 1HB GLU 40 -4.445 -1.162 -3.215 314 1HG GLU 40 2HG GLU 40 -3.345 -1.034 -5.639 315 2HG GLU 40 1HG GLU 40 -4.489 -2.338 -5.962 316 H ARG 41 H ARG 41 -1.335 -0.452 -4.641 317 HA ARG 41 HA ARG 41 -0.772 0.851 -1.995 318 1HB ARG 41 2HB ARG 41 1.065 0.477 -4.386 319 2HB ARG 41 1HB ARG 41 1.496 1.285 -2.878 320 1HG ARG 41 2HG ARG 41 1.943 -0.683 -1.879 321 2HG ARG 41 1HG ARG 41 0.364 -1.326 -2.337 322 1HD ARG 41 2HD ARG 41 2.275 -1.122 -4.583 323 2HD ARG 41 1HD ARG 41 2.735 -2.285 -3.325 324 HE ARG 41 HE ARG 41 0.272 -3.095 -3.554 325 1HH1 ARG 41 1HH2 ARG 41 0.017 -1.027 -5.879 326 2HH1 ARG 41 2HH2 ARG 41 0.095 -2.099 -7.237 327 1HH2 ARG 41 2HH1 ARG 41 1.291 -4.780 -5.391 328 2HH2 ARG 41 1HH1 ARG 41 0.815 -4.224 -6.961 329 H GLY 42 H GLY 42 0.521 3.101 -2.906 330 1HA GLY 42 2HA GLY 42 0.009 4.636 -4.990 331 2HA GLY 42 1HA GLY 42 -1.648 4.477 -4.404 332 H CYS 43 H CYS 43 -1.187 6.960 -4.308 333 HA CYS 43 HA CYS 43 0.115 7.656 -1.700 334 1HB CYS 43 2HB CYS 43 -0.583 9.365 -4.111 335 2HB CYS 43 1HB CYS 43 0.365 9.876 -2.715 336 H ALA 44 H ALA 44 -1.234 8.309 -0.070 337 HA ALA 44 HA ALA 44 -3.745 9.738 -0.669 338 1HB ALA 44 1HB ALA 44 -4.913 7.793 -0.729 339 2HB ALA 44 2HB ALA 44 -4.624 7.699 1.008 340 3HB ALA 44 3HB ALA 44 -3.543 6.870 -0.111 341 H ALA 45 H ALA 45 -4.966 9.833 1.682 342 HA ALA 45 HA ALA 45 -3.023 10.052 3.906 343 1HB ALA 45 1HB ALA 45 -4.610 12.473 3.050 344 2HB ALA 45 2HB ALA 45 -3.024 12.134 2.357 345 3HB ALA 45 3HB ALA 45 -3.188 12.406 4.091 346 H THR 46 H THR 46 -5.829 8.876 3.020 347 HA THR 46 HA THR 46 -7.366 9.834 5.408 348 HB THR 46 HB THR 46 -9.197 8.563 3.936 349 HG1 THR 46 HG1 THR 46 -8.675 8.741 1.755 350 1HG2 THR 46 1HG2 THR 46 -8.181 11.221 2.943 351 2HG2 THR 46 2HG2 THR 46 -8.917 11.061 4.538 352 3HG2 THR 46 3HG2 THR 46 -9.850 10.669 3.094 353 H CYS 47 H CYS 47 -6.073 7.006 3.749 354 HA CYS 47 HA CYS 47 -6.142 4.709 4.317 355 1HB CYS 47 2HB CYS 47 -5.662 5.810 7.082 356 2HB CYS 47 1HB CYS 47 -4.893 4.446 6.283 357 HA PRO 48 HA PRO 48 -10.377 4.632 6.011 358 1HB PRO 48 2HB PRO 48 -11.231 2.595 4.395 359 2HB PRO 48 1HB PRO 48 -11.222 4.294 3.884 360 1HG PRO 48 2HG PRO 48 -9.309 2.114 3.236 361 2HG PRO 48 1HG PRO 48 -9.898 3.439 2.222 362 1HD PRO 48 2HD PRO 48 -7.441 3.412 3.438 363 2HD PRO 48 1HD PRO 48 -8.310 4.893 2.980 364 H LYS 49 H LYS 49 -11.587 2.131 6.262 365 HA LYS 49 HA LYS 49 -9.588 0.597 7.896 366 1HB LYS 49 2HB LYS 49 -12.407 1.515 8.325 367 2HB LYS 49 1HB LYS 49 -11.906 -0.001 9.076 368 1HG LYS 49 2HG LYS 49 -9.788 1.501 9.753 369 2HG LYS 49 1HG LYS 49 -10.994 2.783 9.631 370 1HD LYS 49 2HD LYS 49 -12.264 1.945 11.378 371 2HD LYS 49 1HD LYS 49 -11.717 0.288 11.119 372 1HE LYS 49 2HE LYS 49 -9.662 0.663 12.222 373 2HE LYS 49 1HE LYS 49 -9.796 2.425 12.059 374 1HZ LYS 49 1HZ LYS 49 -11.960 1.017 13.430 375 2HZ LYS 49 2HZ LYS 49 -11.328 2.568 13.712 376 3HZ LYS 49 3HZ LYS 49 -10.499 1.195 14.273 377 H GLY 50 H GLY 50 -11.180 -1.628 8.420 378 1HA GLY 50 2HA GLY 50 -11.769 -2.705 5.692 379 2HA GLY 50 1HA GLY 50 -10.886 -3.650 6.891 380 H SER 51 H SER 51 -12.776 -5.167 6.418 381 HA SER 51 HA SER 51 -14.601 -5.199 8.616 382 1HB SER 51 2HB SER 51 -15.248 -3.304 6.709 383 2HB SER 51 1HB SER 51 -16.242 -4.677 6.229 384 HG SER 51 HG SER 51 -16.695 -4.732 8.641 385 H VAL 52 H VAL 52 -15.795 -7.168 8.627 386 HA VAL 52 HA VAL 52 -16.239 -9.407 8.004 387 HB VAL 52 HB VAL 52 -16.217 -7.932 5.354 388 1HG1 VAL 52 1HG1 VAL 52 -15.844 -10.490 5.268 389 2HG1 VAL 52 2HG1 VAL 52 -17.171 -9.831 4.313 390 3HG1 VAL 52 3HG1 VAL 52 -17.501 -10.617 5.858 391 1HG2 VAL 52 1HG2 VAL 52 -17.939 -7.711 7.468 392 2HG2 VAL 52 2HG2 VAL 52 -18.708 -8.999 6.540 393 3HG2 VAL 52 3HG2 VAL 52 -18.402 -7.433 5.789 394 H TYR 53 H TYR 53 -14.535 -8.757 4.996 395 HA TYR 53 HA TYR 53 -12.793 -10.996 5.197 396 1HB TYR 53 2HB TYR 53 -12.676 -8.382 3.663 397 2HB TYR 53 1HB TYR 53 -11.571 -9.725 3.362 398 HD1 TYR 53 HD1 TYR 53 -14.358 -8.263 2.061 399 HD2 TYR 53 HD2 TYR 53 -13.057 -12.115 3.444 400 HE1 TYR 53 HE1 TYR 53 -16.068 -9.353 0.634 401 HE2 TYR 53 HE2 TYR 53 -14.767 -13.206 2.017 402 HH TYR 53 HH TYR 53 -16.524 -12.882 0.685 403 H GLY 54 H GLY 54 -11.805 -7.553 5.396 404 1HA GLY 54 2HA GLY 54 -10.559 -6.913 7.522 405 2HA GLY 54 1HA GLY 54 -9.655 -8.410 7.291 406 H LEU 55 H LEU 55 -10.363 -5.286 5.734 407 HA LEU 55 HA LEU 55 -8.159 -5.561 3.827 408 1HB LEU 55 2HB LEU 55 -10.184 -3.487 4.631 409 2HB LEU 55 1HB LEU 55 -8.834 -3.025 3.593 410 HG LEU 55 HG LEU 55 -9.818 -5.455 2.543 411 1HD1 LEU 55 1HD1 LEU 55 -12.201 -4.759 2.072 412 2HD1 LEU 55 2HD1 LEU 55 -12.011 -3.503 3.297 413 3HD1 LEU 55 3HD1 LEU 55 -11.894 -5.203 3.751 414 1HD2 LEU 55 1HD2 LEU 55 -10.492 -3.950 0.646 415 2HD2 LEU 55 2HD2 LEU 55 -8.849 -3.658 1.219 416 3HD2 LEU 55 3HD2 LEU 55 -10.153 -2.563 1.682 417 H TYR 56 H TYR 56 -6.052 -5.205 4.396 418 HA TYR 56 HA TYR 56 -5.372 -3.936 6.952 419 1HB TYR 56 2HB TYR 56 -4.270 -5.950 5.835 420 2HB TYR 56 1HB TYR 56 -3.559 -4.814 4.688 421 HD1 TYR 56 HD1 TYR 56 -3.672 -5.855 8.235 422 HD2 TYR 56 HD2 TYR 56 -1.796 -3.295 5.343 423 HE1 TYR 56 HE1 TYR 56 -1.881 -5.326 9.868 424 HE2 TYR 56 HE2 TYR 56 -0.005 -2.764 6.975 425 HH TYR 56 HH TYR 56 0.161 -4.391 10.116 426 H VAL 57 H VAL 57 -5.784 -1.704 6.847 427 HA VAL 57 HA VAL 57 -4.814 -0.154 4.508 428 HB VAL 57 HB VAL 57 -6.465 0.413 6.981 429 1HG1 VAL 57 1HG1 VAL 57 -6.567 2.599 5.169 430 2HG1 VAL 57 2HG1 VAL 57 -4.863 2.259 5.468 431 3HG1 VAL 57 3HG1 VAL 57 -5.946 2.596 6.819 432 1HG2 VAL 57 1HG2 VAL 57 -7.504 -0.775 5.034 433 2HG2 VAL 57 2HG2 VAL 57 -7.095 0.608 4.019 434 3HG2 VAL 57 3HG2 VAL 57 -8.237 0.798 5.350 435 H LEU 58 H LEU 58 -2.828 0.833 4.570 436 HA LEU 58 HA LEU 58 -1.739 1.818 7.138 437 1HB LEU 58 2HB LEU 58 -1.097 -0.541 7.083 438 2HB LEU 58 1HB LEU 58 -0.451 -0.352 5.453 439 HG LEU 58 HG LEU 58 0.855 1.645 6.832 440 1HD1 LEU 58 1HD1 LEU 58 0.245 1.040 9.019 441 2HD1 LEU 58 2HD1 LEU 58 1.793 0.225 8.809 442 3HD1 LEU 58 3HD1 LEU 58 0.290 -0.685 8.655 443 1HD2 LEU 58 1HD2 LEU 58 1.541 -1.180 6.058 444 2HD2 LEU 58 2HD2 LEU 58 2.730 -0.196 6.912 445 3HD2 LEU 58 3HD2 LEU 58 2.107 0.333 5.350 446 H CYS 59 H CYS 59 -1.213 3.882 6.502 447 HA CYS 59 HA CYS 59 -0.023 4.299 3.793 448 1HB CYS 59 2HB CYS 59 -1.058 6.314 5.809 449 2HB CYS 59 1HB CYS 59 -0.766 6.580 4.090 450 H CYS 60 H CYS 60 2.092 5.020 3.612 451 HA CYS 60 HA CYS 60 3.501 5.857 6.118 452 1HB CYS 60 2HB CYS 60 5.446 4.489 4.793 453 2HB CYS 60 1HB CYS 60 4.418 3.757 6.017 454 H THR 61 H THR 61 5.696 6.865 5.521 455 HA THR 61 HA THR 61 5.937 7.987 2.834 456 HB THR 61 HB THR 61 4.263 9.470 3.667 457 HG1 THR 61 HG1 THR 61 5.377 11.179 3.220 458 1HG2 THR 61 1HG2 THR 61 4.359 8.776 6.014 459 2HG2 THR 61 2HG2 THR 61 4.449 10.534 5.899 460 3HG2 THR 61 3HG2 THR 61 5.909 9.594 6.208 461 H THR 62 H THR 62 7.782 9.830 3.041 462 HA THR 62 HA THR 62 10.028 10.296 3.616 463 HB THR 62 HB THR 62 9.545 8.794 6.177 464 HG1 THR 62 HG1 THR 62 8.491 10.832 6.832 465 1HG2 THR 62 1HG2 THR 62 10.532 11.230 6.825 466 2HG2 THR 62 2HG2 THR 62 11.177 11.067 5.192 467 3HG2 THR 62 3HG2 THR 62 11.556 9.853 6.414 468 H ASP 63 H ASP 63 11.161 8.951 2.177 469 HA ASP 63 HA ASP 63 12.549 7.148 1.544 470 1HB ASP 63 2HB ASP 63 13.209 7.708 3.998 471 2HB ASP 63 1HB ASP 63 12.317 6.243 4.413 472 H ASP 64 H ASP 64 12.156 5.110 0.680 473 HA ASP 64 HA ASP 64 10.957 3.127 0.191 474 1HB ASP 64 2HB ASP 64 11.338 3.333 2.936 475 2HB ASP 64 1HB ASP 64 9.615 2.988 2.787 476 H CYS 65 H CYS 65 8.636 4.613 2.525 477 HA CYS 65 HA CYS 65 6.534 4.351 0.450 478 1HB CYS 65 2HB CYS 65 6.692 3.853 3.148 479 2HB CYS 65 1HB CYS 65 5.891 5.424 3.117 480 H ASN 66 HN ASN 66 8.759 6.605 0.850 481 HA ASN 66 HA ASN 66 7.388 9.058 1.384 482 1HB ASN 66 2HB ASN 66 9.952 8.205 0.869 483 2HB ASN 66 1HB ASN 66 9.569 9.099 -0.603 484 1HD2 ASN 66 1HD2 ASN 66 11.391 10.516 0.532 485 2HD2 ASN 66 2HD2 ASN 66 10.824 11.746 1.553 Start of MODEL 9 1 1H MET 1 1H MET 1 13.748 12.015 -2.532 2 2H MET 1 2H MET 1 15.012 10.972 -2.980 3 3H MET 1 3H MET 1 15.016 11.708 -1.448 4 HA MET 1 HA MET 1 14.302 9.276 -1.540 5 1HB MET 1 2HB MET 1 12.779 9.756 0.286 6 2HB MET 1 1HB MET 1 14.039 10.991 0.298 7 1HG MET 1 2HG MET 1 12.338 12.263 -1.292 8 2HG MET 1 1HG MET 1 11.160 11.228 -0.486 9 1HE MET 1 1HE MET 1 11.048 11.255 2.523 10 2HE MET 1 2HE MET 1 10.030 11.701 1.157 11 3HE MET 1 3HE MET 1 10.257 12.836 2.485 12 H LYS 2 H LYS 2 12.267 8.000 -1.739 13 HA LYS 2 HA LYS 2 10.102 9.131 -3.395 14 1HB LYS 2 2HB LYS 2 12.306 7.377 -4.375 15 2HB LYS 2 1HB LYS 2 10.682 7.018 -4.966 16 1HG LYS 2 2HG LYS 2 10.848 8.724 -6.420 17 2HG LYS 2 1HG LYS 2 11.007 9.843 -5.066 18 1HD LYS 2 2HD LYS 2 13.087 10.258 -5.854 19 2HD LYS 2 1HD LYS 2 13.515 8.676 -5.201 20 1HE LYS 2 2HE LYS 2 14.168 8.360 -7.409 21 2HE LYS 2 1HE LYS 2 12.467 7.872 -7.549 22 1HZ LYS 2 1HZ LYS 2 12.068 10.390 -7.828 23 2HZ LYS 2 2HZ LYS 2 12.642 9.504 -9.159 24 3HZ LYS 2 3HZ LYS 2 13.712 10.453 -8.243 25 H CYS 3 H CYS 3 8.832 6.853 -4.176 26 HA CYS 3 HA CYS 3 8.571 5.203 -1.683 27 1HB CYS 3 2HB CYS 3 6.831 6.990 -1.961 28 2HB CYS 3 1HB CYS 3 6.361 6.242 -3.486 29 H LYS 4 H LYS 4 9.156 3.147 -2.277 30 HA LYS 4 HA LYS 4 8.998 2.212 -5.034 31 1HB LYS 4 2HB LYS 4 10.813 1.476 -3.673 32 2HB LYS 4 1HB LYS 4 9.733 1.023 -2.355 33 1HG LYS 4 2HG LYS 4 8.753 -0.750 -3.771 34 2HG LYS 4 1HG LYS 4 9.854 -0.309 -5.076 35 1HD LYS 4 2HD LYS 4 11.666 -0.638 -3.131 36 2HD LYS 4 1HD LYS 4 10.421 -1.723 -2.512 37 1HE LYS 4 2HE LYS 4 10.365 -2.867 -4.743 38 2HE LYS 4 1HE LYS 4 11.725 -1.846 -5.254 39 1HZ LYS 4 1HZ LYS 4 11.774 -3.431 -2.750 40 2HZ LYS 4 2HZ LYS 4 13.080 -2.686 -3.543 41 3HZ LYS 4 3HZ LYS 4 12.338 -4.055 -4.224 42 H ILE 5 H ILE 5 7.014 1.662 -5.863 43 HA ILE 5 HA ILE 5 4.870 0.639 -4.106 44 HB ILE 5 HB ILE 5 4.904 1.017 -7.112 45 1HG1 ILE 5 2HG1 ILE 5 5.731 3.060 -5.913 46 2HG1 ILE 5 1HG1 ILE 5 4.190 3.318 -6.732 47 1HG2 ILE 5 1HG2 ILE 5 2.621 1.416 -5.176 48 2HG2 ILE 5 2HG2 ILE 5 2.987 -0.170 -5.854 49 3HG2 ILE 5 3HG2 ILE 5 2.547 1.163 -6.920 50 1HD1 ILE 5 1HD1 ILE 5 4.056 4.270 -4.495 51 2HD1 ILE 5 2HD1 ILE 5 4.591 2.748 -3.782 52 3HD1 ILE 5 3HD1 ILE 5 3.017 2.846 -4.572 53 H CYS 6 H CYS 6 4.359 -1.512 -3.941 54 HA CYS 6 HA CYS 6 4.932 -3.433 -6.071 55 1HB CYS 6 2HB CYS 6 7.087 -2.809 -4.650 56 2HB CYS 6 1HB CYS 6 6.379 -3.930 -3.488 57 H ASN 7 H ASN 7 5.204 -5.546 -3.884 58 HA ASN 7 HA ASN 7 2.638 -5.386 -2.439 59 1HB ASN 7 2HB ASN 7 3.183 -7.458 -4.591 60 2HB ASN 7 1HB ASN 7 1.731 -7.360 -3.595 61 1HD2 ASN 7 1HD2 ASN 7 3.119 -6.308 -6.540 62 2HD2 ASN 7 2HD2 ASN 7 1.986 -5.100 -6.913 63 H PHE 8 H PHE 8 2.772 -6.633 -0.574 64 HA PHE 8 HA PHE 8 5.303 -7.930 0.063 65 1HB PHE 8 2HB PHE 8 2.661 -7.388 1.383 66 2HB PHE 8 1HB PHE 8 3.769 -8.537 2.133 67 HD1 PHE 8 HD1 PHE 8 4.974 -7.565 3.868 68 HD2 PHE 8 HD2 PHE 8 4.207 -5.278 0.313 69 HE1 PHE 8 HE1 PHE 8 6.302 -5.684 4.791 70 HE2 PHE 8 HE2 PHE 8 5.536 -3.398 1.236 71 HZ PHE 8 HZ PHE 8 6.583 -3.602 3.475 72 H ASP 9 H ASP 9 5.708 -10.149 0.179 73 HA ASP 9 HA ASP 9 5.360 -12.467 -0.143 74 1HB ASP 9 2HB ASP 9 3.410 -11.749 1.407 75 2HB ASP 9 1HB ASP 9 2.413 -11.817 -0.046 76 H THR 10 H THR 10 4.921 -10.224 -2.361 77 HA THR 10 HA THR 10 4.734 -12.001 -4.594 78 HB THR 10 HB THR 10 2.465 -12.370 -3.900 79 HG1 THR 10 HG1 THR 10 2.669 -11.962 -6.111 80 1HG2 THR 10 1HG2 THR 10 0.977 -10.204 -3.756 81 2HG2 THR 10 2HG2 THR 10 2.517 -9.409 -3.425 82 3HG2 THR 10 3HG2 THR 10 1.945 -10.698 -2.366 83 H CYS 11 H CYS 11 6.492 -10.008 -4.297 84 HA CYS 11 HA CYS 11 5.631 -7.415 -5.262 85 1HB CYS 11 2HB CYS 11 7.965 -8.731 -4.262 86 2HB CYS 11 1HB CYS 11 8.398 -7.941 -5.777 87 H ARG 12 H ARG 12 4.487 -7.772 -7.257 88 HA ARG 12 HA ARG 12 5.940 -9.120 -9.468 89 1HB ARG 12 2HB ARG 12 3.146 -8.110 -8.954 90 2HB ARG 12 1HB ARG 12 3.654 -8.551 -10.584 91 1HG ARG 12 2HG ARG 12 4.504 -10.750 -9.423 92 2HG ARG 12 1HG ARG 12 3.360 -10.297 -8.158 93 1HD ARG 12 2HD ARG 12 2.758 -10.839 -11.081 94 2HD ARG 12 1HD ARG 12 2.106 -11.678 -9.659 95 HE ARG 12 HE ARG 12 1.322 -9.144 -9.133 96 1HH1 ARG 12 2HH1 ARG 12 -0.285 -11.394 -10.658 97 2HH1 ARG 12 1HH1 ARG 12 -0.991 -10.429 -11.911 98 1HH2 ARG 12 1HH2 ARG 12 1.080 -7.707 -11.350 99 2HH2 ARG 12 2HH2 ARG 12 -0.220 -8.342 -12.301 100 H ALA 13 H ALA 13 5.273 -5.965 -8.257 101 HA ALA 13 HA ALA 13 5.870 -4.677 -10.879 102 1HB ALA 13 1HB ALA 13 4.757 -3.802 -8.211 103 2HB ALA 13 2HB ALA 13 3.975 -3.756 -9.792 104 3HB ALA 13 3HB ALA 13 5.269 -2.619 -9.415 105 H GLY 14 H GLY 14 6.731 -3.654 -7.575 106 1HA GLY 14 2HA GLY 14 8.853 -3.256 -6.619 107 2HA GLY 14 1HA GLY 14 9.582 -4.083 -7.998 108 H GLU 15 H GLU 15 7.401 -1.273 -8.054 109 HA GLU 15 HA GLU 15 9.518 0.204 -9.567 110 1HB GLU 15 2HB GLU 15 6.532 0.674 -9.280 111 2HB GLU 15 1HB GLU 15 7.607 1.489 -10.416 112 1HG GLU 15 2HG GLU 15 8.160 -0.767 -11.394 113 2HG GLU 15 1HG GLU 15 6.899 -1.455 -10.371 114 H LEU 16 H LEU 16 8.908 2.782 -9.188 115 HA LEU 16 HA LEU 16 8.436 3.370 -6.343 116 1HB LEU 16 2HB LEU 16 10.748 2.748 -6.292 117 2HB LEU 16 1HB LEU 16 11.089 3.649 -7.769 118 HG LEU 16 HG LEU 16 10.019 5.585 -6.104 119 1HD1 LEU 16 1HD1 LEU 16 12.058 4.350 -4.359 120 2HD1 LEU 16 2HD1 LEU 16 10.505 3.515 -4.410 121 3HD1 LEU 16 3HD1 LEU 16 10.580 5.211 -3.932 122 1HD2 LEU 16 1HD2 LEU 16 12.530 6.160 -5.783 123 2HD2 LEU 16 2HD2 LEU 16 11.913 6.085 -7.434 124 3HD2 LEU 16 3HD2 LEU 16 12.837 4.734 -6.775 125 H LYS 17 H LYS 17 7.885 5.566 -6.030 126 HA LYS 17 HA LYS 17 8.070 7.409 -8.363 127 1HB LYS 17 2HB LYS 17 5.812 5.906 -7.737 128 2HB LYS 17 1HB LYS 17 5.481 7.467 -6.986 129 1HG LYS 17 2HG LYS 17 6.044 8.581 -9.151 130 2HG LYS 17 1HG LYS 17 6.232 6.988 -9.884 131 1HD LYS 17 2HD LYS 17 3.783 6.740 -8.683 132 2HD LYS 17 1HD LYS 17 3.770 8.440 -9.153 133 1HE LYS 17 2HE LYS 17 4.806 7.267 -11.413 134 2HE LYS 17 1HE LYS 17 3.656 6.035 -10.856 135 1HZ LYS 17 1HZ LYS 17 1.901 7.471 -10.973 136 2HZ LYS 17 2HZ LYS 17 2.838 8.082 -12.252 137 3HZ LYS 17 3HZ LYS 17 2.857 8.852 -10.739 138 H VAL 18 H VAL 18 6.149 9.204 -6.906 139 HA VAL 18 HA VAL 18 7.886 9.968 -4.586 140 HB VAL 18 HB VAL 18 7.246 12.343 -5.384 141 1HG1 VAL 18 1HG1 VAL 18 9.179 12.440 -6.735 142 2HG1 VAL 18 2HG1 VAL 18 8.920 10.815 -7.373 143 3HG1 VAL 18 3HG1 VAL 18 9.466 11.034 -5.710 144 1HG2 VAL 18 1HG2 VAL 18 5.478 11.244 -6.969 145 2HG2 VAL 18 2HG2 VAL 18 6.852 10.986 -8.043 146 3HG2 VAL 18 3HG2 VAL 18 6.407 12.623 -7.559 147 H CYS 19 H CYS 19 6.742 10.987 -2.832 148 HA CYS 19 HA CYS 19 3.851 11.435 -2.982 149 1HB CYS 19 2HB CYS 19 4.786 8.839 -2.578 150 2HB CYS 19 1HB CYS 19 4.401 9.403 -0.952 151 H ALA 20 H ALA 20 6.060 10.365 -0.372 152 HA ALA 20 HA ALA 20 5.136 12.333 1.506 153 1HB ALA 20 1HB ALA 20 7.803 10.895 1.439 154 2HB ALA 20 2HB ALA 20 6.298 10.107 1.911 155 3HB ALA 20 3HB ALA 20 6.925 11.454 2.862 156 H SER 21 H SER 21 5.335 14.240 -0.074 157 HA SER 21 HA SER 21 7.952 15.575 0.380 158 1HB SER 21 2HB SER 21 8.090 14.392 -1.786 159 2HB SER 21 1HB SER 21 6.615 15.194 -2.320 160 HG SER 21 HG SER 21 9.081 16.066 -2.527 161 H GLY 22 H GLY 22 5.040 15.871 1.244 162 1HA GLY 22 2HA GLY 22 4.070 17.981 1.953 163 2HA GLY 22 1HA GLY 22 4.826 18.760 0.563 164 H GLU 23 H GLU 23 3.601 15.889 -0.538 165 HA GLU 23 HA GLU 23 1.128 17.250 -1.529 166 1HB GLU 23 2HB GLU 23 2.715 16.566 -3.233 167 2HB GLU 23 1HB GLU 23 2.823 14.947 -2.543 168 1HG GLU 23 2HG GLU 23 1.314 14.627 -4.305 169 2HG GLU 23 1HG GLU 23 0.234 14.891 -2.936 170 H LYS 24 H LYS 24 1.879 13.784 -1.347 171 HA LYS 24 HA LYS 24 -0.335 13.411 0.622 172 1HB LYS 24 2HB LYS 24 -1.134 11.545 -0.932 173 2HB LYS 24 1HB LYS 24 -1.388 13.187 -1.523 174 1HG LYS 24 2HG LYS 24 0.852 12.959 -2.726 175 2HG LYS 24 1HG LYS 24 0.774 11.239 -2.343 176 1HD LYS 24 2HD LYS 24 -1.078 10.877 -3.711 177 2HD LYS 24 1HD LYS 24 -1.590 12.563 -3.633 178 1HE LYS 24 2HE LYS 24 1.045 12.445 -4.799 179 2HE LYS 24 1HE LYS 24 -0.043 11.349 -5.676 180 1HZ LYS 24 1HZ LYS 24 -0.069 13.835 -6.292 181 2HZ LYS 24 2HZ LYS 24 -0.956 14.031 -4.856 182 3HZ LYS 24 3HZ LYS 24 -1.552 13.036 -6.096 183 H TYR 25 H TYR 25 -0.399 10.875 1.109 184 HA TYR 25 HA TYR 25 2.429 10.042 1.611 185 1HB TYR 25 2HB TYR 25 -0.103 9.051 2.937 186 2HB TYR 25 1HB TYR 25 1.542 8.975 3.555 187 HD1 TYR 25 HD1 TYR 25 2.326 11.826 2.664 188 HD2 TYR 25 HD2 TYR 25 -1.059 10.265 4.799 189 HE1 TYR 25 HE1 TYR 25 2.012 14.023 3.771 190 HE2 TYR 25 HE2 TYR 25 -1.372 12.462 5.907 191 HH TYR 25 HH TYR 25 -0.224 15.219 4.874 192 H CYS 26 H CYS 26 2.803 7.647 1.532 193 HA CYS 26 HA CYS 26 1.531 6.466 -0.857 194 1HB CYS 26 2HB CYS 26 3.997 6.293 0.645 195 2HB CYS 26 1HB CYS 26 3.330 4.678 0.407 196 H PHE 27 H PHE 27 -0.493 5.591 -0.400 197 HA PHE 27 HA PHE 27 -0.879 4.142 2.169 198 1HB PHE 27 2HB PHE 27 -3.194 4.494 1.751 199 2HB PHE 27 1HB PHE 27 -2.408 5.969 1.191 200 HD1 PHE 27 HD1 PHE 27 -4.227 2.953 0.206 201 HD2 PHE 27 HD2 PHE 27 -2.072 6.379 -1.233 202 HE1 PHE 27 HE1 PHE 27 -5.160 2.585 -2.062 203 HE2 PHE 27 HE2 PHE 27 -3.005 6.011 -3.502 204 HZ PHE 27 HZ PHE 27 -4.549 4.115 -3.916 205 H LYS 28 H LYS 28 -0.801 1.951 2.214 206 HA LYS 28 HA LYS 28 -1.082 0.456 -0.370 207 1HB LYS 28 2HB LYS 28 0.482 -1.100 0.548 208 2HB LYS 28 1HB LYS 28 1.114 0.489 0.983 209 1HG LYS 28 2HG LYS 28 1.122 -0.219 3.125 210 2HG LYS 28 1HG LYS 28 -0.641 -0.148 3.064 211 1HD LYS 28 2HD LYS 28 -0.859 -2.432 2.684 212 2HD LYS 28 1HD LYS 28 0.748 -2.569 1.968 213 1HE LYS 28 2HE LYS 28 1.319 -1.723 4.542 214 2HE LYS 28 1HE LYS 28 -0.054 -2.822 4.782 215 1HZ LYS 28 1HZ LYS 28 1.122 -4.347 3.170 216 2HZ LYS 28 2HZ LYS 28 1.837 -4.199 4.705 217 3HZ LYS 28 3HZ LYS 28 2.495 -3.373 3.374 218 H GLU 29 H GLU 29 -2.244 -1.645 -0.171 219 HA GLU 29 HA GLU 29 -3.959 -1.881 2.265 220 1HB GLU 29 2HB GLU 29 -5.937 -2.046 0.811 221 2HB GLU 29 1HB GLU 29 -5.104 -0.517 0.533 222 1HG GLU 29 2HG GLU 29 -3.863 -2.294 -1.226 223 2HG GLU 29 1HG GLU 29 -5.572 -2.721 -1.314 224 H SER 30 H SER 30 -4.581 -4.015 2.723 225 HA SER 30 HA SER 30 -3.510 -6.131 0.880 226 1HB SER 30 2HB SER 30 -2.177 -6.598 2.656 227 2HB SER 30 1HB SER 30 -3.070 -5.489 3.691 228 HG SER 30 HG SER 30 -3.475 -7.446 4.547 229 H TRP 31 H TRP 31 -5.288 -7.097 -0.040 230 HA TRP 31 HA TRP 31 -7.872 -7.184 1.374 231 1HB TRP 31 2HB TRP 31 -7.007 -7.010 -1.248 232 2HB TRP 31 1HB TRP 31 -7.538 -8.687 -1.132 233 HD1 TRP 31 HD1 TRP 31 -9.998 -8.660 0.583 234 HE1 TRP 31 HE1 TRP 31 -12.133 -7.359 -0.044 235 HE3 TRP 31 HE3 TRP 31 -8.026 -5.234 -2.651 236 HZ2 TRP 31 HZ2 TRP 31 -12.903 -5.156 -1.698 237 HZ3 TRP 31 HZ3 TRP 31 -9.482 -3.547 -3.736 238 HH2 TRP 31 HH2 TRP 31 -11.915 -3.504 -3.265 239 H ARG 32 H ARG 32 -8.339 -8.853 2.751 240 HA ARG 32 HA ARG 32 -6.724 -11.320 2.713 241 1HB ARG 32 2HB ARG 32 -7.701 -9.858 4.696 242 2HB ARG 32 1HB ARG 32 -9.136 -10.851 4.437 243 1HG ARG 32 2HG ARG 32 -6.804 -12.537 4.405 244 2HG ARG 32 1HG ARG 32 -6.791 -11.553 5.869 245 1HD ARG 32 2HD ARG 32 -8.502 -12.740 6.769 246 2HD ARG 32 1HD ARG 32 -9.464 -12.588 5.284 247 HE ARG 32 HE ARG 32 -8.770 -14.794 4.827 248 1HH1 ARG 32 1HH2 ARG 32 -7.329 -14.906 7.540 249 2HH1 ARG 32 2HH2 ARG 32 -5.737 -15.368 7.039 250 1HH2 ARG 32 2HH1 ARG 32 -6.272 -14.584 3.703 251 2HH2 ARG 32 1HH1 ARG 32 -5.139 -15.188 4.865 252 H GLU 33 H GLU 33 -7.315 -12.807 1.162 253 HA GLU 33 HA GLU 33 -10.213 -13.155 0.530 254 1HB GLU 33 2HB GLU 33 -7.994 -12.845 -1.037 255 2HB GLU 33 1HB GLU 33 -8.119 -14.604 -0.982 256 1HG GLU 33 2HG GLU 33 -10.339 -14.572 -1.862 257 2HG GLU 33 1HG GLU 33 -10.485 -12.832 -1.616 258 H ALA 34 H ALA 34 -10.864 -15.506 0.143 259 HA ALA 34 HA ALA 34 -10.228 -17.106 2.488 260 1HB ALA 34 1HB ALA 34 -12.415 -17.370 1.771 261 2HB ALA 34 2HB ALA 34 -11.678 -18.740 0.939 262 3HB ALA 34 3HB ALA 34 -11.978 -17.237 0.067 263 H ARG 35 H ARG 35 -8.852 -16.803 -0.655 264 HA ARG 35 HA ARG 35 -7.383 -19.394 -0.267 265 1HB ARG 35 2HB ARG 35 -9.080 -19.251 -2.149 266 2HB ARG 35 1HB ARG 35 -8.062 -18.006 -2.875 267 1HG ARG 35 2HG ARG 35 -6.176 -19.867 -2.451 268 2HG ARG 35 1HG ARG 35 -7.573 -20.934 -2.607 269 1HD ARG 35 2HD ARG 35 -8.119 -19.961 -4.790 270 2HD ARG 35 1HD ARG 35 -6.777 -18.810 -4.633 271 HE ARG 35 HE ARG 35 -6.457 -21.473 -5.533 272 1HH1 ARG 35 2HH1 ARG 35 -5.548 -21.825 -2.673 273 2HH1 ARG 35 1HH1 ARG 35 -3.855 -21.485 -2.800 274 1HH2 ARG 35 1HH2 ARG 35 -4.123 -19.960 -5.903 275 2HH2 ARG 35 2HH2 ARG 35 -3.048 -20.428 -4.628 276 H GLY 36 H GLY 36 -6.571 -16.756 0.738 277 1HA GLY 36 2HA GLY 36 -4.044 -16.360 0.714 278 2HA GLY 36 1HA GLY 36 -4.223 -16.217 -1.035 279 H THR 37 H THR 37 -3.165 -14.121 0.540 280 HA THR 37 HA THR 37 -5.383 -12.100 0.464 281 HB THR 37 HB THR 37 -4.443 -12.527 2.691 282 HG1 THR 37 HG1 THR 37 -4.953 -10.385 2.212 283 1HG2 THR 37 1HG2 THR 37 -2.020 -12.772 1.202 284 2HG2 THR 37 2HG2 THR 37 -2.279 -13.082 2.919 285 3HG2 THR 37 3HG2 THR 37 -1.808 -11.472 2.375 286 H ARG 38 H ARG 38 -4.964 -10.148 -0.647 287 HA ARG 38 HA ARG 38 -2.476 -10.134 -2.320 288 1HB ARG 38 2HB ARG 38 -5.217 -10.029 -2.933 289 2HB ARG 38 1HB ARG 38 -4.633 -8.381 -3.170 290 1HG ARG 38 2HG ARG 38 -2.892 -10.538 -4.231 291 2HG ARG 38 1HG ARG 38 -4.429 -10.304 -5.066 292 1HD ARG 38 2HD ARG 38 -3.684 -8.394 -6.035 293 2HD ARG 38 1HD ARG 38 -3.141 -7.751 -4.472 294 HE ARG 38 HE ARG 38 -1.016 -8.879 -4.785 295 1HH1 ARG 38 2HH1 ARG 38 -2.327 -7.870 -7.596 296 2HH1 ARG 38 1HH1 ARG 38 -1.573 -9.040 -8.627 297 1HH2 ARG 38 1HH2 ARG 38 -0.438 -11.008 -6.007 298 2HH2 ARG 38 2HH2 ARG 38 -0.506 -10.818 -7.728 299 H ILE 39 H ILE 39 -1.642 -7.911 -2.820 300 HA ILE 39 HA ILE 39 -2.337 -5.873 -0.744 301 HB ILE 39 HB ILE 39 0.392 -6.979 -1.473 302 1HG1 ILE 39 2HG1 ILE 39 -0.313 -6.831 1.342 303 2HG1 ILE 39 1HG1 ILE 39 -1.513 -7.759 0.442 304 1HG2 ILE 39 1HG2 ILE 39 1.183 -4.931 -0.944 305 2HG2 ILE 39 2HG2 ILE 39 0.641 -5.245 0.705 306 3HG2 ILE 39 3HG2 ILE 39 -0.409 -4.382 -0.420 307 1HD1 ILE 39 1HD1 ILE 39 1.119 -8.564 1.234 308 2HD1 ILE 39 2HD1 ILE 39 1.055 -8.519 -0.529 309 3HD1 ILE 39 3HD1 ILE 39 -0.098 -9.504 0.370 310 H GLU 40 H GLU 40 -1.858 -3.697 -1.413 311 HA GLU 40 HA GLU 40 -0.804 -3.285 -4.160 312 1HB GLU 40 2HB GLU 40 -3.382 -3.734 -3.997 313 2HB GLU 40 1HB GLU 40 -3.452 -2.090 -3.365 314 1HG GLU 40 2HG GLU 40 -1.946 -1.549 -5.469 315 2HG GLU 40 1HG GLU 40 -2.656 -3.037 -6.096 316 H ARG 41 H ARG 41 -0.281 -0.998 -4.540 317 HA ARG 41 HA ARG 41 -0.278 0.695 -2.065 318 1HB ARG 41 2HB ARG 41 1.982 0.073 -3.993 319 2HB ARG 41 1HB ARG 41 2.069 1.325 -2.754 320 1HG ARG 41 2HG ARG 41 1.350 -0.597 -1.128 321 2HG ARG 41 1HG ARG 41 1.924 -1.658 -2.414 322 1HD ARG 41 2HD ARG 41 3.856 -1.341 -1.083 323 2HD ARG 41 1HD ARG 41 4.063 -0.128 -2.362 324 HE ARG 41 HE ARG 41 3.257 1.578 -0.810 325 1HH1 ARG 41 2HH1 ARG 41 2.748 -1.495 0.540 326 2HH1 ARG 41 1HH1 ARG 41 3.141 -1.022 2.159 327 1HH2 ARG 41 1HH2 ARG 41 4.162 2.169 1.262 328 2HH2 ARG 41 2HH2 ARG 41 3.943 1.052 2.568 329 H GLY 42 H GLY 42 0.706 2.998 -2.919 330 1HA GLY 42 2HA GLY 42 0.303 3.934 -5.518 331 2HA GLY 42 1HA GLY 42 -1.284 4.019 -4.752 332 H CYS 43 H CYS 43 -1.209 6.352 -4.859 333 HA CYS 43 HA CYS 43 0.465 7.545 -2.684 334 1HB CYS 43 2HB CYS 43 0.522 7.990 -5.578 335 2HB CYS 43 1HB CYS 43 0.291 9.485 -4.671 336 H ALA 44 H ALA 44 -1.159 8.125 -1.256 337 HA ALA 44 HA ALA 44 -3.118 10.142 -2.126 338 1HB ALA 44 1HB ALA 44 -3.893 7.669 -2.609 339 2HB ALA 44 2HB ALA 44 -5.032 8.810 -1.893 340 3HB ALA 44 3HB ALA 44 -4.204 7.633 -0.874 341 H ALA 45 H ALA 45 -4.822 10.051 0.060 342 HA ALA 45 HA ALA 45 -3.217 9.840 2.533 343 1HB ALA 45 1HB ALA 45 -3.573 12.270 0.982 344 2HB ALA 45 2HB ALA 45 -2.553 11.997 2.394 345 3HB ALA 45 3HB ALA 45 -4.242 12.457 2.603 346 H THR 46 H THR 46 -5.921 9.029 1.168 347 HA THR 46 HA THR 46 -7.906 10.157 3.036 348 HB THR 46 HB THR 46 -8.274 7.890 1.075 349 HG1 THR 46 HG1 THR 46 -7.801 10.614 0.622 350 1HG2 THR 46 1HG2 THR 46 -10.168 10.164 1.491 351 2HG2 THR 46 2HG2 THR 46 -10.045 8.943 2.758 352 3HG2 THR 46 3HG2 THR 46 -10.509 8.472 1.121 353 H CYS 47 H CYS 47 -5.894 7.328 2.755 354 HA CYS 47 HA CYS 47 -5.913 5.261 3.916 355 1HB CYS 47 2HB CYS 47 -6.382 7.221 6.171 356 2HB CYS 47 1HB CYS 47 -5.402 5.761 6.186 357 HA PRO 48 HA PRO 48 -10.456 4.882 4.412 358 1HB PRO 48 2HB PRO 48 -10.628 2.474 3.125 359 2HB PRO 48 1HB PRO 48 -10.649 4.030 2.270 360 1HG PRO 48 2HG PRO 48 -8.419 2.093 2.620 361 2HG PRO 48 1HG PRO 48 -8.844 3.085 1.218 362 1HD PRO 48 2HD PRO 48 -6.821 3.692 2.956 363 2HD PRO 48 1HD PRO 48 -7.698 4.903 1.994 364 H LYS 49 H LYS 49 -11.408 2.282 4.870 365 HA LYS 49 HA LYS 49 -9.685 1.199 7.063 366 1HB LYS 49 2HB LYS 49 -11.644 1.227 8.543 367 2HB LYS 49 1HB LYS 49 -11.339 2.852 7.932 368 1HG LYS 49 2HG LYS 49 -12.987 1.896 5.988 369 2HG LYS 49 1HG LYS 49 -13.610 1.032 7.394 370 1HD LYS 49 2HD LYS 49 -13.058 3.980 7.591 371 2HD LYS 49 1HD LYS 49 -14.549 3.420 6.833 372 1HE LYS 49 2HE LYS 49 -15.234 2.266 8.836 373 2HE LYS 49 1HE LYS 49 -13.648 2.520 9.590 374 1HZ LYS 49 1HZ LYS 49 -14.069 4.690 9.978 375 2HZ LYS 49 2HZ LYS 49 -15.691 4.186 9.936 376 3HZ LYS 49 3HZ LYS 49 -14.982 4.891 8.562 377 H GLY 50 H GLY 50 -11.371 -0.759 7.991 378 1HA GLY 50 2HA GLY 50 -12.652 -2.220 5.818 379 2HA GLY 50 1HA GLY 50 -11.100 -2.916 6.286 380 H SER 51 H SER 51 -12.235 -4.824 7.060 381 HA SER 51 HA SER 51 -12.705 -4.916 9.846 382 1HB SER 51 2HB SER 51 -14.633 -3.653 9.796 383 2HB SER 51 1HB SER 51 -14.981 -4.069 8.120 384 HG SER 51 HG SER 51 -16.403 -5.321 9.077 385 H VAL 52 H VAL 52 -15.141 -6.329 7.749 386 HA VAL 52 HA VAL 52 -14.116 -9.030 8.383 387 HB VAL 52 HB VAL 52 -16.578 -7.948 6.976 388 1HG1 VAL 52 1HG1 VAL 52 -15.824 -10.260 6.228 389 2HG1 VAL 52 2HG1 VAL 52 -17.435 -10.190 6.942 390 3HG1 VAL 52 3HG1 VAL 52 -16.074 -10.790 7.891 391 1HG2 VAL 52 1HG2 VAL 52 -15.832 -8.556 9.761 392 2HG2 VAL 52 2HG2 VAL 52 -17.355 -9.289 9.255 393 3HG2 VAL 52 3HG2 VAL 52 -17.138 -7.542 9.143 394 H TYR 53 H TYR 53 -14.554 -6.905 5.573 395 HA TYR 53 HA TYR 53 -14.028 -8.780 3.498 396 1HB TYR 53 2HB TYR 53 -13.211 -5.860 3.644 397 2HB TYR 53 1HB TYR 53 -13.587 -6.785 2.190 398 HD1 TYR 53 HD1 TYR 53 -15.984 -8.075 2.398 399 HD2 TYR 53 HD2 TYR 53 -14.886 -4.435 4.397 400 HE1 TYR 53 HE1 TYR 53 -18.380 -7.482 2.635 401 HE2 TYR 53 HE2 TYR 53 -17.281 -3.841 4.635 402 HH TYR 53 HH TYR 53 -19.678 -5.797 4.515 403 H GLY 54 H GLY 54 -11.910 -7.325 5.854 404 1HA GLY 54 2HA GLY 54 -9.667 -7.916 6.333 405 2HA GLY 54 1HA GLY 54 -9.680 -8.973 4.920 406 H LEU 55 H LEU 55 -10.225 -5.458 5.320 407 HA LEU 55 HA LEU 55 -8.353 -5.006 3.039 408 1HB LEU 55 2HB LEU 55 -10.782 -3.758 4.174 409 2HB LEU 55 1HB LEU 55 -9.565 -2.615 3.604 410 HG LEU 55 HG LEU 55 -11.163 -3.233 1.808 411 1HD1 LEU 55 1HD1 LEU 55 -8.493 -4.491 1.186 412 2HD1 LEU 55 2HD1 LEU 55 -8.645 -2.754 1.451 413 3HD1 LEU 55 3HD1 LEU 55 -9.522 -3.526 0.130 414 1HD2 LEU 55 1HD2 LEU 55 -11.128 -5.717 2.904 415 2HD2 LEU 55 2HD2 LEU 55 -9.994 -5.953 1.575 416 3HD2 LEU 55 3HD2 LEU 55 -11.638 -5.403 1.245 417 H TYR 56 H TYR 56 -6.429 -5.311 4.460 418 HA TYR 56 HA TYR 56 -6.011 -3.478 6.708 419 1HB TYR 56 2HB TYR 56 -5.050 -5.718 6.685 420 2HB TYR 56 1HB TYR 56 -4.231 -5.388 5.158 421 HD1 TYR 56 HD1 TYR 56 -1.950 -5.650 5.867 422 HD2 TYR 56 HD2 TYR 56 -4.592 -2.996 7.971 423 HE1 TYR 56 HE1 TYR 56 -0.019 -4.708 7.105 424 HE2 TYR 56 HE2 TYR 56 -2.661 -2.056 9.210 425 HH TYR 56 HH TYR 56 0.554 -2.605 8.294 426 H VAL 57 H VAL 57 -6.109 -1.342 5.832 427 HA VAL 57 HA VAL 57 -4.096 -0.697 3.714 428 HB VAL 57 HB VAL 57 -6.512 0.853 4.697 429 1HG1 VAL 57 1HG1 VAL 57 -5.171 2.424 3.615 430 2HG1 VAL 57 2HG1 VAL 57 -6.128 1.808 2.267 431 3HG1 VAL 57 3HG1 VAL 57 -4.481 1.228 2.518 432 1HG2 VAL 57 1HG2 VAL 57 -6.289 -1.479 2.992 433 2HG2 VAL 57 2HG2 VAL 57 -6.905 -0.107 2.072 434 3HG2 VAL 57 3HG2 VAL 57 -7.742 -0.636 3.531 435 H LEU 58 H LEU 58 -2.710 1.129 4.047 436 HA LEU 58 HA LEU 58 -2.778 2.597 6.595 437 1HB LEU 58 2HB LEU 58 -1.546 0.138 6.545 438 2HB LEU 58 1HB LEU 58 -0.201 1.219 6.183 439 HG LEU 58 HG LEU 58 -0.994 2.628 8.172 440 1HD1 LEU 58 1HD1 LEU 58 -2.831 0.295 8.288 441 2HD1 LEU 58 2HD1 LEU 58 -3.081 1.952 8.835 442 3HD1 LEU 58 3HD1 LEU 58 -2.151 0.828 9.825 443 1HD2 LEU 58 1HD2 LEU 58 0.531 1.528 9.487 444 2HD2 LEU 58 2HD2 LEU 58 0.835 0.641 7.993 445 3HD2 LEU 58 3HD2 LEU 58 -0.224 -0.044 9.227 446 H CYS 59 H CYS 59 -1.696 4.568 6.358 447 HA CYS 59 HA CYS 59 -0.388 5.041 3.712 448 1HB CYS 59 2HB CYS 59 -1.476 6.981 5.776 449 2HB CYS 59 1HB CYS 59 -1.002 7.366 4.122 450 H CYS 60 H CYS 60 1.735 5.734 3.618 451 HA CYS 60 HA CYS 60 3.155 6.212 6.222 452 1HB CYS 60 2HB CYS 60 3.475 3.998 4.828 453 2HB CYS 60 1HB CYS 60 4.440 5.028 3.781 454 H THR 61 H THR 61 5.167 7.556 5.902 455 HA THR 61 HA THR 61 5.407 9.099 3.432 456 HB THR 61 HB THR 61 3.486 10.144 4.562 457 HG1 THR 61 HG1 THR 61 5.160 11.431 3.514 458 1HG2 THR 61 1HG2 THR 61 3.454 10.025 6.812 459 2HG2 THR 61 2HG2 THR 61 4.599 11.366 6.811 460 3HG2 THR 61 3HG2 THR 61 5.187 9.706 6.882 461 H THR 62 H THR 62 7.421 7.592 4.397 462 HA THR 62 HA THR 62 9.438 9.564 5.173 463 HB THR 62 HB THR 62 8.472 7.428 7.095 464 HG1 THR 62 HG1 THR 62 7.663 9.065 8.166 465 1HG2 THR 62 1HG2 THR 62 10.550 9.311 7.982 466 2HG2 THR 62 2HG2 THR 62 11.092 8.181 6.742 467 3HG2 THR 62 3HG2 THR 62 10.415 7.574 8.254 468 H ASP 63 H ASP 63 10.502 8.723 3.271 469 HA ASP 63 HA ASP 63 12.022 7.304 2.152 470 1HB ASP 63 2HB ASP 63 12.601 7.387 4.849 471 2HB ASP 63 1HB ASP 63 12.515 5.653 4.534 472 H ASP 64 H ASP 64 11.934 5.363 1.014 473 HA ASP 64 HA ASP 64 11.015 3.326 0.238 474 1HB ASP 64 2HB ASP 64 11.084 3.230 3.209 475 2HB ASP 64 1HB ASP 64 10.144 1.973 2.402 476 H CYS 65 H CYS 65 8.781 3.881 3.016 477 HA CYS 65 HA CYS 65 6.494 3.467 1.209 478 1HB CYS 65 2HB CYS 65 5.286 3.486 3.377 479 2HB CYS 65 1HB CYS 65 6.682 2.414 3.436 480 H ASN 66 HN ASN 66 8.319 6.012 1.328 481 HA ASN 66 HA ASN 66 7.156 8.288 2.342 482 1HB ASN 66 2HB ASN 66 8.658 7.527 -0.080 483 2HB ASN 66 1HB ASN 66 7.774 9.047 -0.231 484 1HD2 ASN 66 1HD2 ASN 66 10.666 8.924 -0.102 485 2HD2 ASN 66 2HD2 ASN 66 11.152 9.687 1.335 Start of MODEL 10 1 1H MET 1 1H MET 1 12.881 11.462 -3.320 2 2H MET 1 2H MET 1 14.207 10.981 -2.372 3 3H MET 1 3H MET 1 13.179 12.221 -1.832 4 HA MET 1 HA MET 1 12.975 9.523 -1.239 5 1HB MET 1 2HB MET 1 11.612 12.119 -0.799 6 2HB MET 1 1HB MET 1 10.631 10.693 -0.459 7 1HG MET 1 2HG MET 1 12.065 9.943 1.225 8 2HG MET 1 1HG MET 1 13.444 10.837 0.585 9 1HE MET 1 1HE MET 1 11.319 10.883 3.730 10 2HE MET 1 2HE MET 1 10.279 10.643 2.330 11 3HE MET 1 3HE MET 1 10.091 12.088 3.320 12 H LYS 2 H LYS 2 11.833 7.854 -2.152 13 HA LYS 2 HA LYS 2 9.639 8.525 -4.084 14 1HB LYS 2 2HB LYS 2 12.002 6.653 -4.343 15 2HB LYS 2 1HB LYS 2 10.582 6.511 -5.379 16 1HG LYS 2 2HG LYS 2 11.070 8.418 -6.540 17 2HG LYS 2 1HG LYS 2 11.714 9.240 -5.118 18 1HD LYS 2 2HD LYS 2 13.328 6.932 -5.942 19 2HD LYS 2 1HD LYS 2 13.235 8.190 -7.176 20 1HE LYS 2 2HE LYS 2 13.659 9.746 -5.000 21 2HE LYS 2 1HE LYS 2 14.515 8.278 -4.492 22 1HZ LYS 2 1HZ LYS 2 16.136 8.795 -5.900 23 2HZ LYS 2 2HZ LYS 2 15.288 10.163 -6.444 24 3HZ LYS 2 3HZ LYS 2 15.053 8.659 -7.199 25 H CYS 3 H CYS 3 8.410 6.329 -4.578 26 HA CYS 3 HA CYS 3 8.179 4.743 -2.042 27 1HB CYS 3 2HB CYS 3 6.457 6.584 -2.409 28 2HB CYS 3 1HB CYS 3 5.897 5.672 -3.809 29 H LYS 4 H LYS 4 8.724 2.672 -2.601 30 HA LYS 4 HA LYS 4 8.450 1.689 -5.349 31 1HB LYS 4 2HB LYS 4 9.603 -0.234 -4.455 32 2HB LYS 4 1HB LYS 4 10.309 1.190 -3.689 33 1HG LYS 4 2HG LYS 4 9.938 -0.105 -1.813 34 2HG LYS 4 1HG LYS 4 8.390 0.736 -1.899 35 1HD LYS 4 2HD LYS 4 7.338 -1.238 -2.120 36 2HD LYS 4 1HD LYS 4 8.228 -1.534 -3.614 37 1HE LYS 4 2HE LYS 4 9.252 -2.171 -0.821 38 2HE LYS 4 1HE LYS 4 8.640 -3.358 -1.992 39 1HZ LYS 4 1HZ LYS 4 11.109 -1.797 -2.051 40 2HZ LYS 4 2HZ LYS 4 10.326 -2.056 -3.536 41 3HZ LYS 4 3HZ LYS 4 10.819 -3.378 -2.590 42 H ILE 5 H ILE 5 6.718 0.522 -6.120 43 HA ILE 5 HA ILE 5 4.686 -0.430 -4.125 44 HB ILE 5 HB ILE 5 4.226 0.354 -7.012 45 1HG1 ILE 5 2HG1 ILE 5 5.225 2.279 -5.881 46 2HG1 ILE 5 1HG1 ILE 5 3.498 2.565 -6.102 47 1HG2 ILE 5 1HG2 ILE 5 2.534 -0.228 -4.603 48 2HG2 ILE 5 2HG2 ILE 5 2.316 -0.753 -6.273 49 3HG2 ILE 5 3HG2 ILE 5 1.935 0.907 -5.813 50 1HD1 ILE 5 1HD1 ILE 5 3.019 2.093 -3.822 51 2HD1 ILE 5 2HD1 ILE 5 4.467 3.099 -3.781 52 3HD1 ILE 5 3HD1 ILE 5 4.599 1.354 -3.563 53 H CYS 6 H CYS 6 3.897 -2.539 -4.402 54 HA CYS 6 HA CYS 6 4.116 -4.152 -6.735 55 1HB CYS 6 2HB CYS 6 6.583 -3.578 -5.581 56 2HB CYS 6 1HB CYS 6 6.206 -5.183 -4.960 57 H ASN 7 H ASN 7 3.161 -6.195 -6.354 58 HA ASN 7 HA ASN 7 1.472 -6.587 -4.148 59 1HB ASN 7 2HB ASN 7 2.874 -8.543 -5.994 60 2HB ASN 7 1HB ASN 7 1.540 -8.991 -4.931 61 1HD2 ASN 7 1HD2 ASN 7 -0.583 -7.895 -5.332 62 2HD2 ASN 7 2HD2 ASN 7 -0.931 -7.286 -6.878 63 H PHE 8 H PHE 8 2.109 -6.706 -2.026 64 HA PHE 8 HA PHE 8 4.722 -7.315 -1.087 65 1HB PHE 8 2HB PHE 8 2.095 -6.710 -0.090 66 2HB PHE 8 1HB PHE 8 2.772 -8.034 0.859 67 HD1 PHE 8 HD1 PHE 8 4.875 -7.751 2.106 68 HD2 PHE 8 HD2 PHE 8 3.115 -4.505 -0.088 69 HE1 PHE 8 HE1 PHE 8 6.342 -6.149 3.301 70 HE2 PHE 8 HE2 PHE 8 4.583 -2.902 1.107 71 HZ PHE 8 HZ PHE 8 6.196 -3.723 2.802 72 H ASP 9 H ASP 9 5.466 -9.253 0.039 73 HA ASP 9 HA ASP 9 5.643 -11.588 0.409 74 1HB ASP 9 2HB ASP 9 2.918 -10.977 0.379 75 2HB ASP 9 1HB ASP 9 3.069 -12.312 -0.764 76 H THR 10 H THR 10 5.371 -10.060 -2.528 77 HA THR 10 HA THR 10 6.795 -12.074 -3.986 78 HB THR 10 HB THR 10 4.660 -13.268 -3.796 79 HG1 THR 10 HG1 THR 10 4.363 -13.618 -5.968 80 1HG2 THR 10 1HG2 THR 10 2.896 -11.846 -3.520 81 2HG2 THR 10 2HG2 THR 10 2.794 -11.967 -5.276 82 3HG2 THR 10 3HG2 THR 10 3.617 -10.596 -4.534 83 H CYS 11 H CYS 11 7.208 -9.346 -3.774 84 HA CYS 11 HA CYS 11 7.344 -8.485 -6.504 85 1HB CYS 11 2HB CYS 11 4.804 -8.403 -5.640 86 2HB CYS 11 1HB CYS 11 5.335 -6.837 -5.030 87 H ARG 12 H ARG 12 9.276 -7.424 -6.248 88 HA ARG 12 HA ARG 12 9.825 -5.858 -3.802 89 1HB ARG 12 2HB ARG 12 11.493 -6.284 -6.300 90 2HB ARG 12 1HB ARG 12 12.073 -5.811 -4.702 91 1HG ARG 12 2HG ARG 12 10.735 -8.113 -4.102 92 2HG ARG 12 1HG ARG 12 11.328 -8.485 -5.720 93 1HD ARG 12 2HD ARG 12 12.956 -7.696 -3.287 94 2HD ARG 12 1HD ARG 12 13.091 -9.173 -4.263 95 HE ARG 12 HE ARG 12 13.755 -6.448 -5.320 96 1HH1 ARG 12 1HH2 ARG 12 13.429 -9.647 -6.231 97 2HH1 ARG 12 2HH2 ARG 12 15.012 -9.804 -6.916 98 1HH2 ARG 12 2HH1 ARG 12 16.115 -6.733 -5.744 99 2HH2 ARG 12 1HH1 ARG 12 16.533 -8.155 -6.640 100 H ALA 13 H ALA 13 11.563 -3.973 -5.293 101 HA ALA 13 HA ALA 13 9.696 -1.822 -5.678 102 1HB ALA 13 1HB ALA 13 11.652 -0.698 -5.535 103 2HB ALA 13 2HB ALA 13 12.240 -1.454 -7.015 104 3HB ALA 13 3HB ALA 13 12.479 -2.254 -5.462 105 H GLY 14 H GLY 14 8.383 -3.380 -7.269 106 1HA GLY 14 2HA GLY 14 9.421 -3.517 -9.997 107 2HA GLY 14 1HA GLY 14 7.796 -3.973 -9.484 108 H GLU 15 H GLU 15 7.060 -1.518 -8.240 109 HA GLU 15 HA GLU 15 7.135 0.399 -10.547 110 1HB GLU 15 2HB GLU 15 4.898 -0.938 -9.114 111 2HB GLU 15 1HB GLU 15 4.658 0.762 -9.513 112 1HG GLU 15 2HG GLU 15 4.679 0.379 -11.784 113 2HG GLU 15 1HG GLU 15 5.767 -1.003 -11.647 114 H LEU 16 H LEU 16 8.760 1.592 -9.277 115 HA LEU 16 HA LEU 16 7.780 2.764 -6.716 116 1HB LEU 16 2HB LEU 16 9.958 1.762 -6.619 117 2HB LEU 16 1HB LEU 16 10.461 2.563 -8.107 118 HG LEU 16 HG LEU 16 9.535 4.335 -5.908 119 1HD1 LEU 16 1HD1 LEU 16 12.199 4.069 -5.294 120 2HD1 LEU 16 2HD1 LEU 16 11.740 2.397 -5.620 121 3HD1 LEU 16 3HD1 LEU 16 10.886 3.322 -4.385 122 1HD2 LEU 16 1HD2 LEU 16 11.842 5.368 -6.803 123 2HD2 LEU 16 2HD2 LEU 16 10.331 5.574 -7.687 124 3HD2 LEU 16 3HD2 LEU 16 11.476 4.328 -8.179 125 H LYS 17 H LYS 17 7.392 4.968 -6.531 126 HA LYS 17 HA LYS 17 8.068 6.736 -8.840 127 1HB LYS 17 2HB LYS 17 5.663 5.634 -8.729 128 2HB LYS 17 1HB LYS 17 5.375 6.882 -7.516 129 1HG LYS 17 2HG LYS 17 4.928 8.273 -9.238 130 2HG LYS 17 1HG LYS 17 6.659 8.250 -9.573 131 1HD LYS 17 2HD LYS 17 6.128 6.047 -10.873 132 2HD LYS 17 1HD LYS 17 4.468 6.643 -10.864 133 1HE LYS 17 2HE LYS 17 4.942 8.378 -12.306 134 2HE LYS 17 1HE LYS 17 6.589 8.584 -11.676 135 1HZ LYS 17 1HZ LYS 17 7.057 7.508 -13.617 136 2HZ LYS 17 2HZ LYS 17 5.581 6.667 -13.650 137 3HZ LYS 17 3HZ LYS 17 6.829 6.158 -12.616 138 H VAL 18 H VAL 18 6.214 8.733 -7.422 139 HA VAL 18 HA VAL 18 7.958 9.324 -5.062 140 HB VAL 18 HB VAL 18 7.635 11.752 -5.890 141 1HG1 VAL 18 1HG1 VAL 18 9.667 11.615 -6.991 142 2HG1 VAL 18 2HG1 VAL 18 9.199 10.173 -7.891 143 3HG1 VAL 18 3HG1 VAL 18 9.653 10.042 -6.192 144 1HG2 VAL 18 1HG2 VAL 18 6.881 12.127 -8.064 145 2HG2 VAL 18 2HG2 VAL 18 5.831 10.801 -7.567 146 3HG2 VAL 18 3HG2 VAL 18 7.239 10.479 -8.580 147 H CYS 19 H CYS 19 6.858 10.215 -3.288 148 HA CYS 19 HA CYS 19 4.198 11.346 -3.442 149 1HB CYS 19 2HB CYS 19 3.733 8.966 -3.960 150 2HB CYS 19 1HB CYS 19 4.509 8.492 -2.450 151 H ALA 20 H ALA 20 6.533 12.225 -2.175 152 HA ALA 20 HA ALA 20 5.781 11.956 0.714 153 1HB ALA 20 1HB ALA 20 8.047 10.917 -0.571 154 2HB ALA 20 2HB ALA 20 7.830 11.106 1.169 155 3HB ALA 20 3HB ALA 20 8.623 12.375 0.236 156 H SER 21 H SER 21 5.580 14.053 -1.635 157 HA SER 21 HA SER 21 7.189 16.304 -1.144 158 1HB SER 21 2HB SER 21 4.230 16.520 -1.649 159 2HB SER 21 1HB SER 21 5.543 17.441 -2.377 160 HG SER 21 HG SER 21 6.166 15.175 -3.154 161 H GLY 22 H GLY 22 3.859 15.979 0.140 162 1HA GLY 22 2HA GLY 22 4.731 16.787 2.821 163 2HA GLY 22 1HA GLY 22 3.779 18.005 1.970 164 H GLU 23 H GLU 23 1.655 17.156 1.035 165 HA GLU 23 HA GLU 23 0.288 15.564 3.129 166 1HB GLU 23 2HB GLU 23 -0.398 17.493 0.959 167 2HB GLU 23 1HB GLU 23 -1.641 16.323 1.405 168 1HG GLU 23 2HG GLU 23 -2.123 17.973 2.944 169 2HG GLU 23 1HG GLU 23 -0.927 17.065 3.870 170 H LYS 24 H LYS 24 2.021 13.955 1.628 171 HA LYS 24 HA LYS 24 0.091 12.359 -0.026 172 1HB LYS 24 2HB LYS 24 2.725 13.553 -0.632 173 2HB LYS 24 1HB LYS 24 2.552 11.871 -1.134 174 1HG LYS 24 2HG LYS 24 1.302 12.508 -2.889 175 2HG LYS 24 1HG LYS 24 0.137 13.259 -1.796 176 1HD LYS 24 2HD LYS 24 0.769 15.198 -2.797 177 2HD LYS 24 1HD LYS 24 2.181 15.083 -1.746 178 1HE LYS 24 2HE LYS 24 3.549 14.227 -3.465 179 2HE LYS 24 1HE LYS 24 2.156 13.703 -4.433 180 1HZ LYS 24 1HZ LYS 24 2.262 16.525 -3.733 181 2HZ LYS 24 2HZ LYS 24 1.756 15.783 -5.175 182 3HZ LYS 24 3HZ LYS 24 3.413 16.001 -4.864 183 H TYR 25 H TYR 25 -0.172 10.401 0.974 184 HA TYR 25 HA TYR 25 2.190 9.194 2.379 185 1HB TYR 25 2HB TYR 25 -0.784 9.137 2.995 186 2HB TYR 25 1HB TYR 25 0.429 8.218 3.878 187 HD1 TYR 25 HD1 TYR 25 1.421 9.176 5.765 188 HD2 TYR 25 HD2 TYR 25 -0.282 11.718 2.750 189 HE1 TYR 25 HE1 TYR 25 1.894 11.164 7.172 190 HE2 TYR 25 HE2 TYR 25 0.192 13.705 4.157 191 HH TYR 25 HH TYR 25 0.956 14.436 6.105 192 H CYS 26 H CYS 26 2.739 7.163 1.628 193 HA CYS 26 HA CYS 26 1.232 5.952 -0.567 194 1HB CYS 26 2HB CYS 26 3.797 5.653 0.855 195 2HB CYS 26 1HB CYS 26 3.113 4.122 0.308 196 H PHE 27 H PHE 27 -0.642 4.847 -0.098 197 HA PHE 27 HA PHE 27 -0.913 3.519 2.552 198 1HB PHE 27 2HB PHE 27 -3.290 3.539 1.986 199 2HB PHE 27 1HB PHE 27 -2.606 5.135 1.675 200 HD1 PHE 27 HD1 PHE 27 -3.805 2.002 0.118 201 HD2 PHE 27 HD2 PHE 27 -2.361 5.987 -0.578 202 HE1 PHE 27 HE1 PHE 27 -4.510 1.844 -2.254 203 HE2 PHE 27 HE2 PHE 27 -3.067 5.828 -2.950 204 HZ PHE 27 HZ PHE 27 -4.141 3.757 -3.789 205 H LYS 28 H LYS 28 -0.898 1.326 2.749 206 HA LYS 28 HA LYS 28 -0.716 -0.318 0.259 207 1HB LYS 28 2HB LYS 28 1.154 -0.546 1.763 208 2HB LYS 28 1HB LYS 28 0.085 -0.714 3.157 209 1HG LYS 28 2HG LYS 28 -0.636 -2.872 2.486 210 2HG LYS 28 1HG LYS 28 -0.003 -2.663 0.853 211 1HD LYS 28 2HD LYS 28 1.752 -3.878 1.670 212 2HD LYS 28 1HD LYS 28 2.271 -2.311 2.291 213 1HE LYS 28 2HE LYS 28 2.357 -3.768 4.183 214 2HE LYS 28 1HE LYS 28 0.828 -2.888 4.377 215 1HZ LYS 28 1HZ LYS 28 0.332 -5.187 4.591 216 2HZ LYS 28 2HZ LYS 28 1.219 -5.584 3.198 217 3HZ LYS 28 3HZ LYS 28 -0.231 -4.710 3.064 218 H GLU 29 H GLU 29 -2.606 -1.345 -0.295 219 HA GLU 29 HA GLU 29 -4.652 -1.814 1.825 220 1HB GLU 29 2HB GLU 29 -4.577 -1.253 -1.083 221 2HB GLU 29 1HB GLU 29 -5.835 -2.378 -0.568 222 1HG GLU 29 2HG GLU 29 -6.482 -0.702 1.211 223 2HG GLU 29 1HG GLU 29 -5.368 0.436 0.452 224 H SER 30 H SER 30 -3.929 -3.794 2.746 225 HA SER 30 HA SER 30 -3.221 -6.069 1.025 226 1HB SER 30 2HB SER 30 -2.275 -6.781 2.963 227 2HB SER 30 1HB SER 30 -2.707 -5.208 3.624 228 HG SER 30 HG SER 30 -3.510 -7.009 4.848 229 H TRP 31 H TRP 31 -5.021 -6.792 -0.125 230 HA TRP 31 HA TRP 31 -7.672 -6.963 1.120 231 1HB TRP 31 2HB TRP 31 -6.467 -6.960 -1.482 232 2HB TRP 31 1HB TRP 31 -7.470 -8.404 -1.338 233 HD1 TRP 31 HD1 TRP 31 -10.033 -7.896 -0.310 234 HE1 TRP 31 HE1 TRP 31 -11.611 -5.948 -0.908 235 HE3 TRP 31 HE3 TRP 31 -6.661 -4.599 -2.269 236 HZ2 TRP 31 HZ2 TRP 31 -11.463 -3.337 -2.064 237 HZ3 TRP 31 HZ3 TRP 31 -7.407 -2.390 -3.111 238 HH2 TRP 31 HH2 TRP 31 -9.802 -1.755 -3.011 239 H ARG 32 H ARG 32 -8.199 -8.651 2.437 240 HA ARG 32 HA ARG 32 -6.697 -11.214 2.201 241 1HB ARG 32 2HB ARG 32 -7.137 -9.738 4.337 242 2HB ARG 32 1HB ARG 32 -8.719 -10.519 4.318 243 1HG ARG 32 2HG ARG 32 -7.833 -12.637 4.708 244 2HG ARG 32 1HG ARG 32 -6.255 -12.210 4.044 245 1HD ARG 32 2HD ARG 32 -7.124 -10.691 6.460 246 2HD ARG 32 1HD ARG 32 -6.667 -12.389 6.701 247 HE ARG 32 HE ARG 32 -4.704 -11.319 5.009 248 1HH1 ARG 32 1HH2 ARG 32 -5.543 -11.619 8.274 249 2HH1 ARG 32 2HH2 ARG 32 -4.260 -10.616 8.865 250 1HH2 ARG 32 2HH1 ARG 32 -3.222 -9.626 5.709 251 2HH2 ARG 32 1HH1 ARG 32 -2.948 -9.488 7.412 252 H GLU 33 H GLU 33 -7.801 -13.181 1.830 253 HA GLU 33 HA GLU 33 -10.751 -13.095 1.434 254 1HB GLU 33 2HB GLU 33 -9.185 -12.589 -0.659 255 2HB GLU 33 1HB GLU 33 -9.036 -14.347 -0.680 256 1HG GLU 33 2HG GLU 33 -11.411 -14.630 -0.891 257 2HG GLU 33 1HG GLU 33 -11.703 -12.920 -0.574 258 H ALA 34 H ALA 34 -11.529 -15.429 0.934 259 HA ALA 34 HA ALA 34 -10.263 -17.245 2.878 260 1HB ALA 34 1HB ALA 34 -12.592 -17.261 2.998 261 2HB ALA 34 2HB ALA 34 -12.311 -18.643 1.940 262 3HB ALA 34 3HB ALA 34 -12.781 -17.089 1.253 263 H ARG 35 H ARG 35 -9.944 -16.621 -0.447 264 HA ARG 35 HA ARG 35 -9.016 -19.419 -0.992 265 1HB ARG 35 2HB ARG 35 -10.900 -18.307 -2.324 266 2HB ARG 35 1HB ARG 35 -9.668 -17.225 -2.975 267 1HG ARG 35 2HG ARG 35 -9.592 -18.886 -4.578 268 2HG ARG 35 1HG ARG 35 -8.411 -19.531 -3.439 269 1HD ARG 35 2HD ARG 35 -10.898 -20.429 -2.477 270 2HD ARG 35 1HD ARG 35 -10.960 -20.666 -4.235 271 HE ARG 35 HE ARG 35 -8.387 -21.476 -3.373 272 1HH1 ARG 35 1HH2 ARG 35 -10.008 -23.303 -4.982 273 2HH1 ARG 35 2HH2 ARG 35 -10.425 -24.561 -3.867 274 1HH2 ARG 35 2HH1 ARG 35 -9.647 -22.690 -1.055 275 2HH2 ARG 35 1HH1 ARG 35 -10.222 -24.213 -1.644 276 H GLY 36 H GLY 36 -8.035 -16.085 -0.751 277 1HA GLY 36 2HA GLY 36 -5.249 -16.721 -0.796 278 2HA GLY 36 1HA GLY 36 -5.713 -16.087 -2.375 279 H THR 37 H THR 37 -4.019 -14.443 -1.391 280 HA THR 37 HA THR 37 -5.621 -12.173 -0.307 281 HB THR 37 HB THR 37 -3.099 -13.396 0.845 282 HG1 THR 37 HG1 THR 37 -5.329 -12.610 2.316 283 1HG2 THR 37 1HG2 THR 37 -3.247 -11.442 2.473 284 2HG2 THR 37 2HG2 THR 37 -4.341 -10.680 1.317 285 3HG2 THR 37 3HG2 THR 37 -2.678 -11.044 0.851 286 H ARG 38 H ARG 38 -4.898 -10.170 -1.098 287 HA ARG 38 HA ARG 38 -2.335 -10.110 -2.633 288 1HB ARG 38 2HB ARG 38 -5.151 -9.660 -3.588 289 2HB ARG 38 1HB ARG 38 -3.822 -8.801 -4.369 290 1HG ARG 38 2HG ARG 38 -3.106 -11.572 -4.009 291 2HG ARG 38 1HG ARG 38 -4.654 -11.461 -4.849 292 1HD ARG 38 2HD ARG 38 -3.721 -10.105 -6.593 293 2HD ARG 38 1HD ARG 38 -2.228 -9.835 -5.672 294 HE ARG 38 HE ARG 38 -2.972 -12.344 -7.051 295 1HH1 ARG 38 1HH2 ARG 38 -0.387 -10.449 -6.473 296 2HH1 ARG 38 2HH2 ARG 38 0.656 -11.678 -5.838 297 1HH2 ARG 38 2HH1 ARG 38 -1.870 -14.033 -5.527 298 2HH2 ARG 38 1HH1 ARG 38 -0.184 -13.706 -5.301 299 H ILE 39 H ILE 39 -1.260 -8.172 -2.334 300 HA ILE 39 HA ILE 39 -2.672 -6.061 -0.759 301 HB ILE 39 HB ILE 39 0.212 -6.864 -1.195 302 1HG1 ILE 39 2HG1 ILE 39 -0.673 -6.479 1.531 303 2HG1 ILE 39 1HG1 ILE 39 -1.778 -7.565 0.686 304 1HG2 ILE 39 1HG2 ILE 39 -0.925 -4.393 0.136 305 2HG2 ILE 39 2HG2 ILE 39 0.251 -4.462 -1.176 306 3HG2 ILE 39 3HG2 ILE 39 0.706 -4.987 0.445 307 1HD1 ILE 39 1HD1 ILE 39 0.774 -8.372 -0.139 308 2HD1 ILE 39 2HD1 ILE 39 -0.266 -9.204 1.018 309 3HD1 ILE 39 3HD1 ILE 39 0.943 -8.054 1.587 310 H GLU 40 H GLU 40 -2.771 -3.944 -1.537 311 HA GLU 40 HA GLU 40 -1.507 -3.381 -4.195 312 1HB GLU 40 2HB GLU 40 -4.272 -3.733 -3.525 313 2HB GLU 40 1HB GLU 40 -4.020 -2.038 -3.944 314 1HG GLU 40 2HG GLU 40 -3.059 -4.361 -5.636 315 2HG GLU 40 1HG GLU 40 -4.561 -3.483 -5.925 316 H ARG 41 H ARG 41 -0.056 -1.764 -3.683 317 HA ARG 41 HA ARG 41 -0.673 0.176 -1.541 318 1HB ARG 41 2HB ARG 41 1.621 -0.951 -2.898 319 2HB ARG 41 1HB ARG 41 1.725 0.810 -2.891 320 1HG ARG 41 2HG ARG 41 1.413 0.863 -0.474 321 2HG ARG 41 1HG ARG 41 1.173 -0.884 -0.439 322 1HD ARG 41 2HD ARG 41 3.409 -1.190 -0.281 323 2HD ARG 41 1HD ARG 41 3.643 -0.315 -1.808 324 HE ARG 41 HE ARG 41 3.070 1.627 0.162 325 1HH1 ARG 41 1HH2 ARG 41 5.511 1.812 -1.486 326 2HH1 ARG 41 2HH2 ARG 41 6.778 1.560 -0.332 327 1HH2 ARG 41 2HH1 ARG 41 4.681 0.194 2.068 328 2HH2 ARG 41 1HH1 ARG 41 6.308 0.641 1.679 329 H GLY 42 H GLY 42 0.256 2.529 -2.284 330 1HA GLY 42 2HA GLY 42 -0.071 3.527 -4.874 331 2HA GLY 42 1HA GLY 42 -1.687 3.542 -4.166 332 H CYS 43 H CYS 43 -0.838 5.985 -4.745 333 HA CYS 43 HA CYS 43 0.309 7.101 -2.206 334 1HB CYS 43 2HB CYS 43 1.715 7.498 -4.128 335 2HB CYS 43 1HB CYS 43 0.336 8.025 -5.094 336 H ALA 44 H ALA 44 -1.226 8.120 -0.971 337 HA ALA 44 HA ALA 44 -3.181 9.922 -2.237 338 1HB ALA 44 1HB ALA 44 -5.114 8.654 -1.362 339 2HB ALA 44 2HB ALA 44 -4.021 7.424 -0.727 340 3HB ALA 44 3HB ALA 44 -4.167 7.660 -2.469 341 H ALA 45 H ALA 45 -4.746 10.706 -0.340 342 HA ALA 45 HA ALA 45 -3.178 10.899 2.207 343 1HB ALA 45 1HB ALA 45 -4.202 13.358 2.054 344 2HB ALA 45 2HB ALA 45 -4.200 12.994 0.329 345 3HB ALA 45 3HB ALA 45 -2.691 12.953 1.241 346 H THR 46 H THR 46 -6.006 9.916 0.828 347 HA THR 46 HA THR 46 -7.926 11.009 2.752 348 HB THR 46 HB THR 46 -8.150 8.636 0.874 349 HG1 THR 46 HG1 THR 46 -8.991 11.228 0.235 350 1HG2 THR 46 1HG2 THR 46 -10.539 9.233 0.881 351 2HG2 THR 46 2HG2 THR 46 -10.207 10.558 1.996 352 3HG2 THR 46 3HG2 THR 46 -9.974 8.890 2.516 353 H CYS 47 H CYS 47 -6.112 7.987 2.333 354 HA CYS 47 HA CYS 47 -5.924 6.096 3.747 355 1HB CYS 47 2HB CYS 47 -4.922 8.284 4.848 356 2HB CYS 47 1HB CYS 47 -6.245 8.060 5.988 357 HA PRO 48 HA PRO 48 -10.457 6.051 4.730 358 1HB PRO 48 2HB PRO 48 -11.053 3.855 3.214 359 2HB PRO 48 1HB PRO 48 -11.054 5.506 2.563 360 1HG PRO 48 2HG PRO 48 -9.008 3.369 2.296 361 2HG PRO 48 1HG PRO 48 -9.528 4.590 1.125 362 1HD PRO 48 2HD PRO 48 -7.219 4.747 2.602 363 2HD PRO 48 1HD PRO 48 -8.067 6.150 1.916 364 H LYS 49 H LYS 49 -11.650 3.683 5.259 365 HA LYS 49 HA LYS 49 -9.725 2.277 7.082 366 1HB LYS 49 2HB LYS 49 -11.724 1.925 8.502 367 2HB LYS 49 1HB LYS 49 -11.470 3.639 8.180 368 1HG LYS 49 2HG LYS 49 -13.569 3.736 7.375 369 2HG LYS 49 1HG LYS 49 -13.052 2.694 6.048 370 1HD LYS 49 2HD LYS 49 -14.143 0.906 6.895 371 2HD LYS 49 1HD LYS 49 -13.522 1.203 8.520 372 1HE LYS 49 2HE LYS 49 -15.229 3.102 8.692 373 2HE LYS 49 1HE LYS 49 -15.962 2.441 7.215 374 1HZ LYS 49 1HZ LYS 49 -16.219 0.328 8.254 375 2HZ LYS 49 2HZ LYS 49 -16.880 1.486 9.308 376 3HZ LYS 49 3HZ LYS 49 -15.350 0.817 9.625 377 H GLY 50 H GLY 50 -11.167 0.063 7.730 378 1HA GLY 50 2HA GLY 50 -12.440 -1.217 5.466 379 2HA GLY 50 1HA GLY 50 -10.771 -1.759 5.656 380 H SER 51 H SER 51 -11.647 -3.904 6.172 381 HA SER 51 HA SER 51 -12.500 -4.076 9.039 382 1HB SER 51 2HB SER 51 -13.607 -6.115 7.236 383 2HB SER 51 1HB SER 51 -14.424 -5.135 8.450 384 HG SER 51 HG SER 51 -14.159 -4.758 5.750 385 H VAL 52 H VAL 52 -12.107 -6.335 9.908 386 HA VAL 52 HA VAL 52 -9.469 -7.215 9.641 387 HB VAL 52 HB VAL 52 -10.458 -9.392 10.551 388 1HG1 VAL 52 1HG1 VAL 52 -11.757 -7.244 12.114 389 2HG1 VAL 52 2HG1 VAL 52 -10.056 -6.965 11.740 390 3HG1 VAL 52 3HG1 VAL 52 -10.541 -8.419 12.611 391 1HG2 VAL 52 1HG2 VAL 52 -12.640 -9.788 10.154 392 2HG2 VAL 52 2HG2 VAL 52 -12.798 -8.216 9.371 393 3HG2 VAL 52 3HG2 VAL 52 -13.057 -8.365 11.109 394 H TYR 53 H TYR 53 -12.226 -7.927 7.582 395 HA TYR 53 HA TYR 53 -10.424 -9.571 5.834 396 1HB TYR 53 2HB TYR 53 -12.607 -10.839 5.340 397 2HB TYR 53 1HB TYR 53 -11.907 -11.084 6.941 398 HD1 TYR 53 HD1 TYR 53 -14.238 -8.715 5.187 399 HD2 TYR 53 HD2 TYR 53 -13.317 -10.876 8.784 400 HE1 TYR 53 HE1 TYR 53 -16.320 -7.866 6.230 401 HE2 TYR 53 HE2 TYR 53 -15.401 -10.027 9.827 402 HH TYR 53 HH TYR 53 -17.207 -8.778 9.565 403 H GLY 54 H GLY 54 -11.259 -6.664 5.757 404 1HA GLY 54 2HA GLY 54 -12.814 -6.689 3.205 405 2HA GLY 54 1HA GLY 54 -12.721 -5.309 4.301 406 H LEU 55 H LEU 55 -10.457 -4.404 4.614 407 HA LEU 55 HA LEU 55 -8.517 -4.930 2.468 408 1HB LEU 55 2HB LEU 55 -8.745 -2.477 1.723 409 2HB LEU 55 1HB LEU 55 -10.040 -3.569 1.234 410 HG LEU 55 HG LEU 55 -10.321 -2.171 3.859 411 1HD1 LEU 55 1HD1 LEU 55 -9.634 -0.647 1.694 412 2HD1 LEU 55 2HD1 LEU 55 -10.661 -0.083 3.012 413 3HD1 LEU 55 3HD1 LEU 55 -11.389 -0.699 1.529 414 1HD2 LEU 55 1HD2 LEU 55 -12.352 -3.118 3.620 415 2HD2 LEU 55 2HD2 LEU 55 -11.920 -3.690 2.009 416 3HD2 LEU 55 3HD2 LEU 55 -12.637 -2.092 2.214 417 H TYR 56 H TYR 56 -6.634 -4.834 3.628 418 HA TYR 56 HA TYR 56 -6.419 -3.267 6.091 419 1HB TYR 56 2HB TYR 56 -5.363 -5.568 5.264 420 2HB TYR 56 1HB TYR 56 -4.093 -4.502 4.660 421 HD1 TYR 56 HD1 TYR 56 -6.175 -4.992 7.749 422 HD2 TYR 56 HD2 TYR 56 -2.344 -3.967 6.098 423 HE1 TYR 56 HE1 TYR 56 -5.238 -4.803 10.037 424 HE2 TYR 56 HE2 TYR 56 -1.407 -3.779 8.386 425 HH TYR 56 HH TYR 56 -2.971 -4.973 11.114 426 H VAL 57 H VAL 57 -6.564 -1.048 5.475 427 HA VAL 57 HA VAL 57 -4.748 -0.010 3.382 428 HB VAL 57 HB VAL 57 -6.796 1.275 5.218 429 1HG1 VAL 57 1HG1 VAL 57 -6.577 2.941 3.096 430 2HG1 VAL 57 2HG1 VAL 57 -4.920 2.344 3.177 431 3HG1 VAL 57 3HG1 VAL 57 -5.638 3.144 4.574 432 1HG2 VAL 57 1HG2 VAL 57 -7.273 1.083 2.311 433 2HG2 VAL 57 2HG2 VAL 57 -8.373 0.771 3.654 434 3HG2 VAL 57 3HG2 VAL 57 -7.229 -0.472 3.144 435 H LEU 58 H LEU 58 -2.695 0.589 3.936 436 HA LEU 58 HA LEU 58 -2.222 1.629 6.714 437 1HB LEU 58 2HB LEU 58 -1.364 -0.665 6.334 438 2HB LEU 58 1HB LEU 58 -0.440 -0.084 4.948 439 HG LEU 58 HG LEU 58 0.633 1.589 6.585 440 1HD1 LEU 58 1HD1 LEU 58 -0.927 -0.201 8.415 441 2HD1 LEU 58 2HD1 LEU 58 -0.635 1.534 8.531 442 3HD1 LEU 58 3HD1 LEU 58 0.645 0.395 8.952 443 1HD2 LEU 58 1HD2 LEU 58 2.032 -0.421 7.604 444 2HD2 LEU 58 2HD2 LEU 58 2.097 -0.073 5.876 445 3HD2 LEU 58 3HD2 LEU 58 1.070 -1.376 6.475 446 H CYS 59 H CYS 59 -2.113 3.847 6.227 447 HA CYS 59 HA CYS 59 -0.626 4.787 3.858 448 1HB CYS 59 2HB CYS 59 -1.793 6.415 6.125 449 2HB CYS 59 1HB CYS 59 -1.544 6.908 4.453 450 H CYS 60 H CYS 60 1.489 5.435 3.909 451 HA CYS 60 HA CYS 60 2.711 6.231 6.502 452 1HB CYS 60 2HB CYS 60 4.693 4.665 5.578 453 2HB CYS 60 1HB CYS 60 3.430 4.040 6.624 454 H THR 61 H THR 61 5.094 6.945 6.007 455 HA THR 61 HA THR 61 5.492 7.994 3.296 456 HB THR 61 HB THR 61 5.842 10.284 4.700 457 HG1 THR 61 HG1 THR 61 3.737 10.161 6.007 458 1HG2 THR 61 1HG2 THR 61 4.089 11.019 3.443 459 2HG2 THR 61 2HG2 THR 61 3.008 9.761 4.046 460 3HG2 THR 61 3HG2 THR 61 4.151 9.396 2.753 461 H THR 62 H THR 62 7.652 9.422 3.425 462 HA THR 62 HA THR 62 9.970 9.418 3.897 463 HB THR 62 HB THR 62 9.396 8.308 6.609 464 HG1 THR 62 HG1 THR 62 8.515 10.463 7.097 465 1HG2 THR 62 1HG2 THR 62 11.182 9.582 7.172 466 2HG2 THR 62 2HG2 THR 62 10.569 10.981 6.290 467 3HG2 THR 62 3HG2 THR 62 11.455 9.718 5.435 468 H ASP 63 H ASP 63 11.074 7.805 2.827 469 HA ASP 63 HA ASP 63 12.065 5.692 2.444 470 1HB ASP 63 2HB ASP 63 12.319 6.163 5.029 471 2HB ASP 63 1HB ASP 63 11.119 4.878 5.178 472 H ASP 64 H ASP 64 11.186 4.026 1.264 473 HA ASP 64 HA ASP 64 9.602 2.428 0.520 474 1HB ASP 64 2HB ASP 64 9.614 2.500 3.395 475 2HB ASP 64 1HB ASP 64 7.970 2.188 2.836 476 H CYS 65 H CYS 65 7.524 4.235 2.862 477 HA CYS 65 HA CYS 65 5.515 4.589 0.741 478 1HB CYS 65 2HB CYS 65 5.671 5.377 3.666 479 2HB CYS 65 1HB CYS 65 4.224 5.509 2.666 480 H ASN 66 HN ASN 66 8.252 6.120 0.960 481 HA ASN 66 HA ASN 66 7.292 8.917 1.157 482 1HB ASN 66 2HB ASN 66 9.759 9.348 0.832 483 2HB ASN 66 1HB ASN 66 9.393 8.315 2.212 484 1HD2 ASN 66 1HD2 ASN 66 11.711 8.514 0.022 485 2HD2 ASN 66 2HD2 ASN 66 11.975 6.881 -0.355 Start of MODEL 11 1 1H MET 1 1H MET 1 13.376 12.066 -1.671 2 2H MET 1 2H MET 1 13.705 10.467 -2.143 3 3H MET 1 3H MET 1 14.174 11.016 -0.605 4 HA MET 1 HA MET 1 12.278 9.965 0.035 5 1HB MET 1 2HB MET 1 11.638 12.724 -1.001 6 2HB MET 1 1HB MET 1 10.404 11.767 -0.183 7 1HG MET 1 2HG MET 1 11.909 11.515 1.770 8 2HG MET 1 1HG MET 1 13.117 12.509 0.955 9 1HE MET 1 1HE MET 1 9.959 11.989 2.546 10 2HE MET 1 2HE MET 1 8.973 13.050 1.543 11 3HE MET 1 3HE MET 1 9.398 13.542 3.181 12 H LYS 2 H LYS 2 11.917 8.176 -1.388 13 HA LYS 2 HA LYS 2 9.826 8.671 -3.478 14 1HB LYS 2 2HB LYS 2 12.190 6.776 -3.670 15 2HB LYS 2 1HB LYS 2 11.036 7.156 -4.949 16 1HG LYS 2 2HG LYS 2 11.821 9.417 -5.106 17 2HG LYS 2 1HG LYS 2 12.777 9.254 -3.633 18 1HD LYS 2 2HD LYS 2 13.478 7.198 -5.563 19 2HD LYS 2 1HD LYS 2 13.666 8.810 -6.256 20 1HE LYS 2 2HE LYS 2 15.303 9.429 -4.720 21 2HE LYS 2 1HE LYS 2 14.713 8.300 -3.484 22 1HZ LYS 2 1HZ LYS 2 16.413 7.046 -4.258 23 2HZ LYS 2 2HZ LYS 2 16.438 7.801 -5.779 24 3HZ LYS 2 3HZ LYS 2 15.278 6.607 -5.439 25 H CYS 3 H CYS 3 8.603 6.621 -3.981 26 HA CYS 3 HA CYS 3 8.522 4.797 -1.594 27 1HB CYS 3 2HB CYS 3 6.649 6.580 -2.232 28 2HB CYS 3 1HB CYS 3 6.144 5.308 -3.341 29 H LYS 4 H LYS 4 9.107 2.754 -2.158 30 HA LYS 4 HA LYS 4 9.155 1.909 -4.976 31 1HB LYS 4 2HB LYS 4 10.855 1.459 -3.065 32 2HB LYS 4 1HB LYS 4 9.713 0.225 -2.532 33 1HG LYS 4 2HG LYS 4 9.786 -0.577 -5.013 34 2HG LYS 4 1HG LYS 4 11.279 0.357 -5.099 35 1HD LYS 4 2HD LYS 4 10.969 -1.463 -2.762 36 2HD LYS 4 1HD LYS 4 11.243 -2.221 -4.332 37 1HE LYS 4 2HE LYS 4 13.260 -0.826 -4.662 38 2HE LYS 4 1HE LYS 4 12.995 -0.077 -3.075 39 1HZ LYS 4 1HZ LYS 4 13.129 -2.214 -2.029 40 2HZ LYS 4 2HZ LYS 4 14.516 -2.008 -2.988 41 3HZ LYS 4 3HZ LYS 4 13.248 -3.002 -3.526 42 H ILE 5 H ILE 5 7.473 0.843 -5.935 43 HA ILE 5 HA ILE 5 5.472 -0.526 -4.163 44 HB ILE 5 HB ILE 5 5.224 1.119 -6.690 45 1HG1 ILE 5 2HG1 ILE 5 3.296 1.743 -4.703 46 2HG1 ILE 5 1HG1 ILE 5 4.840 1.564 -3.869 47 1HG2 ILE 5 1HG2 ILE 5 3.711 -0.568 -7.211 48 2HG2 ILE 5 2HG2 ILE 5 2.687 0.511 -6.263 49 3HG2 ILE 5 3HG2 ILE 5 3.377 -0.931 -5.518 50 1HD1 ILE 5 1HD1 ILE 5 5.818 3.326 -5.004 51 2HD1 ILE 5 2HD1 ILE 5 4.145 3.881 -4.980 52 3HD1 ILE 5 3HD1 ILE 5 4.798 3.112 -6.426 53 H CYS 6 H CYS 6 5.081 -2.670 -4.659 54 HA CYS 6 HA CYS 6 5.356 -3.780 -7.319 55 1HB CYS 6 2HB CYS 6 7.407 -5.093 -6.859 56 2HB CYS 6 1HB CYS 6 7.725 -3.361 -6.749 57 H ASN 7 H ASN 7 3.500 -3.838 -5.011 58 HA ASN 7 HA ASN 7 2.157 -5.416 -3.873 59 1HB ASN 7 2HB ASN 7 2.370 -6.225 -6.349 60 2HB ASN 7 1HB ASN 7 3.429 -7.467 -5.680 61 1HD2 ASN 7 1HD2 ASN 7 0.417 -7.337 -6.725 62 2HD2 ASN 7 2HD2 ASN 7 -0.400 -8.258 -5.557 63 H PHE 8 H PHE 8 2.929 -5.726 -1.797 64 HA PHE 8 HA PHE 8 5.487 -6.683 -1.043 65 1HB PHE 8 2HB PHE 8 2.799 -6.304 0.155 66 2HB PHE 8 1HB PHE 8 3.861 -7.414 1.020 67 HD1 PHE 8 HD1 PHE 8 3.709 -3.983 -0.452 68 HD2 PHE 8 HD2 PHE 8 5.629 -6.602 2.361 69 HE1 PHE 8 HE1 PHE 8 4.962 -2.060 0.486 70 HE2 PHE 8 HE2 PHE 8 6.881 -4.678 3.298 71 HZ PHE 8 HZ PHE 8 6.548 -2.407 2.360 72 H ASP 9 H ASP 9 6.035 -8.819 -0.110 73 HA ASP 9 HA ASP 9 6.012 -11.189 -0.072 74 1HB ASP 9 2HB ASP 9 3.451 -10.419 0.298 75 2HB ASP 9 1HB ASP 9 3.274 -11.256 -1.245 76 H THR 10 H THR 10 6.151 -9.309 -2.679 77 HA THR 10 HA THR 10 7.104 -11.330 -4.469 78 HB THR 10 HB THR 10 4.773 -12.017 -4.536 79 HG1 THR 10 HG1 THR 10 5.874 -11.956 -6.533 80 1HG2 THR 10 1HG2 THR 10 2.966 -10.514 -4.996 81 2HG2 THR 10 2HG2 THR 10 4.076 -9.204 -5.400 82 3HG2 THR 10 3HG2 THR 10 3.935 -9.758 -3.731 83 H CYS 11 H CYS 11 8.332 -9.035 -3.927 84 HA CYS 11 HA CYS 11 7.569 -6.745 -5.509 85 1HB CYS 11 2HB CYS 11 9.181 -7.085 -3.459 86 2HB CYS 11 1HB CYS 11 10.389 -7.414 -4.700 87 H ARG 12 H ARG 12 7.182 -7.599 -7.661 88 HA ARG 12 HA ARG 12 9.653 -8.504 -9.103 89 1HB ARG 12 2HB ARG 12 6.717 -9.130 -9.295 90 2HB ARG 12 1HB ARG 12 7.746 -9.352 -10.710 91 1HG ARG 12 2HG ARG 12 9.248 -10.513 -8.712 92 2HG ARG 12 1HG ARG 12 7.603 -10.933 -8.236 93 1HD ARG 12 2HD ARG 12 8.208 -11.250 -11.128 94 2HD ARG 12 1HD ARG 12 9.010 -12.395 -10.035 95 HE ARG 12 HE ARG 12 6.431 -12.340 -9.074 96 1HH1 ARG 12 2HH1 ARG 12 6.137 -11.606 -12.140 97 2HH1 ARG 12 1HH1 ARG 12 5.631 -13.149 -12.742 98 1HH2 ARG 12 1HH2 ARG 12 6.512 -14.859 -9.856 99 2HH2 ARG 12 2HH2 ARG 12 5.845 -14.991 -11.450 100 H ALA 13 H ALA 13 7.420 -5.954 -8.761 101 HA ALA 13 HA ALA 13 7.790 -4.991 -11.555 102 1HB ALA 13 1HB ALA 13 6.248 -3.166 -10.142 103 2HB ALA 13 2HB ALA 13 5.861 -4.700 -9.363 104 3HB ALA 13 3HB ALA 13 5.618 -4.505 -11.099 105 H GLY 14 H GLY 14 8.764 -4.314 -8.245 106 1HA GLY 14 2HA GLY 14 10.100 -2.583 -7.350 107 2HA GLY 14 1HA GLY 14 11.072 -2.891 -8.791 108 H GLU 15 H GLU 15 7.769 -1.597 -8.665 109 HA GLU 15 HA GLU 15 8.615 0.672 -10.356 110 1HB GLU 15 2HB GLU 15 6.374 -0.955 -10.096 111 2HB GLU 15 1HB GLU 15 5.849 0.576 -9.396 112 1HG GLU 15 2HG GLU 15 7.153 0.266 -12.116 113 2HG GLU 15 1HG GLU 15 5.424 0.488 -11.840 114 H LEU 16 H LEU 16 9.831 1.970 -8.837 115 HA LEU 16 HA LEU 16 8.434 2.911 -6.391 116 1HB LEU 16 2HB LEU 16 10.709 2.306 -6.070 117 2HB LEU 16 1HB LEU 16 11.216 3.113 -7.554 118 HG LEU 16 HG LEU 16 9.894 4.839 -5.536 119 1HD1 LEU 16 1HD1 LEU 16 12.448 3.348 -5.043 120 2HD1 LEU 16 2HD1 LEU 16 11.187 3.814 -3.900 121 3HD1 LEU 16 3HD1 LEU 16 12.325 5.021 -4.498 122 1HD2 LEU 16 1HD2 LEU 16 11.574 5.067 -7.833 123 2HD2 LEU 16 2HD2 LEU 16 12.457 5.731 -6.459 124 3HD2 LEU 16 3HD2 LEU 16 10.865 6.367 -6.876 125 H LYS 17 H LYS 17 8.072 5.196 -6.036 126 HA LYS 17 HA LYS 17 8.322 6.964 -8.424 127 1HB LYS 17 2HB LYS 17 5.846 6.441 -6.742 128 2HB LYS 17 1HB LYS 17 5.961 7.674 -7.998 129 1HG LYS 17 2HG LYS 17 6.886 5.254 -9.150 130 2HG LYS 17 1HG LYS 17 5.392 4.872 -8.293 131 1HD LYS 17 2HD LYS 17 4.703 5.553 -10.466 132 2HD LYS 17 1HD LYS 17 4.394 6.945 -9.427 133 1HE LYS 17 2HE LYS 17 6.340 8.093 -10.212 134 2HE LYS 17 1HE LYS 17 6.979 6.628 -10.982 135 1HZ LYS 17 1HZ LYS 17 5.029 6.577 -12.416 136 2HZ LYS 17 2HZ LYS 17 5.872 8.039 -12.609 137 3HZ LYS 17 3HZ LYS 17 4.438 7.995 -11.698 138 H VAL 18 H VAL 18 6.810 9.070 -7.101 139 HA VAL 18 HA VAL 18 8.643 9.688 -4.809 140 HB VAL 18 HB VAL 18 8.359 12.070 -5.723 141 1HG1 VAL 18 1HG1 VAL 18 9.659 10.775 -7.954 142 2HG1 VAL 18 2HG1 VAL 18 10.074 9.945 -6.455 143 3HG1 VAL 18 3HG1 VAL 18 10.387 11.672 -6.622 144 1HG2 VAL 18 1HG2 VAL 18 7.727 10.894 -8.369 145 2HG2 VAL 18 2HG2 VAL 18 7.219 12.433 -7.674 146 3HG2 VAL 18 3HG2 VAL 18 6.385 10.945 -7.226 147 H CYS 19 H CYS 19 7.586 10.278 -2.947 148 HA CYS 19 HA CYS 19 4.939 11.566 -3.034 149 1HB CYS 19 2HB CYS 19 5.333 8.705 -2.769 150 2HB CYS 19 1HB CYS 19 4.553 9.355 -1.327 151 H ALA 20 H ALA 20 4.261 10.917 -0.329 152 HA ALA 20 HA ALA 20 4.694 11.807 1.823 153 1HB ALA 20 1HB ALA 20 6.387 10.565 2.735 154 2HB ALA 20 2HB ALA 20 7.560 11.115 1.538 155 3HB ALA 20 3HB ALA 20 6.435 9.817 1.139 156 H SER 21 H SER 21 5.308 13.531 -0.668 157 HA SER 21 HA SER 21 7.574 15.205 0.089 158 1HB SER 21 2HB SER 21 5.506 15.008 -2.015 159 2HB SER 21 1HB SER 21 6.070 16.643 -1.691 160 HG SER 21 HG SER 21 7.298 15.348 -3.270 161 H GLY 22 H GLY 22 4.180 15.097 0.870 162 1HA GLY 22 2HA GLY 22 4.305 16.900 3.014 163 2HA GLY 22 1HA GLY 22 3.852 17.864 1.608 164 H GLU 23 H GLU 23 2.081 16.558 0.219 165 HA GLU 23 HA GLU 23 -0.034 15.702 2.172 166 1HB GLU 23 2HB GLU 23 0.101 17.832 0.321 167 2HB GLU 23 1HB GLU 23 -1.007 16.656 -0.386 168 1HG GLU 23 2HG GLU 23 -1.697 16.722 2.325 169 2HG GLU 23 1HG GLU 23 -1.404 18.410 1.902 170 H LYS 24 H LYS 24 2.015 14.113 0.511 171 HA LYS 24 HA LYS 24 0.023 12.387 -0.928 172 1HB LYS 24 2HB LYS 24 2.754 13.417 -1.623 173 2HB LYS 24 1HB LYS 24 2.254 11.850 -2.261 174 1HG LYS 24 2HG LYS 24 1.417 13.194 -3.935 175 2HG LYS 24 1HG LYS 24 0.034 13.228 -2.841 176 1HD LYS 24 2HD LYS 24 1.405 15.261 -1.778 177 2HD LYS 24 1HD LYS 24 2.047 15.355 -3.419 178 1HE LYS 24 2HE LYS 24 -0.928 15.225 -2.833 179 2HE LYS 24 1HE LYS 24 -0.044 16.750 -3.036 180 1HZ LYS 24 1HZ LYS 24 0.332 16.359 -5.215 181 2HZ LYS 24 2HZ LYS 24 -1.063 15.400 -5.083 182 3HZ LYS 24 3HZ LYS 24 0.475 14.681 -5.014 183 H TYR 25 H TYR 25 -0.239 10.743 0.596 184 HA TYR 25 HA TYR 25 2.216 9.556 1.823 185 1HB TYR 25 2HB TYR 25 -0.747 9.333 2.457 186 2HB TYR 25 1HB TYR 25 0.545 8.583 3.394 187 HD1 TYR 25 HD1 TYR 25 -0.437 11.939 2.025 188 HD2 TYR 25 HD2 TYR 25 1.417 9.743 5.216 189 HE1 TYR 25 HE1 TYR 25 -0.137 14.045 3.300 190 HE2 TYR 25 HE2 TYR 25 1.718 11.848 6.491 191 HH TYR 25 HH TYR 25 0.565 14.139 6.548 192 H CYS 26 H CYS 26 2.830 7.486 1.212 193 HA CYS 26 HA CYS 26 1.722 6.197 -1.078 194 1HB CYS 26 2HB CYS 26 3.881 5.915 0.719 195 2HB CYS 26 1HB CYS 26 3.022 4.375 0.770 196 H PHE 27 H PHE 27 -0.403 5.529 -1.076 197 HA PHE 27 HA PHE 27 -1.716 4.537 1.348 198 1HB PHE 27 2HB PHE 27 -3.008 5.856 -0.149 199 2HB PHE 27 1HB PHE 27 -2.451 4.947 -1.553 200 HD1 PHE 27 HD1 PHE 27 -3.401 3.317 1.616 201 HD2 PHE 27 HD2 PHE 27 -4.680 4.373 -2.347 202 HE1 PHE 27 HE1 PHE 27 -5.340 1.787 1.834 203 HE2 PHE 27 HE2 PHE 27 -6.619 2.843 -2.128 204 HZ PHE 27 HZ PHE 27 -6.950 1.550 -0.038 205 H LYS 28 H LYS 28 -0.877 2.523 1.956 206 HA LYS 28 HA LYS 28 -0.604 0.394 -0.108 207 1HB LYS 28 2HB LYS 28 0.811 1.174 2.176 208 2HB LYS 28 1HB LYS 28 -0.032 -0.293 2.674 209 1HG LYS 28 2HG LYS 28 1.314 -1.593 1.415 210 2HG LYS 28 1HG LYS 28 1.089 -0.564 0.000 211 1HD LYS 28 2HD LYS 28 2.691 0.877 1.868 212 2HD LYS 28 1HD LYS 28 3.377 -0.740 1.710 213 1HE LYS 28 2HE LYS 28 4.081 -0.343 -0.420 214 2HE LYS 28 1HE LYS 28 2.552 0.445 -0.861 215 1HZ LYS 28 1HZ LYS 28 4.203 1.829 1.092 216 2HZ LYS 28 2HZ LYS 28 3.277 2.458 -0.186 217 3HZ LYS 28 3HZ LYS 28 4.812 1.796 -0.491 218 H GLU 29 H GLU 29 -2.233 -1.108 -0.342 219 HA GLU 29 HA GLU 29 -4.219 -1.362 1.897 220 1HB GLU 29 2HB GLU 29 -4.660 -0.275 -0.531 221 2HB GLU 29 1HB GLU 29 -4.959 -1.968 -0.925 222 1HG GLU 29 2HG GLU 29 -6.402 -1.923 1.278 223 2HG GLU 29 1HG GLU 29 -6.429 -0.184 0.988 224 H SER 30 H SER 30 -5.136 -3.502 2.169 225 HA SER 30 HA SER 30 -3.847 -5.733 0.680 226 1HB SER 30 2HB SER 30 -2.340 -5.826 2.397 227 2HB SER 30 1HB SER 30 -3.359 -4.866 3.465 228 HG SER 30 HG SER 30 -4.606 -6.717 3.840 229 H TRP 31 H TRP 31 -5.794 -6.586 -0.082 230 HA TRP 31 HA TRP 31 -8.155 -6.768 1.670 231 1HB TRP 31 2HB TRP 31 -7.514 -6.744 -1.120 232 2HB TRP 31 1HB TRP 31 -8.401 -8.230 -0.779 233 HD1 TRP 31 HD1 TRP 31 -10.630 -7.694 0.988 234 HE1 TRP 31 HE1 TRP 31 -12.418 -5.873 0.631 235 HE3 TRP 31 HE3 TRP 31 -8.103 -4.587 -2.181 236 HZ2 TRP 31 HZ2 TRP 31 -12.735 -3.421 -0.809 237 HZ3 TRP 31 HZ3 TRP 31 -9.170 -2.518 -3.028 238 HH2 TRP 31 HH2 TRP 31 -11.480 -1.931 -2.347 239 H ARG 32 H ARG 32 -8.411 -8.480 3.043 240 HA ARG 32 HA ARG 32 -6.805 -10.941 2.652 241 1HB ARG 32 2HB ARG 32 -7.204 -9.547 4.821 242 2HB ARG 32 1HB ARG 32 -8.769 -10.361 4.866 243 1HG ARG 32 2HG ARG 32 -7.761 -12.132 5.822 244 2HG ARG 32 1HG ARG 32 -6.863 -12.374 4.324 245 1HD ARG 32 2HD ARG 32 -5.183 -12.146 6.011 246 2HD ARG 32 1HD ARG 32 -5.248 -10.551 5.235 247 HE ARG 32 HE ARG 32 -7.177 -10.440 7.249 248 1HH1 ARG 32 2HH1 ARG 32 -4.513 -12.220 7.949 249 2HH1 ARG 32 1HH1 ARG 32 -3.828 -11.135 9.111 250 1HH2 ARG 32 1HH2 ARG 32 -5.997 -8.536 8.356 251 2HH2 ARG 32 2HH2 ARG 32 -4.669 -9.050 9.343 252 H GLU 33 H GLU 33 -7.696 -12.781 1.789 253 HA GLU 33 HA GLU 33 -10.678 -12.882 1.482 254 1HB GLU 33 2HB GLU 33 -8.564 -13.038 -0.351 255 2HB GLU 33 1HB GLU 33 -9.107 -14.707 -0.161 256 1HG GLU 33 2HG GLU 33 -11.500 -13.720 -0.422 257 2HG GLU 33 1HG GLU 33 -10.678 -12.313 -1.097 258 H ALA 34 H ALA 34 -11.465 -15.263 1.360 259 HA ALA 34 HA ALA 34 -10.651 -16.634 3.802 260 1HB ALA 34 1HB ALA 34 -12.387 -18.294 2.855 261 2HB ALA 34 2HB ALA 34 -12.591 -17.138 1.537 262 3HB ALA 34 3HB ALA 34 -12.955 -16.660 3.195 263 H ARG 35 H ARG 35 -9.669 -16.758 0.494 264 HA ARG 35 HA ARG 35 -8.336 -19.407 0.967 265 1HB ARG 35 2HB ARG 35 -9.729 -18.112 -1.329 266 2HB ARG 35 1HB ARG 35 -8.335 -19.123 -1.714 267 1HG ARG 35 2HG ARG 35 -9.454 -20.849 -0.102 268 2HG ARG 35 1HG ARG 35 -10.916 -19.902 -0.378 269 1HD ARG 35 2HD ARG 35 -9.815 -20.244 -2.938 270 2HD ARG 35 1HD ARG 35 -9.639 -21.823 -2.147 271 HE ARG 35 HE ARG 35 -12.108 -21.532 -1.494 272 1HH1 ARG 35 2HH1 ARG 35 -10.684 -20.884 -4.506 273 2HH1 ARG 35 1HH1 ARG 35 -12.150 -20.358 -5.263 274 1HH2 ARG 35 1HH2 ARG 35 -14.013 -20.471 -2.342 275 2HH2 ARG 35 2HH2 ARG 35 -14.034 -20.124 -4.038 276 H GLY 36 H GLY 36 -7.798 -16.081 0.638 277 1HA GLY 36 2HA GLY 36 -4.979 -16.257 0.796 278 2HA GLY 36 1HA GLY 36 -5.389 -16.032 -0.905 279 H THR 37 H THR 37 -4.104 -13.957 -0.373 280 HA THR 37 HA THR 37 -6.081 -11.814 0.216 281 HB THR 37 HB THR 37 -5.075 -12.270 2.362 282 HG1 THR 37 HG1 THR 37 -4.187 -10.297 2.742 283 1HG2 THR 37 1HG2 THR 37 -3.146 -13.472 2.163 284 2HG2 THR 37 2HG2 THR 37 -2.392 -11.880 2.255 285 3HG2 THR 37 3HG2 THR 37 -2.661 -12.639 0.686 286 H ARG 38 H ARG 38 -5.506 -9.810 -0.784 287 HA ARG 38 HA ARG 38 -3.118 -9.934 -2.599 288 1HB ARG 38 2HB ARG 38 -5.809 -9.931 -3.252 289 2HB ARG 38 1HB ARG 38 -5.373 -8.228 -3.402 290 1HG ARG 38 2HG ARG 38 -3.455 -8.868 -4.845 291 2HG ARG 38 1HG ARG 38 -3.962 -10.554 -4.741 292 1HD ARG 38 2HD ARG 38 -5.873 -10.200 -6.045 293 2HD ARG 38 1HD ARG 38 -5.932 -8.468 -5.660 294 HE ARG 38 HE ARG 38 -3.588 -8.532 -6.945 295 1HH1 ARG 38 2HH1 ARG 38 -3.993 -11.193 -8.123 296 2HH1 ARG 38 1HH1 ARG 38 -4.816 -10.846 -9.607 297 1HH2 ARG 38 1HH2 ARG 38 -5.742 -7.644 -8.656 298 2HH2 ARG 38 2HH2 ARG 38 -5.804 -8.837 -9.909 299 H ILE 39 H ILE 39 -1.928 -7.982 -2.795 300 HA ILE 39 HA ILE 39 -2.637 -5.865 -0.794 301 HB ILE 39 HB ILE 39 -0.069 -7.012 -1.886 302 1HG1 ILE 39 2HG1 ILE 39 -0.298 -6.348 0.956 303 2HG1 ILE 39 1HG1 ILE 39 -1.573 -7.440 0.415 304 1HG2 ILE 39 1HG2 ILE 39 0.947 -5.117 -0.361 305 2HG2 ILE 39 2HG2 ILE 39 -0.564 -4.285 -0.730 306 3HG2 ILE 39 3HG2 ILE 39 0.523 -4.760 -2.035 307 1HD1 ILE 39 1HD1 ILE 39 -0.105 -9.142 -0.066 308 2HD1 ILE 39 2HD1 ILE 39 0.848 -8.332 1.178 309 3HD1 ILE 39 3HD1 ILE 39 1.188 -8.036 -0.527 310 H GLU 40 H GLU 40 -3.178 -3.895 -1.634 311 HA GLU 40 HA GLU 40 -2.674 -3.393 -4.531 312 1HB GLU 40 2HB GLU 40 -4.895 -3.172 -2.919 313 2HB GLU 40 1HB GLU 40 -4.302 -1.511 -2.946 314 1HG GLU 40 2HG GLU 40 -5.400 -1.345 -4.923 315 2HG GLU 40 1HG GLU 40 -4.048 -2.263 -5.585 316 H ARG 41 H ARG 41 -1.779 -1.327 -5.176 317 HA ARG 41 HA ARG 41 -0.229 0.060 -3.010 318 1HB ARG 41 2HB ARG 41 0.598 -0.171 -5.907 319 2HB ARG 41 1HB ARG 41 1.613 0.149 -4.501 320 1HG ARG 41 2HG ARG 41 2.083 -2.101 -4.875 321 2HG ARG 41 1HG ARG 41 0.752 -2.227 -3.725 322 1HD ARG 41 2HD ARG 41 -0.685 -3.080 -5.292 323 2HD ARG 41 1HD ARG 41 -0.052 -2.035 -6.578 324 HE ARG 41 HE ARG 41 1.759 -4.160 -5.603 325 1HH1 ARG 41 2HH1 ARG 41 -0.995 -4.037 -7.501 326 2HH1 ARG 41 1HH1 ARG 41 -0.253 -4.660 -8.936 327 1HH2 ARG 41 1HH2 ARG 41 2.965 -4.517 -7.654 328 2HH2 ARG 41 2HH2 ARG 41 1.989 -4.932 -9.024 329 H GLY 42 H GLY 42 0.564 2.311 -4.083 330 1HA GLY 42 2HA GLY 42 -0.394 3.923 -5.900 331 2HA GLY 42 1HA GLY 42 -1.927 3.609 -5.086 332 H CYS 43 H CYS 43 -0.798 6.206 -5.271 333 HA CYS 43 HA CYS 43 0.063 6.715 -2.443 334 1HB CYS 43 2HB CYS 43 1.059 7.491 -5.021 335 2HB CYS 43 1HB CYS 43 0.528 8.940 -4.167 336 H ALA 44 H ALA 44 -1.465 7.745 -1.213 337 HA ALA 44 HA ALA 44 -3.344 9.648 -2.542 338 1HB ALA 44 1HB ALA 44 -4.124 7.408 -0.646 339 2HB ALA 44 2HB ALA 44 -4.344 7.359 -2.396 340 3HB ALA 44 3HB ALA 44 -5.225 8.542 -1.430 341 H ALA 45 H ALA 45 -4.877 10.329 -0.384 342 HA ALA 45 HA ALA 45 -2.862 11.336 1.595 343 1HB ALA 45 1HB ALA 45 -4.546 12.686 -0.122 344 2HB ALA 45 2HB ALA 45 -3.861 13.371 1.352 345 3HB ALA 45 3HB ALA 45 -5.480 12.672 1.374 346 H THR 46 H THR 46 -5.994 9.790 1.152 347 HA THR 46 HA THR 46 -6.034 9.197 4.086 348 HB THR 46 HB THR 46 -8.647 9.429 3.586 349 HG1 THR 46 HG1 THR 46 -9.069 10.528 1.852 350 1HG2 THR 46 1HG2 THR 46 -7.598 10.717 5.304 351 2HG2 THR 46 2HG2 THR 46 -8.407 11.879 4.252 352 3HG2 THR 46 3HG2 THR 46 -6.664 11.644 4.130 353 H CYS 47 H CYS 47 -5.986 7.018 4.279 354 HA CYS 47 HA CYS 47 -7.429 5.367 2.235 355 1HB CYS 47 2HB CYS 47 -5.555 3.691 2.810 356 2HB CYS 47 1HB CYS 47 -5.100 5.091 1.845 357 HA PRO 48 HA PRO 48 -8.595 4.393 6.709 358 1HB PRO 48 2HB PRO 48 -11.075 5.543 6.773 359 2HB PRO 48 1HB PRO 48 -9.600 6.409 7.245 360 1HG PRO 48 2HG PRO 48 -11.159 6.562 4.721 361 2HG PRO 48 1HG PRO 48 -10.302 7.837 5.600 362 1HD PRO 48 2HD PRO 48 -9.342 6.592 3.345 363 2HD PRO 48 1HD PRO 48 -8.323 7.393 4.561 364 H LYS 49 H LYS 49 -9.698 2.451 7.004 365 HA LYS 49 HA LYS 49 -12.086 1.681 5.612 366 1HB LYS 49 2HB LYS 49 -9.861 1.715 3.997 367 2HB LYS 49 1HB LYS 49 -9.883 0.035 4.537 368 1HG LYS 49 2HG LYS 49 -11.947 -0.396 3.555 369 2HG LYS 49 1HG LYS 49 -12.440 1.297 3.603 370 1HD LYS 49 2HD LYS 49 -10.333 1.552 1.969 371 2HD LYS 49 1HD LYS 49 -10.737 -0.127 1.608 372 1HE LYS 49 2HE LYS 49 -12.681 0.445 0.539 373 2HE LYS 49 1HE LYS 49 -13.048 1.738 1.697 374 1HZ LYS 49 1HZ LYS 49 -10.803 1.899 -0.233 375 2HZ LYS 49 2HZ LYS 49 -11.460 3.152 0.708 376 3HZ LYS 49 3HZ LYS 49 -12.349 2.502 -0.584 377 H GLY 50 H GLY 50 -11.490 -1.133 5.408 378 1HA GLY 50 2HA GLY 50 -10.558 -2.905 6.875 379 2HA GLY 50 1HA GLY 50 -10.764 -1.797 8.232 380 H SER 51 H SER 51 -12.041 -4.515 7.028 381 HA SER 51 HA SER 51 -14.652 -4.022 8.333 382 1HB SER 51 2HB SER 51 -14.804 -3.323 5.913 383 2HB SER 51 1HB SER 51 -14.415 -4.981 5.463 384 HG SER 51 HG SER 51 -16.548 -4.305 7.201 385 H VAL 52 H VAL 52 -15.929 -6.168 8.352 386 HA VAL 52 HA VAL 52 -14.585 -8.244 9.595 387 HB VAL 52 HB VAL 52 -17.045 -7.960 9.312 388 1HG1 VAL 52 1HG1 VAL 52 -16.982 -7.403 6.894 389 2HG1 VAL 52 2HG1 VAL 52 -18.100 -8.724 7.229 390 3HG1 VAL 52 3HG1 VAL 52 -16.515 -9.065 6.536 391 1HG2 VAL 52 1HG2 VAL 52 -16.969 -10.095 10.051 392 2HG2 VAL 52 2HG2 VAL 52 -15.545 -10.450 9.073 393 3HG2 VAL 52 3HG2 VAL 52 -17.156 -10.589 8.368 394 H TYR 53 H TYR 53 -14.645 -7.522 6.161 395 HA TYR 53 HA TYR 53 -13.759 -10.068 5.167 396 1HB TYR 53 2HB TYR 53 -13.869 -7.221 4.269 397 2HB TYR 53 1HB TYR 53 -12.843 -8.321 3.349 398 HD1 TYR 53 HD1 TYR 53 -13.926 -10.634 2.714 399 HD2 TYR 53 HD2 TYR 53 -16.157 -7.124 3.789 400 HE1 TYR 53 HE1 TYR 53 -15.929 -11.563 1.586 401 HE2 TYR 53 HE2 TYR 53 -18.160 -8.053 2.660 402 HH TYR 53 HH TYR 53 -18.828 -9.650 1.122 403 H GLY 54 H GLY 54 -11.929 -7.087 5.962 404 1HA GLY 54 2HA GLY 54 -9.801 -7.535 7.291 405 2HA GLY 54 1HA GLY 54 -9.464 -8.779 6.086 406 H LEU 55 H LEU 55 -10.758 -5.496 5.609 407 HA LEU 55 HA LEU 55 -8.876 -5.022 3.419 408 1HB LEU 55 2HB LEU 55 -11.344 -3.976 4.502 409 2HB LEU 55 1HB LEU 55 -10.217 -2.653 4.199 410 HG LEU 55 HG LEU 55 -10.847 -4.813 2.171 411 1HD1 LEU 55 1HD1 LEU 55 -12.675 -3.660 1.514 412 2HD1 LEU 55 2HD1 LEU 55 -11.816 -2.122 1.592 413 3HD1 LEU 55 3HD1 LEU 55 -12.561 -2.791 3.044 414 1HD2 LEU 55 1HD2 LEU 55 -8.860 -2.754 2.365 415 2HD2 LEU 55 2HD2 LEU 55 -9.969 -2.336 1.060 416 3HD2 LEU 55 3HD2 LEU 55 -9.132 -3.888 1.042 417 H TYR 56 H TYR 56 -6.790 -5.044 4.494 418 HA TYR 56 HA TYR 56 -6.275 -3.203 6.724 419 1HB TYR 56 2HB TYR 56 -5.175 -5.386 6.546 420 2HB TYR 56 1HB TYR 56 -4.506 -4.944 4.975 421 HD1 TYR 56 HD1 TYR 56 -4.836 -2.854 8.049 422 HD2 TYR 56 HD2 TYR 56 -2.170 -4.855 5.342 423 HE1 TYR 56 HE1 TYR 56 -2.899 -1.787 9.170 424 HE2 TYR 56 HE2 TYR 56 -0.232 -3.789 6.462 425 HH TYR 56 HH TYR 56 0.366 -2.751 8.506 426 H VAL 57 H VAL 57 -6.111 -1.040 6.266 427 HA VAL 57 HA VAL 57 -4.672 -0.236 3.760 428 HB VAL 57 HB VAL 57 -6.187 1.822 4.017 429 1HG1 VAL 57 1HG1 VAL 57 -6.597 -0.671 2.817 430 2HG1 VAL 57 2HG1 VAL 57 -7.477 0.815 2.462 431 3HG1 VAL 57 3HG1 VAL 57 -8.115 -0.326 3.646 432 1HG2 VAL 57 1HG2 VAL 57 -7.981 1.768 5.518 433 2HG2 VAL 57 2HG2 VAL 57 -6.694 1.026 6.469 434 3HG2 VAL 57 3HG2 VAL 57 -7.909 0.014 5.689 435 H LEU 58 H LEU 58 -3.028 1.287 4.031 436 HA LEU 58 HA LEU 58 -2.795 2.817 6.543 437 1HB LEU 58 2HB LEU 58 -1.873 0.345 6.696 438 2HB LEU 58 1HB LEU 58 -0.504 1.016 5.807 439 HG LEU 58 HG LEU 58 -0.417 2.850 7.575 440 1HD1 LEU 58 1HD1 LEU 58 -1.627 2.618 9.580 441 2HD1 LEU 58 2HD1 LEU 58 -1.990 0.919 9.271 442 3HD1 LEU 58 3HD1 LEU 58 -2.813 2.179 8.350 443 1HD2 LEU 58 1HD2 LEU 58 1.180 1.618 8.625 444 2HD2 LEU 58 2HD2 LEU 58 0.739 0.353 7.478 445 3HD2 LEU 58 3HD2 LEU 58 0.031 0.364 9.092 446 H CYS 59 H CYS 59 -1.949 4.782 5.979 447 HA CYS 59 HA CYS 59 -0.554 5.035 3.356 448 1HB CYS 59 2HB CYS 59 -2.010 6.870 5.259 449 2HB CYS 59 1HB CYS 59 -0.996 7.527 3.975 450 H CYS 60 H CYS 60 1.656 5.219 3.382 451 HA CYS 60 HA CYS 60 2.981 5.992 5.956 452 1HB CYS 60 2HB CYS 60 3.323 3.763 4.564 453 2HB CYS 60 1HB CYS 60 4.361 4.788 3.588 454 H THR 61 H THR 61 4.939 7.369 5.735 455 HA THR 61 HA THR 61 5.361 8.838 3.249 456 HB THR 61 HB THR 61 3.346 9.905 4.161 457 HG1 THR 61 HG1 THR 61 5.432 11.653 4.840 458 1HG2 THR 61 1HG2 THR 61 4.677 9.402 6.638 459 2HG2 THR 61 2HG2 THR 61 3.047 10.026 6.382 460 3HG2 THR 61 3HG2 THR 61 4.408 11.140 6.505 461 H THR 62 H THR 62 7.342 7.443 4.314 462 HA THR 62 HA THR 62 9.238 9.453 5.264 463 HB THR 62 HB THR 62 7.961 8.953 7.309 464 HG1 THR 62 HG1 THR 62 10.292 7.504 7.724 465 1HG2 THR 62 1HG2 THR 62 7.616 6.477 6.277 466 2HG2 THR 62 2HG2 THR 62 7.418 6.840 7.992 467 3HG2 THR 62 3HG2 THR 62 8.932 6.151 7.406 468 H ASP 63 H ASP 63 10.295 8.570 3.315 469 HA ASP 63 HA ASP 63 11.931 7.207 2.292 470 1HB ASP 63 2HB ASP 63 12.510 7.460 4.945 471 2HB ASP 63 1HB ASP 63 12.401 5.705 4.799 472 H ASP 64 H ASP 64 12.007 5.195 1.257 473 HA ASP 64 HA ASP 64 11.224 3.073 0.560 474 1HB ASP 64 2HB ASP 64 11.544 3.117 3.383 475 2HB ASP 64 1HB ASP 64 10.067 2.212 3.048 476 H CYS 65 H CYS 65 8.768 3.746 3.114 477 HA CYS 65 HA CYS 65 6.645 3.208 1.142 478 1HB CYS 65 2HB CYS 65 5.260 3.272 3.210 479 2HB CYS 65 1HB CYS 65 6.652 2.212 3.396 480 H ASN 66 HN ASN 66 8.328 5.730 1.041 481 HA ASN 66 HA ASN 66 7.224 8.070 1.974 482 1HB ASN 66 2HB ASN 66 8.102 7.365 -0.844 483 2HB ASN 66 1HB ASN 66 7.909 9.017 -0.255 484 1HD2 ASN 66 1HD2 ASN 66 9.777 9.921 0.616 485 2HD2 ASN 66 2HD2 ASN 66 11.090 9.040 1.233 Start of MODEL 12 1 1H MET 1 1H MET 1 12.545 12.595 -2.470 2 2H MET 1 2H MET 1 13.463 11.169 -2.348 3 3H MET 1 3H MET 1 13.411 12.263 -1.049 4 HA MET 1 HA MET 1 11.968 10.516 -0.430 5 1HB MET 1 2HB MET 1 10.619 12.961 -1.602 6 2HB MET 1 1HB MET 1 9.763 11.803 -0.583 7 1HG MET 1 2HG MET 1 11.549 12.155 1.168 8 2HG MET 1 1HG MET 1 12.178 13.469 0.172 9 1HE MET 1 1HE MET 1 10.598 12.550 2.936 10 2HE MET 1 2HE MET 1 8.919 12.368 2.437 11 3HE MET 1 3HE MET 1 9.393 13.752 3.418 12 H LYS 2 H LYS 2 11.551 8.582 -1.448 13 HA LYS 2 HA LYS 2 9.774 8.638 -3.852 14 1HB LYS 2 2HB LYS 2 12.168 6.813 -3.572 15 2HB LYS 2 1HB LYS 2 11.243 7.173 -5.028 16 1HG LYS 2 2HG LYS 2 12.109 9.405 -5.137 17 2HG LYS 2 1HG LYS 2 12.811 9.280 -3.523 18 1HD LYS 2 2HD LYS 2 14.111 7.240 -4.562 19 2HD LYS 2 1HD LYS 2 13.743 8.038 -6.092 20 1HE LYS 2 2HE LYS 2 14.903 9.650 -3.827 21 2HE LYS 2 1HE LYS 2 15.968 8.673 -4.856 22 1HZ LYS 2 1HZ LYS 2 14.003 10.707 -5.771 23 2HZ LYS 2 2HZ LYS 2 14.886 9.687 -6.804 24 3HZ LYS 2 3HZ LYS 2 15.693 10.836 -5.847 25 H CYS 3 H CYS 3 8.583 6.613 -4.127 26 HA CYS 3 HA CYS 3 8.512 4.915 -1.650 27 1HB CYS 3 2HB CYS 3 6.632 6.606 -2.041 28 2HB CYS 3 1HB CYS 3 6.178 5.636 -3.442 29 H LYS 4 H LYS 4 9.047 2.825 -2.142 30 HA LYS 4 HA LYS 4 9.144 1.868 -4.904 31 1HB LYS 4 2HB LYS 4 10.843 1.164 -3.378 32 2HB LYS 4 1HB LYS 4 9.655 0.710 -2.156 33 1HG LYS 4 2HG LYS 4 8.952 -1.194 -3.385 34 2HG LYS 4 1HG LYS 4 9.731 -0.628 -4.863 35 1HD LYS 4 2HD LYS 4 11.355 -1.185 -2.386 36 2HD LYS 4 1HD LYS 4 10.922 -2.487 -3.493 37 1HE LYS 4 2HE LYS 4 11.866 -0.946 -5.361 38 2HE LYS 4 1HE LYS 4 12.643 -0.064 -4.031 39 1HZ LYS 4 1HZ LYS 4 13.952 -1.811 -3.503 40 2HZ LYS 4 2HZ LYS 4 13.711 -2.234 -5.131 41 3HZ LYS 4 3HZ LYS 4 12.781 -2.967 -3.912 42 H ILE 5 H ILE 5 7.297 1.170 -5.918 43 HA ILE 5 HA ILE 5 5.041 0.128 -4.278 44 HB ILE 5 HB ILE 5 5.247 0.831 -7.223 45 1HG1 ILE 5 2HG1 ILE 5 5.729 2.798 -5.882 46 2HG1 ILE 5 1HG1 ILE 5 4.078 2.936 -6.488 47 1HG2 ILE 5 1HG2 ILE 5 2.658 1.196 -6.538 48 2HG2 ILE 5 2HG2 ILE 5 3.075 -0.105 -5.422 49 3HG2 ILE 5 3HG2 ILE 5 3.275 -0.335 -7.160 50 1HD1 ILE 5 1HD1 ILE 5 4.987 2.178 -3.708 51 2HD1 ILE 5 2HD1 ILE 5 3.352 1.843 -4.278 52 3HD1 ILE 5 3HD1 ILE 5 3.930 3.506 -4.185 53 H CYS 6 H CYS 6 4.417 -2.000 -4.373 54 HA CYS 6 HA CYS 6 5.234 -3.769 -6.572 55 1HB CYS 6 2HB CYS 6 6.574 -5.226 -5.088 56 2HB CYS 6 1HB CYS 6 7.251 -3.599 -5.132 57 H ASN 7 H ASN 7 4.068 -5.815 -6.450 58 HA ASN 7 HA ASN 7 2.269 -6.267 -4.148 59 1HB ASN 7 2HB ASN 7 0.253 -5.993 -5.456 60 2HB ASN 7 1HB ASN 7 1.231 -4.542 -5.686 61 1HD2 ASN 7 1HD2 ASN 7 -0.765 -6.146 -7.506 62 2HD2 ASN 7 2HD2 ASN 7 0.083 -6.277 -8.971 63 H PHE 8 H PHE 8 0.488 -7.876 -5.913 64 HA PHE 8 HA PHE 8 0.381 -10.030 -6.890 65 1HB PHE 8 2HB PHE 8 2.759 -8.851 -7.786 66 2HB PHE 8 1HB PHE 8 3.253 -10.435 -7.185 67 HD1 PHE 8 HD1 PHE 8 2.086 -8.747 -10.012 68 HD2 PHE 8 HD2 PHE 8 1.484 -12.388 -7.814 69 HE1 PHE 8 HE1 PHE 8 1.138 -9.815 -12.040 70 HE2 PHE 8 HE2 PHE 8 0.537 -13.456 -9.842 71 HZ PHE 8 HZ PHE 8 0.364 -12.170 -11.955 72 H ASP 9 H ASP 9 0.092 -10.098 -4.269 73 HA ASP 9 HA ASP 9 0.382 -11.420 -2.336 74 1HB ASP 9 2HB ASP 9 0.905 -12.972 -4.737 75 2HB ASP 9 1HB ASP 9 1.807 -13.609 -3.362 76 H THR 10 H THR 10 2.750 -9.658 -3.501 77 HA THR 10 HA THR 10 4.548 -10.047 -1.306 78 HB THR 10 HB THR 10 5.062 -12.153 -2.356 79 HG1 THR 10 HG1 THR 10 7.115 -11.800 -2.204 80 1HG2 THR 10 1HG2 THR 10 4.721 -10.552 -4.796 81 2HG2 THR 10 2HG2 THR 10 4.476 -12.279 -4.542 82 3HG2 THR 10 3HG2 THR 10 6.095 -11.656 -4.859 83 H CYS 11 H CYS 11 6.856 -9.043 -2.033 84 HA CYS 11 HA CYS 11 6.197 -6.550 -3.553 85 1HB CYS 11 2HB CYS 11 6.882 -6.570 -1.076 86 2HB CYS 11 1HB CYS 11 8.487 -7.039 -1.636 87 H ARG 12 H ARG 12 6.846 -8.834 -5.069 88 HA ARG 12 HA ARG 12 9.700 -8.916 -5.676 89 1HB ARG 12 2HB ARG 12 7.140 -10.101 -6.687 90 2HB ARG 12 1HB ARG 12 8.562 -10.182 -7.728 91 1HG ARG 12 2HG ARG 12 9.240 -10.883 -4.993 92 2HG ARG 12 1HG ARG 12 7.943 -11.910 -5.606 93 1HD ARG 12 2HD ARG 12 9.888 -11.596 -7.692 94 2HD ARG 12 1HD ARG 12 10.723 -12.096 -6.208 95 HE ARG 12 HE ARG 12 9.408 -14.099 -6.173 96 1HH1 ARG 12 2HH1 ARG 12 9.850 -13.667 -9.207 97 2HH1 ARG 12 1HH1 ARG 12 8.262 -14.019 -9.804 98 1HH2 ARG 12 1HH2 ARG 12 6.753 -13.787 -6.691 99 2HH2 ARG 12 2HH2 ARG 12 6.509 -14.088 -8.378 100 H ALA 13 H ALA 13 7.313 -6.659 -6.345 101 HA ALA 13 HA ALA 13 8.198 -6.000 -9.085 102 1HB ALA 13 1HB ALA 13 6.027 -5.355 -9.030 103 2HB ALA 13 2HB ALA 13 6.551 -3.981 -8.056 104 3HB ALA 13 3HB ALA 13 5.983 -5.453 -7.270 105 H GLY 14 H GLY 14 8.563 -3.463 -9.352 106 1HA GLY 14 2HA GLY 14 10.113 -2.310 -7.115 107 2HA GLY 14 1HA GLY 14 11.003 -2.626 -8.605 108 H GLU 15 H GLU 15 7.640 -1.518 -8.293 109 HA GLU 15 HA GLU 15 8.154 0.643 -10.211 110 1HB GLU 15 2HB GLU 15 5.906 -0.764 -8.939 111 2HB GLU 15 1HB GLU 15 5.607 0.958 -9.173 112 1HG GLU 15 2HG GLU 15 5.917 0.818 -11.510 113 2HG GLU 15 1HG GLU 15 6.739 -0.738 -11.394 114 H LEU 16 H LEU 16 9.824 1.578 -8.542 115 HA LEU 16 HA LEU 16 8.618 2.997 -6.265 116 1HB LEU 16 2HB LEU 16 10.790 2.019 -5.978 117 2HB LEU 16 1HB LEU 16 11.390 2.773 -7.456 118 HG LEU 16 HG LEU 16 10.296 4.621 -5.407 119 1HD1 LEU 16 1HD1 LEU 16 13.075 3.513 -5.031 120 2HD1 LEU 16 2HD1 LEU 16 11.692 2.782 -4.216 121 3HD1 LEU 16 3HD1 LEU 16 12.108 4.467 -3.906 122 1HD2 LEU 16 1HD2 LEU 16 12.984 5.056 -6.478 123 2HD2 LEU 16 2HD2 LEU 16 11.559 6.091 -6.579 124 3HD2 LEU 16 3HD2 LEU 16 11.791 4.792 -7.751 125 H LYS 17 H LYS 17 8.274 5.219 -6.161 126 HA LYS 17 HA LYS 17 9.131 6.947 -8.409 127 1HB LYS 17 2HB LYS 17 6.232 6.584 -7.578 128 2HB LYS 17 1HB LYS 17 6.826 7.598 -8.893 129 1HG LYS 17 2HG LYS 17 7.764 5.540 -9.980 130 2HG LYS 17 1HG LYS 17 6.988 4.577 -8.723 131 1HD LYS 17 2HD LYS 17 4.832 5.090 -9.474 132 2HD LYS 17 1HD LYS 17 5.364 6.554 -10.301 133 1HE LYS 17 2HE LYS 17 5.836 5.415 -12.215 134 2HE LYS 17 1HE LYS 17 6.648 4.110 -11.327 135 1HZ LYS 17 1HZ LYS 17 3.744 4.494 -11.762 136 2HZ LYS 17 2HZ LYS 17 4.341 3.486 -10.531 137 3HZ LYS 17 3HZ LYS 17 4.692 3.145 -12.158 138 H VAL 18 H VAL 18 6.850 8.776 -7.333 139 HA VAL 18 HA VAL 18 8.272 9.628 -4.834 140 HB VAL 18 HB VAL 18 7.542 11.942 -5.671 141 1HG1 VAL 18 1HG1 VAL 18 9.505 10.200 -7.178 142 2HG1 VAL 18 2HG1 VAL 18 9.848 11.330 -5.868 143 3HG1 VAL 18 3HG1 VAL 18 9.373 11.938 -7.454 144 1HG2 VAL 18 1HG2 VAL 18 6.049 10.462 -7.442 145 2HG2 VAL 18 2HG2 VAL 18 7.450 10.888 -8.425 146 3HG2 VAL 18 3HG2 VAL 18 6.481 12.156 -7.675 147 H CYS 19 H CYS 19 6.926 10.419 -3.143 148 HA CYS 19 HA CYS 19 3.975 10.357 -3.584 149 1HB CYS 19 2HB CYS 19 5.041 8.134 -2.771 150 2HB CYS 19 1HB CYS 19 5.289 8.976 -1.240 151 H ALA 20 H ALA 20 6.129 10.557 -0.728 152 HA ALA 20 HA ALA 20 4.636 12.627 0.558 153 1HB ALA 20 1HB ALA 20 7.235 12.798 1.500 154 2HB ALA 20 2HB ALA 20 7.166 11.162 0.843 155 3HB ALA 20 3HB ALA 20 6.018 11.662 2.085 156 H SER 21 H SER 21 4.375 14.117 -1.363 157 HA SER 21 HA SER 21 6.587 16.109 -1.398 158 1HB SER 21 2HB SER 21 5.309 15.005 -3.912 159 2HB SER 21 1HB SER 21 6.716 16.058 -3.802 160 HG SER 21 HG SER 21 7.705 14.290 -2.590 161 H GLY 22 H GLY 22 3.499 15.643 -0.714 162 1HA GLY 22 2HA GLY 22 2.609 18.255 -0.715 163 2HA GLY 22 1HA GLY 22 2.192 17.687 -2.333 164 H GLU 23 H GLU 23 1.910 16.608 1.070 165 HA GLU 23 HA GLU 23 0.113 15.538 2.168 166 1HB GLU 23 2HB GLU 23 -1.010 17.317 0.063 167 2HB GLU 23 1HB GLU 23 -2.123 16.145 0.770 168 1HG GLU 23 2HG GLU 23 -1.602 16.954 3.018 169 2HG GLU 23 1HG GLU 23 -0.407 18.074 2.361 170 H LYS 24 H LYS 24 1.498 13.716 0.749 171 HA LYS 24 HA LYS 24 -0.630 11.959 -0.367 172 1HB LYS 24 2HB LYS 24 1.680 13.201 -1.781 173 2HB LYS 24 1HB LYS 24 1.345 11.511 -2.158 174 1HG LYS 24 2HG LYS 24 -1.088 12.209 -2.498 175 2HG LYS 24 1HG LYS 24 -0.516 13.876 -2.448 176 1HD LYS 24 2HD LYS 24 -0.109 13.665 -4.660 177 2HD LYS 24 1HD LYS 24 1.247 12.634 -4.205 178 1HE LYS 24 2HE LYS 24 0.163 10.716 -4.835 179 2HE LYS 24 1HE LYS 24 -1.408 11.299 -4.251 180 1HZ LYS 24 1HZ LYS 24 -1.206 11.206 -6.725 181 2HZ LYS 24 2HZ LYS 24 -0.020 12.419 -6.625 182 3HZ LYS 24 3HZ LYS 24 -1.610 12.737 -6.115 183 H TYR 25 H TYR 25 -0.370 10.437 1.307 184 HA TYR 25 HA TYR 25 2.380 9.461 1.916 185 1HB TYR 25 2HB TYR 25 -0.186 8.623 3.266 186 2HB TYR 25 1HB TYR 25 1.435 8.719 3.948 187 HD1 TYR 25 HD1 TYR 25 -1.379 10.037 4.772 188 HD2 TYR 25 HD2 TYR 25 2.206 11.443 2.868 189 HE1 TYR 25 HE1 TYR 25 -1.856 12.337 5.569 190 HE2 TYR 25 HE2 TYR 25 1.729 13.743 3.665 191 HH TYR 25 HH TYR 25 -0.917 14.899 4.459 192 H CYS 26 H CYS 26 2.968 7.308 1.511 193 HA CYS 26 HA CYS 26 1.495 5.846 -0.522 194 1HB CYS 26 2HB CYS 26 4.042 5.799 0.877 195 2HB CYS 26 1HB CYS 26 3.388 4.171 0.723 196 H PHE 27 H PHE 27 -0.338 4.680 -0.035 197 HA PHE 27 HA PHE 27 -0.603 3.551 2.725 198 1HB PHE 27 2HB PHE 27 -2.991 3.698 2.303 199 2HB PHE 27 1HB PHE 27 -2.254 5.235 1.849 200 HD1 PHE 27 HD1 PHE 27 -1.890 5.802 -0.539 201 HD2 PHE 27 HD2 PHE 27 -3.951 2.225 0.648 202 HE1 PHE 27 HE1 PHE 27 -2.776 5.549 -2.841 203 HE2 PHE 27 HE2 PHE 27 -4.838 1.972 -1.655 204 HZ PHE 27 HZ PHE 27 -4.250 3.635 -3.399 205 H LYS 28 H LYS 28 -0.248 1.384 2.856 206 HA LYS 28 HA LYS 28 -0.463 -0.304 0.420 207 1HB LYS 28 2HB LYS 28 1.536 -0.383 1.886 208 2HB LYS 28 1HB LYS 28 0.513 -0.854 3.245 209 1HG LYS 28 2HG LYS 28 -0.136 -2.907 2.096 210 2HG LYS 28 1HG LYS 28 0.777 -2.426 0.666 211 1HD LYS 28 2HD LYS 28 2.684 -3.240 1.541 212 2HD LYS 28 1HD LYS 28 2.463 -2.289 3.010 213 1HE LYS 28 2HE LYS 28 1.230 -4.009 4.080 214 2HE LYS 28 1HE LYS 28 0.917 -4.850 2.549 215 1HZ LYS 28 1HZ LYS 28 2.709 -5.993 3.525 216 2HZ LYS 28 2HZ LYS 28 3.497 -4.558 3.976 217 3HZ LYS 28 3HZ LYS 28 3.415 -5.008 2.340 218 H GLU 29 H GLU 29 -2.413 -1.307 0.065 219 HA GLU 29 HA GLU 29 -4.146 -1.897 2.438 220 1HB GLU 29 2HB GLU 29 -4.977 -0.286 0.737 221 2HB GLU 29 1HB GLU 29 -4.818 -1.534 -0.499 222 1HG GLU 29 2HG GLU 29 -6.461 -2.927 0.608 223 2HG GLU 29 1HG GLU 29 -6.532 -1.823 1.983 224 H SER 30 H SER 30 -3.735 -4.030 2.986 225 HA SER 30 HA SER 30 -3.467 -6.048 0.801 226 1HB SER 30 2HB SER 30 -1.750 -5.907 2.587 227 2HB SER 30 1HB SER 30 -2.997 -6.177 3.801 228 HG SER 30 HG SER 30 -2.152 -8.155 3.377 229 H TRP 31 H TRP 31 -5.618 -6.455 0.202 230 HA TRP 31 HA TRP 31 -7.737 -6.803 2.188 231 1HB TRP 31 2HB TRP 31 -8.470 -5.926 0.158 232 2HB TRP 31 1HB TRP 31 -7.374 -6.931 -0.786 233 HD1 TRP 31 HD1 TRP 31 -10.291 -7.692 1.664 234 HE1 TRP 31 HE1 TRP 31 -11.777 -9.499 0.578 235 HE3 TRP 31 HE3 TRP 31 -7.774 -8.376 -2.721 236 HZ2 TRP 31 HZ2 TRP 31 -11.882 -11.033 -1.838 237 HZ3 TRP 31 HZ3 TRP 31 -8.585 -10.012 -4.398 238 HH2 TRP 31 HH2 TRP 31 -10.634 -11.341 -3.962 239 H ARG 32 H ARG 32 -8.703 -8.795 2.775 240 HA ARG 32 HA ARG 32 -6.949 -11.153 2.609 241 1HB ARG 32 2HB ARG 32 -8.697 -10.056 4.444 242 2HB ARG 32 1HB ARG 32 -9.630 -11.405 3.795 243 1HG ARG 32 2HG ARG 32 -8.368 -12.264 5.653 244 2HG ARG 32 1HG ARG 32 -7.596 -12.868 4.186 245 1HD ARG 32 2HD ARG 32 -5.659 -11.828 4.726 246 2HD ARG 32 1HD ARG 32 -6.499 -10.277 4.909 247 HE ARG 32 HE ARG 32 -6.721 -12.299 7.088 248 1HH1 ARG 32 1HH2 ARG 32 -7.768 -9.471 7.300 249 2HH1 ARG 32 2HH2 ARG 32 -6.519 -8.705 8.224 250 1HH2 ARG 32 2HH1 ARG 32 -4.200 -11.223 7.671 251 2HH2 ARG 32 1HH1 ARG 32 -4.500 -9.698 8.436 252 H GLU 33 H GLU 33 -7.236 -12.804 1.159 253 HA GLU 33 HA GLU 33 -9.799 -12.868 -0.402 254 1HB GLU 33 2HB GLU 33 -7.454 -12.277 -1.423 255 2HB GLU 33 1HB GLU 33 -7.169 -14.015 -1.315 256 1HG GLU 33 2HG GLU 33 -8.917 -14.523 -2.805 257 2HG GLU 33 1HG GLU 33 -9.690 -12.955 -2.575 258 H ALA 34 H ALA 34 -10.801 -14.901 -0.649 259 HA ALA 34 HA ALA 34 -10.455 -16.876 1.368 260 1HB ALA 34 1HB ALA 34 -12.438 -17.417 0.438 261 2HB ALA 34 2HB ALA 34 -11.604 -17.995 -1.004 262 3HB ALA 34 3HB ALA 34 -12.108 -16.309 -0.894 263 H ARG 35 H ARG 35 -8.709 -16.350 -1.578 264 HA ARG 35 HA ARG 35 -7.594 -19.122 -1.518 265 1HB ARG 35 2HB ARG 35 -7.941 -16.928 -3.520 266 2HB ARG 35 1HB ARG 35 -6.584 -18.032 -3.745 267 1HG ARG 35 2HG ARG 35 -8.055 -19.947 -3.777 268 2HG ARG 35 1HG ARG 35 -9.438 -18.952 -3.315 269 1HD ARG 35 2HD ARG 35 -9.818 -18.882 -5.579 270 2HD ARG 35 1HD ARG 35 -8.555 -17.636 -5.561 271 HE ARG 35 HE ARG 35 -7.085 -19.948 -5.655 272 1HH1 ARG 35 1HH2 ARG 35 -10.063 -20.237 -7.027 273 2HH1 ARG 35 2HH2 ARG 35 -9.523 -20.411 -8.664 274 1HH2 ARG 35 2HH1 ARG 35 -6.245 -19.532 -7.954 275 2HH2 ARG 35 1HH1 ARG 35 -7.361 -20.011 -9.188 276 H GLY 36 H GLY 36 -6.819 -15.795 -0.856 277 1HA GLY 36 2HA GLY 36 -4.371 -16.430 0.466 278 2HA GLY 36 1HA GLY 36 -3.998 -15.831 -1.151 279 H THR 37 H THR 37 -3.342 -13.744 -0.886 280 HA THR 37 HA THR 37 -5.232 -11.856 0.433 281 HB THR 37 HB THR 37 -2.855 -10.944 1.373 282 HG1 THR 37 HG1 THR 37 -1.452 -12.513 1.622 283 1HG2 THR 37 1HG2 THR 37 -3.960 -11.299 3.297 284 2HG2 THR 37 2HG2 THR 37 -3.746 -13.043 3.137 285 3HG2 THR 37 3HG2 THR 37 -5.140 -12.253 2.398 286 H ARG 38 H ARG 38 -5.297 -9.896 -0.661 287 HA ARG 38 HA ARG 38 -3.425 -9.579 -2.970 288 1HB ARG 38 2HB ARG 38 -6.211 -9.400 -2.618 289 2HB ARG 38 1HB ARG 38 -5.666 -7.735 -2.822 290 1HG ARG 38 2HG ARG 38 -4.865 -10.000 -4.668 291 2HG ARG 38 1HG ARG 38 -6.213 -8.907 -4.987 292 1HD ARG 38 2HD ARG 38 -3.297 -8.110 -4.657 293 2HD ARG 38 1HD ARG 38 -4.253 -8.045 -6.152 294 HE ARG 38 HE ARG 38 -4.367 -6.099 -4.018 295 1HH1 ARG 38 1HH2 ARG 38 -6.137 -7.755 -6.474 296 2HH1 ARG 38 2HH2 ARG 38 -7.411 -6.584 -6.529 297 1HH2 ARG 38 2HH1 ARG 38 -6.065 -4.607 -4.019 298 2HH2 ARG 38 1HH1 ARG 38 -7.371 -4.803 -5.140 299 H ILE 39 H ILE 39 -1.689 -8.317 -2.379 300 HA ILE 39 HA ILE 39 -2.056 -6.120 -0.417 301 HB ILE 39 HB ILE 39 -0.185 -7.847 -0.387 302 1HG1 ILE 39 2HG1 ILE 39 0.530 -4.904 -0.596 303 2HG1 ILE 39 1HG1 ILE 39 0.029 -5.762 0.863 304 1HG2 ILE 39 1HG2 ILE 39 1.104 -6.195 -2.540 305 2HG2 ILE 39 2HG2 ILE 39 0.043 -7.530 -2.990 306 3HG2 ILE 39 3HG2 ILE 39 1.484 -7.836 -2.020 307 1HD1 ILE 39 1HD1 ILE 39 2.231 -6.123 1.231 308 2HD1 ILE 39 2HD1 ILE 39 2.662 -5.647 -0.410 309 3HD1 ILE 39 3HD1 ILE 39 2.138 -7.297 -0.080 310 H GLU 40 H GLU 40 -2.615 -4.143 -1.236 311 HA GLU 40 HA GLU 40 -1.708 -3.437 -4.005 312 1HB GLU 40 2HB GLU 40 -4.201 -3.635 -3.207 313 2HB GLU 40 1HB GLU 40 -3.898 -2.068 -2.455 314 1HG GLU 40 2HG GLU 40 -2.840 -2.000 -5.113 315 2HG GLU 40 1HG GLU 40 -4.492 -2.614 -5.192 316 H ARG 41 H ARG 41 -0.868 -1.285 -4.328 317 HA ARG 41 HA ARG 41 -0.210 0.260 -1.852 318 1HB ARG 41 2HB ARG 41 1.563 -1.420 -2.944 319 2HB ARG 41 1HB ARG 41 1.828 -0.048 -4.020 320 1HG ARG 41 2HG ARG 41 2.485 1.370 -2.247 321 2HG ARG 41 1HG ARG 41 1.788 0.306 -1.025 322 1HD ARG 41 2HD ARG 41 3.793 -1.081 -2.641 323 2HD ARG 41 1HD ARG 41 4.466 0.329 -1.798 324 HE ARG 41 HE ARG 41 2.858 -1.767 -0.383 325 1HH1 ARG 41 2HH1 ARG 41 4.409 1.121 0.134 326 2HH1 ARG 41 1HH1 ARG 41 5.463 0.555 1.388 327 1HH2 ARG 41 1HH2 ARG 41 4.658 -2.785 0.921 328 2HH2 ARG 41 2HH2 ARG 41 5.601 -1.657 1.835 329 H GLY 42 H GLY 42 0.715 2.490 -2.545 330 1HA GLY 42 2HA GLY 42 0.548 3.680 -5.027 331 2HA GLY 42 1HA GLY 42 -1.128 3.668 -4.475 332 H CYS 43 H CYS 43 -1.341 5.893 -4.119 333 HA CYS 43 HA CYS 43 0.019 6.923 -1.695 334 1HB CYS 43 2HB CYS 43 0.373 7.906 -4.518 335 2HB CYS 43 1HB CYS 43 0.516 9.039 -3.173 336 H ALA 44 H ALA 44 -1.571 7.911 -0.510 337 HA ALA 44 HA ALA 44 -3.673 9.478 -1.936 338 1HB ALA 44 1HB ALA 44 -4.403 7.567 0.272 339 2HB ALA 44 2HB ALA 44 -4.211 6.965 -1.375 340 3HB ALA 44 3HB ALA 44 -5.417 8.202 -1.023 341 H ALA 45 H ALA 45 -5.151 10.473 -0.030 342 HA ALA 45 HA ALA 45 -3.284 11.464 2.102 343 1HB ALA 45 1HB ALA 45 -5.573 13.111 1.130 344 2HB ALA 45 2HB ALA 45 -4.222 12.890 0.018 345 3HB ALA 45 3HB ALA 45 -3.950 13.616 1.603 346 H THR 46 H THR 46 -6.090 9.719 1.494 347 HA THR 46 HA THR 46 -7.391 10.543 4.058 348 HB THR 46 HB THR 46 -8.376 8.825 1.756 349 HG1 THR 46 HG1 THR 46 -9.587 10.776 1.311 350 1HG2 THR 46 1HG2 THR 46 -9.589 8.355 3.798 351 2HG2 THR 46 2HG2 THR 46 -10.612 9.359 2.769 352 3HG2 THR 46 3HG2 THR 46 -9.764 10.077 4.139 353 H CYS 47 H CYS 47 -6.170 7.713 2.276 354 HA CYS 47 HA CYS 47 -5.804 5.485 3.017 355 1HB CYS 47 2HB CYS 47 -4.111 7.255 4.047 356 2HB CYS 47 1HB CYS 47 -4.879 6.773 5.558 357 HA PRO 48 HA PRO 48 -9.563 5.371 5.684 358 1HB PRO 48 2HB PRO 48 -10.814 3.401 4.255 359 2HB PRO 48 1HB PRO 48 -10.943 5.122 3.846 360 1HG PRO 48 2HG PRO 48 -9.257 3.004 2.614 361 2HG PRO 48 1HG PRO 48 -10.109 4.356 1.852 362 1HD PRO 48 2HD PRO 48 -7.422 4.343 2.353 363 2HD PRO 48 1HD PRO 48 -8.401 5.822 2.244 364 H LYS 49 H LYS 49 -10.543 3.245 6.692 365 HA LYS 49 HA LYS 49 -8.256 1.553 7.542 366 1HB LYS 49 2HB LYS 49 -11.118 1.617 8.539 367 2HB LYS 49 1HB LYS 49 -9.696 1.028 9.401 368 1HG LYS 49 2HG LYS 49 -9.293 3.087 10.203 369 2HG LYS 49 1HG LYS 49 -9.212 3.732 8.562 370 1HD LYS 49 2HD LYS 49 -11.121 4.846 8.995 371 2HD LYS 49 1HD LYS 49 -11.943 3.286 9.031 372 1HE LYS 49 2HE LYS 49 -11.811 3.128 11.383 373 2HE LYS 49 1HE LYS 49 -10.505 4.327 11.478 374 1HZ LYS 49 1HZ LYS 49 -12.870 5.115 11.997 375 2HZ LYS 49 2HZ LYS 49 -13.136 5.014 10.322 376 3HZ LYS 49 3HZ LYS 49 -11.941 6.056 10.933 377 H GLY 50 H GLY 50 -9.913 -0.693 8.310 378 1HA GLY 50 2HA GLY 50 -10.251 -1.933 5.628 379 2HA GLY 50 1HA GLY 50 -10.063 -2.814 7.146 380 H SER 51 H SER 51 -12.030 -3.989 6.330 381 HA SER 51 HA SER 51 -14.474 -2.666 7.386 382 1HB SER 51 2HB SER 51 -13.890 -3.456 4.556 383 2HB SER 51 1HB SER 51 -15.537 -3.647 5.150 384 HG SER 51 HG SER 51 -15.503 -1.597 4.468 385 H VAL 52 H VAL 52 -16.351 -4.513 6.839 386 HA VAL 52 HA VAL 52 -16.089 -6.605 8.620 387 HB VAL 52 HB VAL 52 -17.442 -6.660 5.901 388 1HG1 VAL 52 1HG1 VAL 52 -18.732 -7.970 8.192 389 2HG1 VAL 52 2HG1 VAL 52 -17.194 -8.707 7.743 390 3HG1 VAL 52 3HG1 VAL 52 -18.484 -8.566 6.549 391 1HG2 VAL 52 1HG2 VAL 52 -18.060 -5.333 8.510 392 2HG2 VAL 52 2HG2 VAL 52 -19.405 -6.004 7.587 393 3HG2 VAL 52 3HG2 VAL 52 -18.370 -4.773 6.866 394 H TYR 53 H TYR 53 -14.858 -6.498 5.295 395 HA TYR 53 HA TYR 53 -14.164 -9.236 4.970 396 1HB TYR 53 2HB TYR 53 -13.732 -6.676 3.727 397 2HB TYR 53 1HB TYR 53 -12.212 -7.571 3.740 398 HD1 TYR 53 HD1 TYR 53 -14.663 -6.887 1.584 399 HD2 TYR 53 HD2 TYR 53 -13.015 -10.349 3.519 400 HE1 TYR 53 HE1 TYR 53 -15.484 -8.314 -0.271 401 HE2 TYR 53 HE2 TYR 53 -13.836 -11.776 1.664 402 HH TYR 53 HH TYR 53 -14.773 -10.615 -1.270 403 H GLY 54 H GLY 54 -11.737 -6.679 5.562 404 1HA GLY 54 2HA GLY 54 -10.394 -6.896 7.717 405 2HA GLY 54 1HA GLY 54 -10.307 -8.616 7.337 406 H LEU 55 H LEU 55 -9.329 -5.405 6.186 407 HA LEU 55 HA LEU 55 -7.178 -6.734 4.571 408 1HB LEU 55 2HB LEU 55 -7.269 -4.475 3.353 409 2HB LEU 55 1HB LEU 55 -8.686 -5.511 3.172 410 HG LEU 55 HG LEU 55 -8.761 -3.714 5.516 411 1HD1 LEU 55 1HD1 LEU 55 -8.156 -1.850 4.389 412 2HD1 LEU 55 2HD1 LEU 55 -9.657 -2.040 3.484 413 3HD1 LEU 55 3HD1 LEU 55 -8.152 -2.697 2.842 414 1HD2 LEU 55 1HD2 LEU 55 -11.085 -3.407 4.661 415 2HD2 LEU 55 2HD2 LEU 55 -10.664 -5.109 4.856 416 3HD2 LEU 55 3HD2 LEU 55 -10.669 -4.380 3.250 417 H TYR 56 H TYR 56 -5.233 -5.098 4.332 418 HA TYR 56 HA TYR 56 -4.633 -3.974 7.052 419 1HB TYR 56 2HB TYR 56 -3.447 -6.063 5.763 420 2HB TYR 56 1HB TYR 56 -2.443 -4.728 5.196 421 HD1 TYR 56 HD1 TYR 56 -2.346 -7.175 7.498 422 HD2 TYR 56 HD2 TYR 56 -2.296 -2.881 7.390 423 HE1 TYR 56 HE1 TYR 56 -1.164 -7.134 9.677 424 HE2 TYR 56 HE2 TYR 56 -1.114 -2.841 9.569 425 HH TYR 56 HH TYR 56 -0.891 -5.520 11.588 426 H VAL 57 H VAL 57 -4.714 -1.757 6.907 427 HA VAL 57 HA VAL 57 -3.763 -0.460 4.380 428 HB VAL 57 HB VAL 57 -5.616 0.403 6.619 429 1HG1 VAL 57 1HG1 VAL 57 -4.095 1.975 4.697 430 2HG1 VAL 57 2HG1 VAL 57 -5.080 2.521 6.053 431 3HG1 VAL 57 3HG1 VAL 57 -5.830 2.204 4.490 432 1HG2 VAL 57 1HG2 VAL 57 -7.198 -0.526 5.311 433 2HG2 VAL 57 2HG2 VAL 57 -5.971 -0.993 4.134 434 3HG2 VAL 57 3HG2 VAL 57 -6.753 0.583 4.015 435 H LEU 58 H LEU 58 -1.680 0.266 4.582 436 HA LEU 58 HA LEU 58 -0.846 1.442 7.217 437 1HB LEU 58 2HB LEU 58 0.504 -0.362 5.219 438 2HB LEU 58 1HB LEU 58 1.477 0.660 6.277 439 HG LEU 58 HG LEU 58 -0.721 -0.986 7.478 440 1HD1 LEU 58 1HD1 LEU 58 1.877 -2.312 7.531 441 2HD1 LEU 58 2HD1 LEU 58 1.252 -2.161 5.889 442 3HD1 LEU 58 3HD1 LEU 58 0.292 -2.973 7.126 443 1HD2 LEU 58 1HD2 LEU 58 0.393 -0.557 9.435 444 2HD2 LEU 58 2HD2 LEU 58 1.055 0.791 8.510 445 3HD2 LEU 58 3HD2 LEU 58 1.980 -0.701 8.681 446 H CYS 59 H CYS 59 -0.632 3.638 6.960 447 HA CYS 59 HA CYS 59 0.105 4.699 4.266 448 1HB CYS 59 2HB CYS 59 -0.629 6.569 6.445 449 2HB CYS 59 1HB CYS 59 -1.207 6.504 4.787 450 H CYS 60 H CYS 60 2.083 5.680 3.974 451 HA CYS 60 HA CYS 60 3.664 6.435 6.398 452 1HB CYS 60 2HB CYS 60 4.455 4.259 5.831 453 2HB CYS 60 1HB CYS 60 4.396 4.606 4.104 454 H THR 61 H THR 61 5.186 8.146 5.987 455 HA THR 61 HA THR 61 5.404 9.277 3.289 456 HB THR 61 HB THR 61 3.244 10.107 4.121 457 HG1 THR 61 HG1 THR 61 4.135 12.450 4.375 458 1HG2 THR 61 1HG2 THR 61 2.999 10.432 6.330 459 2HG2 THR 61 2HG2 THR 61 4.041 11.850 6.199 460 3HG2 THR 61 3HG2 THR 61 4.738 10.275 6.579 461 H THR 62 H THR 62 7.703 8.931 3.689 462 HA THR 62 HA THR 62 9.073 11.175 4.856 463 HB THR 62 HB THR 62 8.127 9.896 6.857 464 HG1 THR 62 HG1 THR 62 10.950 9.967 6.781 465 1HG2 THR 62 1HG2 THR 62 8.571 7.638 5.887 466 2HG2 THR 62 2HG2 THR 62 9.256 7.839 7.499 467 3HG2 THR 62 3HG2 THR 62 10.298 7.932 6.079 468 H ASP 63 H ASP 63 9.341 7.675 4.176 469 HA ASP 63 HA ASP 63 11.395 8.033 2.184 470 1HB ASP 63 2HB ASP 63 12.696 8.665 4.164 471 2HB ASP 63 1HB ASP 63 12.228 7.169 4.974 472 H ASP 64 H ASP 64 11.874 6.021 1.148 473 HA ASP 64 HA ASP 64 11.490 3.751 0.569 474 1HB ASP 64 2HB ASP 64 11.908 3.968 3.407 475 2HB ASP 64 1HB ASP 64 10.724 2.696 3.100 476 H CYS 65 H CYS 65 9.150 4.044 3.297 477 HA CYS 65 HA CYS 65 7.006 3.138 1.454 478 1HB CYS 65 2HB CYS 65 5.749 2.953 3.633 479 2HB CYS 65 1HB CYS 65 7.235 2.009 3.596 480 H ASN 66 HN ASN 66 8.320 6.010 1.896 481 HA ASN 66 HA ASN 66 6.436 7.826 2.884 482 1HB ASN 66 2HB ASN 66 7.631 9.429 1.549 483 2HB ASN 66 1HB ASN 66 8.798 8.183 1.994 484 1HD2 ASN 66 1HD2 ASN 66 8.696 9.982 -0.464 485 2HD2 ASN 66 2HD2 ASN 66 8.744 8.912 -1.780 Start of MODEL 13 1 1H MET 1 1H MET 1 14.297 11.147 0.084 2 2H MET 1 2H MET 1 14.000 11.870 -1.424 3 3H MET 1 3H MET 1 14.122 10.181 -1.299 4 HA MET 1 HA MET 1 12.135 10.509 0.386 5 1HB MET 1 2HB MET 1 12.667 13.063 -0.807 6 2HB MET 1 1HB MET 1 11.077 12.521 -1.344 7 1HG MET 1 2HG MET 1 10.795 11.882 1.214 8 2HG MET 1 1HG MET 1 12.041 13.110 1.430 9 1HE MET 1 1HE MET 1 8.987 12.855 2.389 10 2HE MET 1 2HE MET 1 8.353 14.494 2.263 11 3HE MET 1 3HE MET 1 9.942 14.224 2.974 12 H LYS 2 H LYS 2 11.376 8.587 -0.501 13 HA LYS 2 HA LYS 2 9.942 8.727 -3.066 14 1HB LYS 2 2HB LYS 2 12.623 7.503 -2.688 15 2HB LYS 2 1HB LYS 2 11.466 6.553 -3.622 16 1HG LYS 2 2HG LYS 2 11.739 7.897 -5.405 17 2HG LYS 2 1HG LYS 2 11.320 9.311 -4.437 18 1HD LYS 2 2HD LYS 2 13.469 9.969 -4.373 19 2HD LYS 2 1HD LYS 2 13.966 8.402 -3.734 20 1HE LYS 2 2HE LYS 2 13.619 7.628 -6.256 21 2HE LYS 2 1HE LYS 2 13.907 9.349 -6.579 22 1HZ LYS 2 1HZ LYS 2 15.736 7.348 -5.624 23 2HZ LYS 2 2HZ LYS 2 15.730 8.744 -4.656 24 3HZ LYS 2 3HZ LYS 2 16.059 8.860 -6.319 25 H CYS 3 H CYS 3 9.464 6.098 -3.551 26 HA CYS 3 HA CYS 3 8.798 4.750 -0.984 27 1HB CYS 3 2HB CYS 3 7.031 6.490 -2.035 28 2HB CYS 3 1HB CYS 3 6.590 5.060 -2.966 29 H LYS 4 H LYS 4 9.004 2.549 -1.239 30 HA LYS 4 HA LYS 4 9.706 1.439 -3.851 31 1HB LYS 4 2HB LYS 4 10.006 -0.612 -2.500 32 2HB LYS 4 1HB LYS 4 10.774 0.772 -1.724 33 1HG LYS 4 2HG LYS 4 9.291 0.792 0.015 34 2HG LYS 4 1HG LYS 4 7.936 0.296 -0.999 35 1HD LYS 4 2HD LYS 4 8.182 -1.830 -0.311 36 2HD LYS 4 1HD LYS 4 9.835 -1.846 -0.927 37 1HE LYS 4 2HE LYS 4 10.728 -1.078 1.157 38 2HE LYS 4 1HE LYS 4 9.116 -0.647 1.764 39 1HZ LYS 4 1HZ LYS 4 8.495 -2.847 1.955 40 2HZ LYS 4 2HZ LYS 4 10.128 -2.921 2.420 41 3HZ LYS 4 3HZ LYS 4 9.665 -3.395 0.856 42 H ILE 5 H ILE 5 8.460 -0.077 -5.045 43 HA ILE 5 HA ILE 5 5.646 -0.517 -4.114 44 HB ILE 5 HB ILE 5 6.730 0.564 -6.716 45 1HG1 ILE 5 2HG1 ILE 5 4.254 1.693 -5.823 46 2HG1 ILE 5 1HG1 ILE 5 5.349 1.606 -4.443 47 1HG2 ILE 5 1HG2 ILE 5 4.210 -1.003 -6.231 48 2HG2 ILE 5 2HG2 ILE 5 5.310 -1.066 -7.608 49 3HG2 ILE 5 3HG2 ILE 5 4.212 0.300 -7.419 50 1HD1 ILE 5 1HD1 ILE 5 7.008 2.904 -5.533 51 2HD1 ILE 5 2HD1 ILE 5 5.489 3.719 -5.910 52 3HD1 ILE 5 3HD1 ILE 5 6.256 2.683 -7.113 53 H CYS 6 H CYS 6 4.973 -2.611 -4.366 54 HA CYS 6 HA CYS 6 5.995 -4.396 -6.425 55 1HB CYS 6 2HB CYS 6 7.230 -5.869 -4.876 56 2HB CYS 6 1HB CYS 6 7.908 -4.241 -4.841 57 H ASN 7 H ASN 7 4.187 -5.624 -6.833 58 HA ASN 7 HA ASN 7 2.592 -6.623 -4.505 59 1HB ASN 7 2HB ASN 7 1.844 -4.456 -5.901 60 2HB ASN 7 1HB ASN 7 1.188 -5.693 -6.972 61 1HD2 ASN 7 1HD2 ASN 7 0.814 -7.537 -4.545 62 2HD2 ASN 7 2HD2 ASN 7 -0.588 -6.949 -3.790 63 H PHE 8 H PHE 8 0.629 -7.466 -6.758 64 HA PHE 8 HA PHE 8 0.280 -9.346 -8.143 65 1HB PHE 8 2HB PHE 8 3.301 -9.489 -8.278 66 2HB PHE 8 1HB PHE 8 2.137 -10.001 -9.498 67 HD1 PHE 8 HD1 PHE 8 0.274 -7.833 -9.752 68 HD2 PHE 8 HD2 PHE 8 4.515 -7.663 -9.090 69 HE1 PHE 8 HE1 PHE 8 0.344 -5.576 -10.778 70 HE2 PHE 8 HE2 PHE 8 4.584 -5.407 -10.115 71 HZ PHE 8 HZ PHE 8 2.499 -4.362 -10.959 72 H ASP 9 H ASP 9 -0.075 -9.981 -5.591 73 HA ASP 9 HA ASP 9 -0.077 -11.827 -4.114 74 1HB ASP 9 2HB ASP 9 0.350 -12.745 -6.721 75 2HB ASP 9 1HB ASP 9 1.600 -13.546 -5.767 76 H THR 10 H THR 10 2.537 -10.003 -4.791 77 HA THR 10 HA THR 10 4.028 -10.740 -2.471 78 HB THR 10 HB THR 10 4.481 -12.787 -3.725 79 HG1 THR 10 HG1 THR 10 6.220 -11.596 -2.599 80 1HG2 THR 10 1HG2 THR 10 4.127 -11.341 -5.956 81 2HG2 THR 10 2HG2 THR 10 5.024 -12.859 -5.955 82 3HG2 THR 10 3HG2 THR 10 5.890 -11.323 -5.900 83 H CYS 11 H CYS 11 6.637 -10.260 -3.996 84 HA CYS 11 HA CYS 11 6.233 -7.443 -4.883 85 1HB CYS 11 2HB CYS 11 7.747 -8.492 -2.514 86 2HB CYS 11 1HB CYS 11 8.359 -7.062 -3.344 87 H ARG 12 H ARG 12 6.741 -9.176 -6.802 88 HA ARG 12 HA ARG 12 9.561 -9.868 -7.123 89 1HB ARG 12 2HB ARG 12 6.976 -10.159 -8.542 90 2HB ARG 12 1HB ARG 12 8.400 -10.116 -9.582 91 1HG ARG 12 2HG ARG 12 9.419 -11.948 -8.359 92 2HG ARG 12 1HG ARG 12 8.115 -11.931 -7.172 93 1HD ARG 12 2HD ARG 12 6.764 -13.177 -8.508 94 2HD ARG 12 1HD ARG 12 7.127 -12.175 -9.928 95 HE ARG 12 HE ARG 12 9.403 -13.448 -9.891 96 1HH1 ARG 12 2HH1 ARG 12 6.566 -14.746 -10.686 97 2HH1 ARG 12 1HH1 ARG 12 6.892 -16.371 -10.184 98 1HH2 ARG 12 1HH2 ARG 12 9.759 -15.535 -8.424 99 2HH2 ARG 12 2HH2 ARG 12 8.699 -16.818 -8.902 100 H ALA 13 H ALA 13 7.734 -7.019 -7.576 101 HA ALA 13 HA ALA 13 9.334 -5.967 -9.813 102 1HB ALA 13 1HB ALA 13 7.104 -5.241 -9.804 103 2HB ALA 13 2HB ALA 13 7.931 -3.876 -9.052 104 3HB ALA 13 3HB ALA 13 7.075 -5.050 -8.050 105 H GLY 14 H GLY 14 8.676 -4.619 -6.557 106 1HA GLY 14 2HA GLY 14 10.123 -3.564 -5.035 107 2HA GLY 14 1HA GLY 14 11.452 -4.413 -5.825 108 H GLU 15 H GLU 15 9.156 -2.135 -7.301 109 HA GLU 15 HA GLU 15 11.500 -0.484 -8.156 110 1HB GLU 15 2HB GLU 15 9.775 -1.585 -9.738 111 2HB GLU 15 1HB GLU 15 8.654 -0.351 -9.162 112 1HG GLU 15 2HG GLU 15 10.351 1.393 -9.812 113 2HG GLU 15 1HG GLU 15 11.305 0.107 -10.553 114 H LEU 16 H LEU 16 11.772 1.480 -7.136 115 HA LEU 16 HA LEU 16 9.622 2.457 -5.358 116 1HB LEU 16 2HB LEU 16 12.432 3.467 -5.875 117 2HB LEU 16 1HB LEU 16 11.395 3.923 -4.523 118 HG LEU 16 HG LEU 16 11.490 1.081 -4.591 119 1HD1 LEU 16 1HD1 LEU 16 14.281 2.039 -4.212 120 2HD1 LEU 16 2HD1 LEU 16 13.719 1.902 -5.878 121 3HD1 LEU 16 3HD1 LEU 16 13.697 0.490 -4.821 122 1HD2 LEU 16 1HD2 LEU 16 12.705 3.180 -2.770 123 2HD2 LEU 16 2HD2 LEU 16 12.627 1.464 -2.373 124 3HD2 LEU 16 3HD2 LEU 16 11.141 2.391 -2.579 125 H LYS 17 H LYS 17 9.322 4.917 -5.339 126 HA LYS 17 HA LYS 17 9.650 6.308 -7.907 127 1HB LYS 17 2HB LYS 17 7.388 4.668 -7.371 128 2HB LYS 17 1HB LYS 17 6.841 6.340 -7.258 129 1HG LYS 17 2HG LYS 17 8.396 6.481 -9.487 130 2HG LYS 17 1HG LYS 17 7.800 4.825 -9.613 131 1HD LYS 17 2HD LYS 17 5.588 5.487 -9.814 132 2HD LYS 17 1HD LYS 17 5.849 6.990 -8.927 133 1HE LYS 17 2HE LYS 17 6.147 8.105 -10.873 134 2HE LYS 17 1HE LYS 17 7.466 7.004 -11.321 135 1HZ LYS 17 1HZ LYS 17 5.814 5.374 -12.015 136 2HZ LYS 17 2HZ LYS 17 5.632 6.819 -12.888 137 3HZ LYS 17 3HZ LYS 17 4.562 6.448 -11.623 138 H VAL 18 H VAL 18 7.509 8.177 -7.376 139 HA VAL 18 HA VAL 18 8.221 9.258 -4.681 140 HB VAL 18 HB VAL 18 8.133 10.911 -7.215 141 1HG1 VAL 18 1HG1 VAL 18 7.943 11.874 -4.808 142 2HG1 VAL 18 2HG1 VAL 18 9.122 12.601 -5.900 143 3HG1 VAL 18 3HG1 VAL 18 9.650 11.456 -4.666 144 1HG2 VAL 18 1HG2 VAL 18 9.939 9.525 -7.722 145 2HG2 VAL 18 2HG2 VAL 18 10.338 9.256 -6.025 146 3HG2 VAL 18 3HG2 VAL 18 10.741 10.792 -6.794 147 H CYS 19 H CYS 19 6.488 10.254 -3.663 148 HA CYS 19 HA CYS 19 4.145 11.196 -5.160 149 1HB CYS 19 2HB CYS 19 4.395 8.480 -4.143 150 2HB CYS 19 1HB CYS 19 3.018 9.306 -3.416 151 H ALA 20 H ALA 20 5.861 12.521 -3.335 152 HA ALA 20 HA ALA 20 3.915 13.217 -1.206 153 1HB ALA 20 1HB ALA 20 6.739 12.761 -0.359 154 2HB ALA 20 2HB ALA 20 5.756 11.332 -0.674 155 3HB ALA 20 3HB ALA 20 5.246 12.504 0.541 156 H SER 21 H SER 21 4.589 14.796 -3.399 157 HA SER 21 HA SER 21 6.712 16.681 -2.522 158 1HB SER 21 2HB SER 21 5.017 17.075 -4.951 159 2HB SER 21 1HB SER 21 6.753 17.296 -4.752 160 HG SER 21 HG SER 21 5.267 14.969 -5.237 161 H GLY 22 H GLY 22 3.252 16.350 -2.540 162 1HA GLY 22 2HA GLY 22 3.022 19.181 -1.597 163 2HA GLY 22 1HA GLY 22 1.793 18.441 -2.625 164 H GLU 23 H GLU 23 0.699 16.479 -1.710 165 HA GLU 23 HA GLU 23 0.821 16.178 1.232 166 1HB GLU 23 2HB GLU 23 -0.692 18.159 0.430 167 2HB GLU 23 1HB GLU 23 -1.806 16.884 -0.066 168 1HG GLU 23 2HG GLU 23 -1.259 15.997 2.407 169 2HG GLU 23 1HG GLU 23 -0.979 17.719 2.673 170 H LYS 24 H LYS 24 1.541 14.121 -0.237 171 HA LYS 24 HA LYS 24 -0.864 12.339 -0.323 172 1HB LYS 24 2HB LYS 24 1.160 13.014 -2.422 173 2HB LYS 24 1HB LYS 24 0.533 11.365 -2.378 174 1HG LYS 24 2HG LYS 24 -1.245 13.817 -2.392 175 2HG LYS 24 1HG LYS 24 -0.778 12.948 -3.855 176 1HD LYS 24 2HD LYS 24 -1.642 10.840 -2.548 177 2HD LYS 24 1HD LYS 24 -2.520 12.030 -1.586 178 1HE LYS 24 2HE LYS 24 -2.936 12.829 -4.249 179 2HE LYS 24 1HE LYS 24 -3.120 11.063 -4.259 180 1HZ LYS 24 1HZ LYS 24 -4.660 13.077 -2.818 181 2HZ LYS 24 2HZ LYS 24 -4.327 11.637 -1.980 182 3HZ LYS 24 3HZ LYS 24 -5.160 11.590 -3.461 183 H TYR 25 H TYR 25 -0.476 10.675 1.070 184 HA TYR 25 HA TYR 25 2.343 9.931 1.699 185 1HB TYR 25 2HB TYR 25 -0.222 9.039 3.039 186 2HB TYR 25 1HB TYR 25 1.402 9.055 3.720 187 HD1 TYR 25 HD1 TYR 25 2.039 11.844 2.363 188 HD2 TYR 25 HD2 TYR 25 -1.107 10.396 4.904 189 HE1 TYR 25 HE1 TYR 25 1.666 14.144 3.212 190 HE2 TYR 25 HE2 TYR 25 -1.480 12.695 5.754 191 HH TYR 25 HH TYR 25 -0.932 15.193 4.596 192 H CYS 26 H CYS 26 2.968 7.679 1.621 193 HA CYS 26 HA CYS 26 1.842 6.165 -0.576 194 1HB CYS 26 2HB CYS 26 4.118 6.164 1.179 195 2HB CYS 26 1HB CYS 26 3.433 4.541 1.146 196 H PHE 27 H PHE 27 -0.365 5.723 -0.076 197 HA PHE 27 HA PHE 27 -1.065 4.422 2.472 198 1HB PHE 27 2HB PHE 27 -2.627 5.990 1.633 199 2HB PHE 27 1HB PHE 27 -2.498 5.367 -0.011 200 HD1 PHE 27 HD1 PHE 27 -2.763 3.239 3.007 201 HD2 PHE 27 HD2 PHE 27 -4.839 4.906 -0.364 202 HE1 PHE 27 HE1 PHE 27 -4.674 1.715 3.430 203 HE2 PHE 27 HE2 PHE 27 -6.750 3.383 0.059 204 HZ PHE 27 HZ PHE 27 -6.667 1.787 1.956 205 H LYS 28 H LYS 28 -1.146 2.231 2.738 206 HA LYS 28 HA LYS 28 -1.197 0.507 0.280 207 1HB LYS 28 2HB LYS 28 0.367 0.407 2.856 208 2HB LYS 28 1HB LYS 28 0.100 -1.065 1.921 209 1HG LYS 28 2HG LYS 28 1.079 0.031 -0.071 210 2HG LYS 28 1HG LYS 28 1.377 1.483 0.886 211 1HD LYS 28 2HD LYS 28 2.408 -0.997 2.101 212 2HD LYS 28 1HD LYS 28 3.179 -0.562 0.575 213 1HE LYS 28 2HE LYS 28 3.914 1.534 1.408 214 2HE LYS 28 1HE LYS 28 2.788 1.476 2.779 215 1HZ LYS 28 1HZ LYS 28 4.666 0.697 3.790 216 2HZ LYS 28 2HZ LYS 28 5.293 0.007 2.369 217 3HZ LYS 28 3HZ LYS 28 4.041 -0.771 3.214 218 H GLU 29 H GLU 29 -2.877 -0.954 0.250 219 HA GLU 29 HA GLU 29 -4.331 -1.454 2.828 220 1HB GLU 29 2HB GLU 29 -5.507 0.040 1.238 221 2HB GLU 29 1HB GLU 29 -5.399 -1.208 -0.003 222 1HG GLU 29 2HG GLU 29 -6.729 -2.734 1.386 223 2HG GLU 29 1HG GLU 29 -6.808 -1.522 2.664 224 H SER 30 H SER 30 -4.060 -3.574 3.396 225 HA SER 30 HA SER 30 -3.515 -5.600 1.287 226 1HB SER 30 2HB SER 30 -2.165 -5.241 3.445 227 2HB SER 30 1HB SER 30 -3.544 -5.928 4.297 228 HG SER 30 HG SER 30 -3.235 -7.640 2.508 229 H TRP 31 H TRP 31 -5.303 -6.616 0.477 230 HA TRP 31 HA TRP 31 -7.751 -6.848 2.156 231 1HB TRP 31 2HB TRP 31 -7.159 -6.275 -0.540 232 2HB TRP 31 1HB TRP 31 -7.918 -7.867 -0.553 233 HD1 TRP 31 HD1 TRP 31 -9.853 -7.427 1.942 234 HE1 TRP 31 HE1 TRP 31 -11.916 -5.904 1.673 235 HE3 TRP 31 HE3 TRP 31 -8.391 -4.673 -2.100 236 HZ2 TRP 31 HZ2 TRP 31 -12.825 -3.794 -0.034 237 HZ3 TRP 31 HZ3 TRP 31 -9.872 -2.916 -3.027 238 HH2 TRP 31 HH2 TRP 31 -12.086 -2.473 -2.000 239 H ARG 32 H ARG 32 -8.559 -8.852 2.782 240 HA ARG 32 HA ARG 32 -6.865 -11.241 2.140 241 1HB ARG 32 2HB ARG 32 -7.074 -10.339 4.515 242 2HB ARG 32 1HB ARG 32 -8.773 -10.810 4.455 243 1HG ARG 32 2HG ARG 32 -8.204 -13.126 4.138 244 2HG ARG 32 1HG ARG 32 -6.501 -12.733 3.898 245 1HD ARG 32 2HD ARG 32 -8.002 -12.157 6.476 246 2HD ARG 32 1HD ARG 32 -7.001 -13.599 6.215 247 HE ARG 32 HE ARG 32 -5.321 -11.569 5.447 248 1HH1 ARG 32 2HH1 ARG 32 -6.215 -13.046 8.284 249 2HH1 ARG 32 1HH1 ARG 32 -5.660 -11.790 9.339 250 1HH2 ARG 32 1HH2 ARG 32 -5.063 -9.534 6.774 251 2HH2 ARG 32 2HH2 ARG 32 -5.009 -9.801 8.485 252 H GLU 33 H GLU 33 -7.873 -12.437 0.553 253 HA GLU 33 HA GLU 33 -10.861 -12.571 0.545 254 1HB GLU 33 2HB GLU 33 -9.007 -12.016 -1.415 255 2HB GLU 33 1HB GLU 33 -9.322 -13.730 -1.686 256 1HG GLU 33 2HG GLU 33 -11.819 -13.116 -1.526 257 2HG GLU 33 1HG GLU 33 -11.292 -11.443 -1.716 258 H ALA 34 H ALA 34 -11.633 -14.828 -0.326 259 HA ALA 34 HA ALA 34 -10.651 -16.868 1.525 260 1HB ALA 34 1HB ALA 34 -12.750 -16.746 -0.657 261 2HB ALA 34 2HB ALA 34 -13.009 -16.678 1.086 262 3HB ALA 34 3HB ALA 34 -12.482 -18.182 0.332 263 H ARG 35 H ARG 35 -10.282 -16.124 -1.899 264 HA ARG 35 HA ARG 35 -9.101 -18.739 -2.546 265 1HB ARG 35 2HB ARG 35 -10.503 -17.130 -4.020 266 2HB ARG 35 1HB ARG 35 -9.009 -16.206 -4.188 267 1HG ARG 35 2HG ARG 35 -7.992 -18.585 -4.769 268 2HG ARG 35 1HG ARG 35 -9.663 -18.949 -5.196 269 1HD ARG 35 2HD ARG 35 -9.619 -16.783 -6.588 270 2HD ARG 35 1HD ARG 35 -7.857 -16.832 -6.385 271 HE ARG 35 HE ARG 35 -7.867 -19.052 -7.474 272 1HH1 ARG 35 2HH1 ARG 35 -9.261 -17.014 -9.321 273 2HH1 ARG 35 1HH1 ARG 35 -10.604 -17.958 -9.875 274 1HH2 ARG 35 1HH2 ARG 35 -10.259 -20.377 -7.414 275 2HH2 ARG 35 2HH2 ARG 35 -11.169 -19.862 -8.795 276 H GLY 36 H GLY 36 -7.983 -16.076 -0.889 277 1HA GLY 36 2HA GLY 36 -5.405 -16.740 -0.432 278 2HA GLY 36 1HA GLY 36 -5.273 -16.049 -2.050 279 H THR 37 H THR 37 -4.264 -14.100 -1.636 280 HA THR 37 HA THR 37 -5.843 -12.053 -0.216 281 HB THR 37 HB THR 37 -3.080 -12.926 0.689 282 HG1 THR 37 HG1 THR 37 -5.393 -12.928 2.265 283 1HG2 THR 37 1HG2 THR 37 -4.912 -10.886 1.960 284 2HG2 THR 37 2HG2 THR 37 -3.645 -10.444 0.816 285 3HG2 THR 37 3HG2 THR 37 -3.224 -11.213 2.347 286 H ARG 38 H ARG 38 -4.951 -9.879 -0.599 287 HA ARG 38 HA ARG 38 -2.651 -9.591 -2.417 288 1HB ARG 38 2HB ARG 38 -5.417 -9.817 -3.312 289 2HB ARG 38 1HB ARG 38 -4.703 -8.283 -3.811 290 1HG ARG 38 2HG ARG 38 -3.854 -9.501 -5.536 291 2HG ARG 38 1HG ARG 38 -2.655 -10.015 -4.348 292 1HD ARG 38 2HD ARG 38 -3.389 -12.147 -4.538 293 2HD ARG 38 1HD ARG 38 -5.010 -11.636 -4.026 294 HE ARG 38 HE ARG 38 -5.609 -11.877 -6.293 295 1HH1 ARG 38 1HH2 ARG 38 -2.655 -12.826 -6.767 296 2HH1 ARG 38 2HH2 ARG 38 -2.243 -11.817 -8.114 297 1HH2 ARG 38 2HH1 ARG 38 -4.954 -9.697 -7.697 298 2HH2 ARG 38 1HH1 ARG 38 -3.545 -10.047 -8.641 299 H ILE 39 H ILE 39 -1.871 -7.440 -2.384 300 HA ILE 39 HA ILE 39 -3.370 -5.564 -0.584 301 HB ILE 39 HB ILE 39 -0.412 -5.845 -1.205 302 1HG1 ILE 39 2HG1 ILE 39 -1.139 -6.248 1.548 303 2HG1 ILE 39 1HG1 ILE 39 -2.122 -7.306 0.535 304 1HG2 ILE 39 1HG2 ILE 39 -0.712 -3.583 -0.633 305 2HG2 ILE 39 2HG2 ILE 39 -0.334 -4.336 0.916 306 3HG2 ILE 39 3HG2 ILE 39 -2.005 -3.948 0.509 307 1HD1 ILE 39 1HD1 ILE 39 0.437 -7.458 -0.583 308 2HD1 ILE 39 2HD1 ILE 39 -0.339 -8.683 0.421 309 3HD1 ILE 39 3HD1 ILE 39 0.716 -7.477 1.158 310 H GLU 40 H GLU 40 -2.868 -3.201 -1.092 311 HA GLU 40 HA GLU 40 -2.334 -2.703 -3.988 312 1HB GLU 40 2HB GLU 40 -4.721 -2.910 -3.846 313 2HB GLU 40 1HB GLU 40 -4.778 -1.966 -2.357 314 1HG GLU 40 2HG GLU 40 -4.533 0.044 -3.456 315 2HG GLU 40 1HG GLU 40 -3.570 -0.663 -4.754 316 H ARG 41 H ARG 41 -1.040 -0.904 -4.230 317 HA ARG 41 HA ARG 41 -0.804 0.960 -1.888 318 1HB ARG 41 2HB ARG 41 1.575 1.237 -2.924 319 2HB ARG 41 1HB ARG 41 1.224 -0.240 -2.028 320 1HG ARG 41 2HG ARG 41 2.362 -0.719 -4.181 321 2HG ARG 41 1HG ARG 41 0.746 -1.425 -4.123 322 1HD ARG 41 2HD ARG 41 -0.161 0.291 -5.530 323 2HD ARG 41 1HD ARG 41 1.300 1.287 -5.365 324 HE ARG 41 HE ARG 41 2.487 -0.275 -6.777 325 1HH1 ARG 41 1HH2 ARG 41 0.935 -2.715 -5.749 326 2HH1 ARG 41 2HH2 ARG 41 0.088 -3.187 -7.184 327 1HH2 ARG 41 2HH1 ARG 41 0.649 -0.183 -8.821 328 2HH2 ARG 41 1HH1 ARG 41 -0.073 -1.754 -8.924 329 H GLY 42 H GLY 42 0.759 2.902 -3.164 330 1HA GLY 42 2HA GLY 42 0.438 3.965 -5.566 331 2HA GLY 42 1HA GLY 42 -1.241 4.060 -5.032 332 H CYS 43 H CYS 43 -1.561 6.216 -4.637 333 HA CYS 43 HA CYS 43 0.169 7.485 -2.561 334 1HB CYS 43 2HB CYS 43 -0.657 8.861 -5.131 335 2HB CYS 43 1HB CYS 43 0.534 9.407 -3.950 336 H ALA 44 H ALA 44 -1.299 8.023 -0.981 337 HA ALA 44 HA ALA 44 -3.650 9.656 -1.697 338 1HB ALA 44 1HB ALA 44 -3.704 6.774 -1.065 339 2HB ALA 44 2HB ALA 44 -4.903 7.762 -1.900 340 3HB ALA 44 3HB ALA 44 -4.852 7.741 -0.138 341 H ALA 45 H ALA 45 -4.991 9.841 0.569 342 HA ALA 45 HA ALA 45 -3.153 9.918 2.897 343 1HB ALA 45 1HB ALA 45 -2.643 12.077 2.419 344 2HB ALA 45 2HB ALA 45 -4.303 12.456 2.880 345 3HB ALA 45 3HB ALA 45 -3.901 12.172 1.187 346 H THR 46 H THR 46 -5.918 8.835 1.863 347 HA THR 46 HA THR 46 -7.712 9.951 3.954 348 HB THR 46 HB THR 46 -8.381 7.792 1.964 349 HG1 THR 46 HG1 THR 46 -7.543 9.183 0.576 350 1HG2 THR 46 1HG2 THR 46 -10.017 8.597 3.699 351 2HG2 THR 46 2HG2 THR 46 -10.568 8.817 2.037 352 3HG2 THR 46 3HG2 THR 46 -9.943 10.192 2.949 353 H CYS 47 H CYS 47 -6.003 6.985 3.086 354 HA CYS 47 HA CYS 47 -5.957 4.865 4.140 355 1HB CYS 47 2HB CYS 47 -5.754 6.649 6.569 356 2HB CYS 47 1HB CYS 47 -4.889 5.158 6.227 357 HA PRO 48 HA PRO 48 -10.320 4.941 5.609 358 1HB PRO 48 2HB PRO 48 -11.089 2.739 4.176 359 2HB PRO 48 1HB PRO 48 -11.099 4.381 3.503 360 1HG PRO 48 2HG PRO 48 -9.112 2.197 3.134 361 2HG PRO 48 1HG PRO 48 -9.716 3.384 1.967 362 1HD PRO 48 2HD PRO 48 -7.294 3.582 3.213 363 2HD PRO 48 1HD PRO 48 -8.215 4.982 2.620 364 H LYS 49 H LYS 49 -11.523 2.556 6.189 365 HA LYS 49 HA LYS 49 -9.553 1.226 8.016 366 1HB LYS 49 2HB LYS 49 -12.550 1.681 8.139 367 2HB LYS 49 1HB LYS 49 -11.663 0.708 9.313 368 1HG LYS 49 2HG LYS 49 -10.959 2.546 10.404 369 2HG LYS 49 1HG LYS 49 -10.351 3.259 8.910 370 1HD LYS 49 2HD LYS 49 -12.173 4.598 10.052 371 2HD LYS 49 1HD LYS 49 -12.510 4.175 8.373 372 1HE LYS 49 2HE LYS 49 -14.245 2.790 8.942 373 2HE LYS 49 1HE LYS 49 -13.413 2.189 10.390 374 1HZ LYS 49 1HZ LYS 49 -14.486 4.945 10.124 375 2HZ LYS 49 2HZ LYS 49 -13.858 4.219 11.525 376 3HZ LYS 49 3HZ LYS 49 -15.332 3.681 10.874 377 H GLY 50 H GLY 50 -10.592 -1.104 8.608 378 1HA GLY 50 2HA GLY 50 -11.224 -2.423 5.995 379 2HA GLY 50 1HA GLY 50 -10.211 -3.174 7.230 380 H SER 51 H SER 51 -11.716 -4.983 7.286 381 HA SER 51 HA SER 51 -13.875 -4.575 9.237 382 1HB SER 51 2HB SER 51 -14.581 -4.033 6.737 383 2HB SER 51 1HB SER 51 -14.684 -5.787 6.615 384 HG SER 51 HG SER 51 -16.299 -4.003 7.920 385 H VAL 52 H VAL 52 -15.235 -6.983 8.835 386 HA VAL 52 HA VAL 52 -13.563 -8.919 10.045 387 HB VAL 52 HB VAL 52 -16.056 -9.191 8.335 388 1HG1 VAL 52 1HG1 VAL 52 -16.369 -11.351 9.417 389 2HG1 VAL 52 2HG1 VAL 52 -14.909 -11.118 10.379 390 3HG1 VAL 52 3HG1 VAL 52 -14.790 -11.331 8.631 391 1HG2 VAL 52 1HG2 VAL 52 -16.855 -9.527 10.896 392 2HG2 VAL 52 2HG2 VAL 52 -16.819 -7.949 10.111 393 3HG2 VAL 52 3HG2 VAL 52 -15.490 -8.442 11.160 394 H TYR 53 H TYR 53 -14.159 -8.223 6.630 395 HA TYR 53 HA TYR 53 -13.138 -10.572 5.431 396 1HB TYR 53 2HB TYR 53 -13.492 -7.701 4.761 397 2HB TYR 53 1HB TYR 53 -12.362 -8.589 3.738 398 HD1 TYR 53 HD1 TYR 53 -13.120 -10.657 2.542 399 HD2 TYR 53 HD2 TYR 53 -15.850 -8.101 4.652 400 HE1 TYR 53 HE1 TYR 53 -15.022 -11.696 1.338 401 HE2 TYR 53 HE2 TYR 53 -17.754 -9.140 3.450 402 HH TYR 53 HH TYR 53 -18.043 -11.623 2.266 403 H GLY 54 H GLY 54 -11.410 -7.690 6.626 404 1HA GLY 54 2HA GLY 54 -9.182 -8.081 7.676 405 2HA GLY 54 1HA GLY 54 -8.871 -9.257 6.397 406 H LEU 55 H LEU 55 -9.726 -5.799 6.757 407 HA LEU 55 HA LEU 55 -8.129 -5.241 4.288 408 1HB LEU 55 2HB LEU 55 -10.634 -4.333 5.446 409 2HB LEU 55 1HB LEU 55 -9.569 -2.967 5.111 410 HG LEU 55 HG LEU 55 -10.089 -5.148 3.083 411 1HD1 LEU 55 1HD1 LEU 55 -11.477 -2.968 2.183 412 2HD1 LEU 55 2HD1 LEU 55 -11.773 -2.868 3.919 413 3HD1 LEU 55 3HD1 LEU 55 -12.214 -4.327 3.032 414 1HD2 LEU 55 1HD2 LEU 55 -8.421 -2.784 3.249 415 2HD2 LEU 55 2HD2 LEU 55 -9.560 -2.637 1.911 416 3HD2 LEU 55 3HD2 LEU 55 -8.468 -4.020 1.991 417 H TYR 56 H TYR 56 -6.022 -5.046 5.180 418 HA TYR 56 HA TYR 56 -5.569 -3.391 7.577 419 1HB TYR 56 2HB TYR 56 -4.370 -5.567 6.572 420 2HB TYR 56 1HB TYR 56 -3.384 -4.342 5.772 421 HD1 TYR 56 HD1 TYR 56 -3.773 -2.236 8.034 422 HD2 TYR 56 HD2 TYR 56 -2.583 -6.363 8.031 423 HE1 TYR 56 HE1 TYR 56 -2.512 -1.874 10.138 424 HE2 TYR 56 HE2 TYR 56 -1.321 -6.001 10.135 425 HH TYR 56 HH TYR 56 -0.995 -4.568 11.856 426 H VAL 57 H VAL 57 -5.527 -1.186 7.353 427 HA VAL 57 HA VAL 57 -4.564 -0.033 4.758 428 HB VAL 57 HB VAL 57 -6.427 0.925 6.945 429 1HG1 VAL 57 1HG1 VAL 57 -6.039 3.058 6.343 430 2HG1 VAL 57 2HG1 VAL 57 -6.374 2.662 4.657 431 3HG1 VAL 57 3HG1 VAL 57 -4.736 2.505 5.292 432 1HG2 VAL 57 1HG2 VAL 57 -6.762 0.302 3.995 433 2HG2 VAL 57 2HG2 VAL 57 -8.016 1.029 5.000 434 3HG2 VAL 57 3HG2 VAL 57 -7.442 -0.602 5.348 435 H LEU 58 H LEU 58 -2.657 1.110 4.819 436 HA LEU 58 HA LEU 58 -1.813 2.458 7.317 437 1HB LEU 58 2HB LEU 58 -1.093 0.030 7.380 438 2HB LEU 58 1HB LEU 58 -0.092 0.360 5.964 439 HG LEU 58 HG LEU 58 0.999 2.221 7.286 440 1HD1 LEU 58 1HD1 LEU 58 -0.375 0.853 9.618 441 2HD1 LEU 58 2HD1 LEU 58 -0.877 2.405 8.947 442 3HD1 LEU 58 3HD1 LEU 58 0.710 2.241 9.697 443 1HD2 LEU 58 1HD2 LEU 58 2.133 0.453 8.905 444 2HD2 LEU 58 2HD2 LEU 58 2.359 0.338 7.159 445 3HD2 LEU 58 3HD2 LEU 58 1.178 -0.695 7.965 446 H CYS 59 H CYS 59 -1.051 4.423 6.660 447 HA CYS 59 HA CYS 59 0.150 4.646 3.921 448 1HB CYS 59 2HB CYS 59 -1.062 6.804 5.675 449 2HB CYS 59 1HB CYS 59 -0.700 6.909 3.953 450 H CYS 60 H CYS 60 2.205 5.590 3.743 451 HA CYS 60 HA CYS 60 3.539 6.374 6.321 452 1HB CYS 60 2HB CYS 60 4.066 4.275 4.464 453 2HB CYS 60 1HB CYS 60 5.364 5.444 4.323 454 H THR 61 H THR 61 5.513 7.802 5.894 455 HA THR 61 HA THR 61 5.430 9.351 3.396 456 HB THR 61 HB THR 61 5.370 11.391 5.146 457 HG1 THR 61 HG1 THR 61 4.238 10.900 6.911 458 1HG2 THR 61 1HG2 THR 61 3.785 10.629 3.187 459 2HG2 THR 61 2HG2 THR 61 3.205 11.780 4.392 460 3HG2 THR 61 3HG2 THR 61 2.752 10.080 4.507 461 H THR 62 H THR 62 7.322 10.764 3.184 462 HA THR 62 HA THR 62 9.587 11.342 3.463 463 HB THR 62 HB THR 62 9.044 10.458 6.310 464 HG1 THR 62 HG1 THR 62 8.399 12.771 4.849 465 1HG2 THR 62 1HG2 THR 62 11.237 11.854 4.920 466 2HG2 THR 62 2HG2 THR 62 11.249 10.982 6.453 467 3HG2 THR 62 3HG2 THR 62 10.675 12.648 6.391 468 H ASP 63 H ASP 63 11.594 10.352 3.312 469 HA ASP 63 HA ASP 63 12.958 8.483 2.725 470 1HB ASP 63 2HB ASP 63 12.159 8.134 5.629 471 2HB ASP 63 1HB ASP 63 13.550 7.348 4.881 472 H ASP 64 H ASP 64 11.960 7.061 1.259 473 HA ASP 64 HA ASP 64 10.904 5.050 0.569 474 1HB ASP 64 2HB ASP 64 12.517 4.283 2.366 475 2HB ASP 64 1HB ASP 64 11.174 4.355 3.508 476 H CYS 65 H CYS 65 9.598 5.267 3.921 477 HA CYS 65 HA CYS 65 6.991 4.544 3.481 478 1HB CYS 65 2HB CYS 65 8.494 6.335 5.298 479 2HB CYS 65 1HB CYS 65 6.755 6.610 5.261 480 H ASN 66 HN ASN 66 8.558 7.508 2.450 481 HA ASN 66 HA ASN 66 6.689 9.433 2.053 482 1HB ASN 66 2HB ASN 66 9.123 8.777 1.006 483 2HB ASN 66 1HB ASN 66 8.101 8.644 -0.426 484 1HD2 ASN 66 1HD2 ASN 66 9.413 10.640 -1.113 485 2HD2 ASN 66 2HD2 ASN 66 8.863 12.159 -0.597 Start of MODEL 14 1 1H MET 1 1H MET 1 13.755 10.117 0.881 2 2H MET 1 2H MET 1 13.586 9.118 -0.483 3 3H MET 1 3H MET 1 13.198 8.524 1.061 4 HA MET 1 HA MET 1 11.171 9.513 1.103 5 1HB MET 1 2HB MET 1 12.183 11.715 1.225 6 2HB MET 1 1HB MET 1 12.598 11.667 -0.489 7 1HG MET 1 2HG MET 1 10.502 12.255 -1.134 8 2HG MET 1 1HG MET 1 9.743 11.204 0.062 9 1HE MET 1 1HE MET 1 7.998 13.297 1.940 10 2HE MET 1 2HE MET 1 8.073 12.363 0.448 11 3HE MET 1 3HE MET 1 7.976 14.121 0.374 12 H LYS 2 H LYS 2 11.089 7.456 -0.352 13 HA LYS 2 HA LYS 2 10.007 8.265 -3.028 14 1HB LYS 2 2HB LYS 2 12.019 6.105 -2.339 15 2HB LYS 2 1HB LYS 2 11.187 6.181 -3.893 16 1HG LYS 2 2HG LYS 2 12.262 8.150 -4.526 17 2HG LYS 2 1HG LYS 2 12.594 8.623 -2.860 18 1HD LYS 2 2HD LYS 2 14.254 6.826 -2.658 19 2HD LYS 2 1HD LYS 2 13.902 6.299 -4.304 20 1HE LYS 2 2HE LYS 2 14.618 8.542 -5.146 21 2HE LYS 2 1HE LYS 2 15.071 8.983 -3.488 22 1HZ LYS 2 1HZ LYS 2 16.297 7.033 -5.288 23 2HZ LYS 2 2HZ LYS 2 16.241 6.635 -3.637 24 3HZ LYS 2 3HZ LYS 2 17.024 8.054 -4.144 25 H CYS 3 H CYS 3 9.210 5.801 -3.940 26 HA CYS 3 HA CYS 3 7.752 4.413 -1.755 27 1HB CYS 3 2HB CYS 3 6.570 6.148 -3.905 28 2HB CYS 3 1HB CYS 3 5.648 4.769 -3.308 29 H LYS 4 H LYS 4 8.292 2.321 -2.202 30 HA LYS 4 HA LYS 4 8.791 1.431 -4.968 31 1HB LYS 4 2HB LYS 4 9.531 -0.615 -3.807 32 2HB LYS 4 1HB LYS 4 10.242 0.816 -3.058 33 1HG LYS 4 2HG LYS 4 7.869 0.562 -1.684 34 2HG LYS 4 1HG LYS 4 8.327 -1.120 -1.948 35 1HD LYS 4 2HD LYS 4 10.220 0.970 -0.841 36 2HD LYS 4 1HD LYS 4 9.261 -0.110 0.172 37 1HE LYS 4 2HE LYS 4 10.769 -1.773 -0.122 38 2HE LYS 4 1HE LYS 4 10.612 -1.639 -1.885 39 1HZ LYS 4 1HZ LYS 4 12.473 -0.264 -0.078 40 2HZ LYS 4 2HZ LYS 4 11.949 0.553 -1.472 41 3HZ LYS 4 3HZ LYS 4 12.760 -0.934 -1.609 42 H ILE 5 H ILE 5 7.325 0.294 -6.183 43 HA ILE 5 HA ILE 5 4.752 -0.510 -4.884 44 HB ILE 5 HB ILE 5 5.562 -0.005 -7.768 45 1HG1 ILE 5 2HG1 ILE 5 3.603 1.605 -6.144 46 2HG1 ILE 5 1HG1 ILE 5 5.333 1.921 -6.005 47 1HG2 ILE 5 1HG2 ILE 5 3.391 -1.500 -6.730 48 2HG2 ILE 5 2HG2 ILE 5 3.629 -0.969 -8.395 49 3HG2 ILE 5 3HG2 ILE 5 2.726 0.043 -7.268 50 1HD1 ILE 5 1HD1 ILE 5 4.651 1.662 -8.785 51 2HD1 ILE 5 2HD1 ILE 5 5.310 3.064 -7.941 52 3HD1 ILE 5 3HD1 ILE 5 3.564 2.829 -8.032 53 H CYS 6 H CYS 6 4.832 -2.661 -4.303 54 HA CYS 6 HA CYS 6 5.851 -4.610 -6.337 55 1HB CYS 6 2HB CYS 6 6.654 -4.108 -3.508 56 2HB CYS 6 1HB CYS 6 6.588 -5.790 -4.035 57 H ASN 7 H ASN 7 5.341 -6.919 -4.858 58 HA ASN 7 HA ASN 7 2.359 -6.882 -4.726 59 1HB ASN 7 2HB ASN 7 3.747 -8.407 -6.247 60 2HB ASN 7 1HB ASN 7 4.256 -9.243 -4.779 61 1HD2 ASN 7 1HD2 ASN 7 1.412 -8.490 -6.793 62 2HD2 ASN 7 2HD2 ASN 7 0.423 -9.706 -6.143 63 H PHE 8 H PHE 8 1.632 -8.772 -3.068 64 HA PHE 8 HA PHE 8 2.099 -7.834 -0.431 65 1HB PHE 8 2HB PHE 8 0.144 -9.107 -0.985 66 2HB PHE 8 1HB PHE 8 1.113 -10.452 -1.587 67 HD1 PHE 8 HD1 PHE 8 0.631 -8.419 1.531 68 HD2 PHE 8 HD2 PHE 8 1.518 -12.262 -0.171 69 HE1 PHE 8 HE1 PHE 8 0.659 -9.418 3.801 70 HE2 PHE 8 HE2 PHE 8 1.546 -13.261 2.100 71 HZ PHE 8 HZ PHE 8 1.116 -11.838 4.085 72 H ASP 9 H ASP 9 4.278 -7.746 0.188 73 HA ASP 9 HA ASP 9 6.203 -8.647 1.241 74 1HB ASP 9 2HB ASP 9 4.356 -10.530 1.614 75 2HB ASP 9 1HB ASP 9 5.372 -11.417 0.478 76 H THR 10 H THR 10 5.253 -10.236 -1.831 77 HA THR 10 HA THR 10 8.082 -10.637 -2.564 78 HB THR 10 HB THR 10 6.880 -11.540 -4.661 79 HG1 THR 10 HG1 THR 10 4.580 -12.011 -3.858 80 1HG2 THR 10 1HG2 THR 10 6.058 -12.741 -2.006 81 2HG2 THR 10 2HG2 THR 10 7.670 -12.909 -2.700 82 3HG2 THR 10 3HG2 THR 10 6.274 -13.590 -3.536 83 H CYS 11 H CYS 11 9.077 -9.566 -4.351 84 HA CYS 11 HA CYS 11 7.745 -7.007 -5.162 85 1HB CYS 11 2HB CYS 11 10.385 -7.794 -4.226 86 2HB CYS 11 1HB CYS 11 10.490 -6.938 -5.763 87 H ARG 12 H ARG 12 6.757 -8.903 -6.708 88 HA ARG 12 HA ARG 12 8.409 -9.791 -8.907 89 1HB ARG 12 2HB ARG 12 5.423 -9.512 -8.465 90 2HB ARG 12 1HB ARG 12 6.125 -10.317 -9.869 91 1HG ARG 12 2HG ARG 12 7.451 -11.725 -8.148 92 2HG ARG 12 1HG ARG 12 6.281 -11.131 -6.969 93 1HD ARG 12 2HD ARG 12 4.845 -11.998 -9.303 94 2HD ARG 12 1HD ARG 12 5.942 -13.296 -8.787 95 HE ARG 12 HE ARG 12 4.686 -12.124 -6.486 96 1HH1 ARG 12 2HH1 ARG 12 2.710 -12.813 -8.915 97 2HH1 ARG 12 1HH1 ARG 12 2.046 -14.285 -8.289 98 1HH2 ARG 12 1HH2 ARG 12 4.429 -14.608 -5.789 99 2HH2 ARG 12 2HH2 ARG 12 3.020 -15.301 -6.521 100 H ALA 13 H ALA 13 6.912 -6.786 -8.169 101 HA ALA 13 HA ALA 13 6.901 -5.926 -11.024 102 1HB ALA 13 1HB ALA 13 5.471 -4.189 -10.259 103 2HB ALA 13 2HB ALA 13 6.038 -4.346 -8.596 104 3HB ALA 13 3HB ALA 13 5.000 -5.589 -9.295 105 H GLY 14 H GLY 14 7.842 -4.365 -7.936 106 1HA GLY 14 2HA GLY 14 9.868 -3.280 -7.376 107 2HA GLY 14 1HA GLY 14 10.549 -3.850 -8.900 108 H GLU 15 H GLU 15 7.571 -1.962 -8.489 109 HA GLU 15 HA GLU 15 8.700 0.078 -10.343 110 1HB GLU 15 2HB GLU 15 6.054 -1.005 -9.569 111 2HB GLU 15 1HB GLU 15 6.079 0.728 -9.898 112 1HG GLU 15 2HG GLU 15 5.793 0.014 -12.058 113 2HG GLU 15 1HG GLU 15 7.549 -0.137 -11.990 114 H LEU 16 H LEU 16 10.094 1.048 -8.630 115 HA LEU 16 HA LEU 16 8.597 2.459 -6.470 116 1HB LEU 16 2HB LEU 16 10.462 1.127 -5.731 117 2HB LEU 16 1HB LEU 16 11.510 1.802 -6.977 118 HG LEU 16 HG LEU 16 10.230 3.731 -5.102 119 1HD1 LEU 16 1HD1 LEU 16 11.828 1.482 -4.204 120 2HD1 LEU 16 2HD1 LEU 16 11.037 2.736 -3.248 121 3HD1 LEU 16 3HD1 LEU 16 12.660 3.004 -3.886 122 1HD2 LEU 16 1HD2 LEU 16 11.993 5.057 -5.736 123 2HD2 LEU 16 2HD2 LEU 16 12.030 3.954 -7.111 124 3HD2 LEU 16 3HD2 LEU 16 13.131 3.711 -5.755 125 H LYS 17 H LYS 17 8.601 4.702 -6.340 126 HA LYS 17 HA LYS 17 10.231 6.278 -8.248 127 1HB LYS 17 2HB LYS 17 7.752 5.449 -8.975 128 2HB LYS 17 1HB LYS 17 7.329 6.931 -8.115 129 1HG LYS 17 2HG LYS 17 8.818 8.236 -9.520 130 2HG LYS 17 1HG LYS 17 9.416 6.776 -10.308 131 1HD LYS 17 2HD LYS 17 7.185 6.323 -11.219 132 2HD LYS 17 1HD LYS 17 6.542 7.740 -10.388 133 1HE LYS 17 2HE LYS 17 7.269 9.123 -12.033 134 2HE LYS 17 1HE LYS 17 8.893 8.407 -11.994 135 1HZ LYS 17 1HZ LYS 17 6.598 6.935 -13.133 136 2HZ LYS 17 2HZ LYS 17 8.258 6.680 -13.394 137 3HZ LYS 17 3HZ LYS 17 7.483 8.027 -14.081 138 H VAL 18 H VAL 18 8.213 8.509 -7.617 139 HA VAL 18 HA VAL 18 9.155 9.035 -4.822 140 HB VAL 18 HB VAL 18 9.176 11.409 -5.607 141 1HG1 VAL 18 1HG1 VAL 18 11.269 11.186 -6.572 142 2HG1 VAL 18 2HG1 VAL 18 10.745 9.886 -7.643 143 3HG1 VAL 18 3HG1 VAL 18 11.068 9.550 -5.942 144 1HG2 VAL 18 1HG2 VAL 18 7.478 10.522 -7.548 145 2HG2 VAL 18 2HG2 VAL 18 9.001 10.557 -8.436 146 3HG2 VAL 18 3HG2 VAL 18 8.395 12.023 -7.666 147 H CYS 19 H CYS 19 7.668 11.066 -4.022 148 HA CYS 19 HA CYS 19 4.940 11.238 -4.821 149 1HB CYS 19 2HB CYS 19 5.749 8.846 -3.370 150 2HB CYS 19 1HB CYS 19 4.493 9.727 -2.500 151 H ALA 20 H ALA 20 3.673 11.513 -2.335 152 HA ALA 20 HA ALA 20 3.405 13.176 -0.669 153 1HB ALA 20 1HB ALA 20 5.833 11.639 -0.338 154 2HB ALA 20 2HB ALA 20 4.733 12.243 0.901 155 3HB ALA 20 3HB ALA 20 6.050 13.260 0.321 156 H SER 21 H SER 21 4.232 14.127 -3.373 157 HA SER 21 HA SER 21 6.251 16.001 -3.551 158 1HB SER 21 2HB SER 21 4.987 16.844 -5.304 159 2HB SER 21 1HB SER 21 4.135 15.325 -5.035 160 HG SER 21 HG SER 21 2.462 16.510 -4.607 161 H GLY 22 H GLY 22 3.372 16.200 -1.545 162 1HA GLY 22 2HA GLY 22 4.523 18.449 -0.069 163 2HA GLY 22 1HA GLY 22 3.057 18.863 -0.959 164 H GLU 23 H GLU 23 1.071 17.777 -0.383 165 HA GLU 23 HA GLU 23 1.074 16.826 2.448 166 1HB GLU 23 2HB GLU 23 -1.185 17.725 0.629 167 2HB GLU 23 1HB GLU 23 -1.275 17.497 2.376 168 1HG GLU 23 2HG GLU 23 0.849 19.326 1.370 169 2HG GLU 23 1HG GLU 23 -0.816 19.904 1.266 170 H LYS 24 H LYS 24 1.516 15.326 -0.324 171 HA LYS 24 HA LYS 24 -0.673 13.363 -0.298 172 1HB LYS 24 2HB LYS 24 0.398 14.115 -2.374 173 2HB LYS 24 1HB LYS 24 1.966 13.563 -1.788 174 1HG LYS 24 2HG LYS 24 1.494 11.361 -2.185 175 2HG LYS 24 1HG LYS 24 -0.210 11.545 -1.767 176 1HD LYS 24 2HD LYS 24 -0.240 11.165 -4.099 177 2HD LYS 24 1HD LYS 24 -0.397 12.915 -3.952 178 1HE LYS 24 2HE LYS 24 2.404 12.224 -3.971 179 2HE LYS 24 1HE LYS 24 1.603 11.502 -5.381 180 1HZ LYS 24 1HZ LYS 24 1.056 14.282 -4.528 181 2HZ LYS 24 2HZ LYS 24 0.719 13.553 -6.026 182 3HZ LYS 24 3HZ LYS 24 2.322 13.916 -5.595 183 H TYR 25 H TYR 25 -0.528 11.267 0.537 184 HA TYR 25 HA TYR 25 1.980 10.601 2.052 185 1HB TYR 25 2HB TYR 25 -0.646 11.041 2.921 186 2HB TYR 25 1HB TYR 25 -0.475 9.287 2.921 187 HD1 TYR 25 HD1 TYR 25 1.947 12.067 3.613 188 HD2 TYR 25 HD2 TYR 25 -0.035 8.556 5.093 189 HE1 TYR 25 HE1 TYR 25 3.276 12.197 5.703 190 HE2 TYR 25 HE2 TYR 25 1.294 8.685 7.182 191 HH TYR 25 HH TYR 25 2.778 11.263 8.255 192 H CYS 26 H CYS 26 2.808 8.514 1.741 193 HA CYS 26 HA CYS 26 1.721 6.963 -0.517 194 1HB CYS 26 2HB CYS 26 4.219 7.478 0.536 195 2HB CYS 26 1HB CYS 26 3.906 5.845 1.126 196 H PHE 27 H PHE 27 -0.008 5.634 -0.055 197 HA PHE 27 HA PHE 27 -0.042 4.250 2.603 198 1HB PHE 27 2HB PHE 27 -2.427 4.321 2.410 199 2HB PHE 27 1HB PHE 27 -1.859 5.908 1.892 200 HD1 PHE 27 HD1 PHE 27 -3.383 2.744 0.835 201 HD2 PHE 27 HD2 PHE 27 -1.833 6.521 -0.500 202 HE1 PHE 27 HE1 PHE 27 -4.475 2.413 -1.367 203 HE2 PHE 27 HE2 PHE 27 -2.925 6.190 -2.702 204 HZ PHE 27 HZ PHE 27 -4.246 4.136 -3.136 205 H LYS 28 H LYS 28 -0.928 2.028 2.578 206 HA LYS 28 HA LYS 28 -0.646 0.617 -0.046 207 1HB LYS 28 2HB LYS 28 0.559 -1.166 1.380 208 2HB LYS 28 1HB LYS 28 1.457 0.313 1.037 209 1HG LYS 28 2HG LYS 28 0.695 1.231 3.235 210 2HG LYS 28 1HG LYS 28 -0.061 -0.323 3.583 211 1HD LYS 28 2HD LYS 28 1.925 -1.321 4.050 212 2HD LYS 28 1HD LYS 28 2.745 -0.520 2.710 213 1HE LYS 28 2HE LYS 28 1.951 1.047 5.167 214 2HE LYS 28 1HE LYS 28 3.475 0.140 5.116 215 1HZ LYS 28 1HZ LYS 28 3.818 2.363 4.260 216 2HZ LYS 28 2HZ LYS 28 2.566 2.158 3.130 217 3HZ LYS 28 3HZ LYS 28 3.989 1.236 3.003 218 H GLU 29 H GLU 29 -2.647 -0.301 -0.352 219 HA GLU 29 HA GLU 29 -4.210 -1.190 2.027 220 1HB GLU 29 2HB GLU 29 -4.769 -0.430 -0.825 221 2HB GLU 29 1HB GLU 29 -5.940 -1.422 0.045 222 1HG GLU 29 2HG GLU 29 -5.348 0.533 1.893 223 2HG GLU 29 1HG GLU 29 -5.293 1.426 0.373 224 H SER 30 H SER 30 -5.581 -3.266 1.472 225 HA SER 30 HA SER 30 -4.187 -5.220 -0.245 226 1HB SER 30 2HB SER 30 -2.811 -5.334 1.712 227 2HB SER 30 1HB SER 30 -4.210 -5.276 2.780 228 HG SER 30 HG SER 30 -4.100 -7.327 0.896 229 H TRP 31 H TRP 31 -5.476 -7.124 -0.578 230 HA TRP 31 HA TRP 31 -8.306 -6.856 0.374 231 1HB TRP 31 2HB TRP 31 -7.028 -8.007 -2.122 232 2HB TRP 31 1HB TRP 31 -8.739 -8.200 -1.742 233 HD1 TRP 31 HD1 TRP 31 -6.810 -6.181 -3.871 234 HE1 TRP 31 HE1 TRP 31 -7.794 -3.823 -4.212 235 HE3 TRP 31 HE3 TRP 31 -10.048 -5.995 0.074 236 HZ2 TRP 31 HZ2 TRP 31 -9.700 -2.086 -2.976 237 HZ3 TRP 31 HZ3 TRP 31 -11.434 -3.979 0.469 238 HH2 TRP 31 HH2 TRP 31 -11.264 -2.026 -1.050 239 H ARG 32 H ARG 32 -8.765 -8.348 1.942 240 HA ARG 32 HA ARG 32 -7.236 -10.909 1.999 241 1HB ARG 32 2HB ARG 32 -7.956 -9.022 3.904 242 2HB ARG 32 1HB ARG 32 -9.123 -10.320 4.166 243 1HG ARG 32 2HG ARG 32 -6.190 -10.931 3.846 244 2HG ARG 32 1HG ARG 32 -6.848 -10.459 5.413 245 1HD ARG 32 2HD ARG 32 -8.643 -12.311 4.941 246 2HD ARG 32 1HD ARG 32 -7.443 -12.923 3.786 247 HE ARG 32 HE ARG 32 -6.118 -12.297 6.239 248 1HH1 ARG 32 2HH1 ARG 32 -8.733 -14.304 5.314 249 2HH1 ARG 32 1HH1 ARG 32 -8.154 -15.697 6.166 250 1HH2 ARG 32 1HH2 ARG 32 -5.190 -14.188 7.152 251 2HH2 ARG 32 2HH2 ARG 32 -6.146 -15.631 7.204 252 H GLU 33 H GLU 33 -8.259 -12.536 0.885 253 HA GLU 33 HA GLU 33 -11.238 -12.765 1.173 254 1HB GLU 33 2HB GLU 33 -9.384 -13.214 -1.179 255 2HB GLU 33 1HB GLU 33 -11.051 -13.790 -1.163 256 1HG GLU 33 2HG GLU 33 -11.579 -11.745 -1.983 257 2HG GLU 33 1HG GLU 33 -11.323 -11.173 -0.335 258 H ALA 34 H ALA 34 -11.446 -15.281 -0.083 259 HA ALA 34 HA ALA 34 -10.076 -17.020 1.930 260 1HB ALA 34 1HB ALA 34 -11.982 -18.581 1.213 261 2HB ALA 34 2HB ALA 34 -12.619 -17.214 0.301 262 3HB ALA 34 3HB ALA 34 -12.465 -17.109 2.055 263 H ARG 35 H ARG 35 -9.459 -16.029 -1.096 264 HA ARG 35 HA ARG 35 -8.467 -18.728 -1.953 265 1HB ARG 35 2HB ARG 35 -10.053 -16.611 -3.349 266 2HB ARG 35 1HB ARG 35 -8.889 -17.529 -4.305 267 1HG ARG 35 2HG ARG 35 -10.775 -18.989 -2.478 268 2HG ARG 35 1HG ARG 35 -11.349 -18.425 -4.048 269 1HD ARG 35 2HD ARG 35 -9.138 -19.559 -4.945 270 2HD ARG 35 1HD ARG 35 -9.253 -20.488 -3.437 271 HE ARG 35 HE ARG 35 -11.783 -20.730 -4.279 272 1HH1 ARG 35 1HH2 ARG 35 -10.275 -19.767 -6.926 273 2HH1 ARG 35 2HH2 ARG 35 -10.257 -21.276 -7.776 274 1HH2 ARG 35 2HH1 ARG 35 -11.147 -23.153 -4.998 275 2HH2 ARG 35 1HH1 ARG 35 -10.749 -23.193 -6.684 276 H GLY 36 H GLY 36 -7.492 -15.818 -0.836 277 1HA GLY 36 2HA GLY 36 -4.854 -15.819 -1.119 278 2HA GLY 36 1HA GLY 36 -5.286 -15.435 -2.786 279 H THR 37 H THR 37 -3.858 -13.755 -0.806 280 HA THR 37 HA THR 37 -5.821 -11.523 -0.449 281 HB THR 37 HB THR 37 -3.048 -11.841 0.729 282 HG1 THR 37 HG1 THR 37 -4.141 -12.742 2.517 283 1HG2 THR 37 1HG2 THR 37 -4.418 -9.625 0.734 284 2HG2 THR 37 2HG2 THR 37 -3.699 -10.175 2.247 285 3HG2 THR 37 3HG2 THR 37 -5.416 -10.436 1.941 286 H ARG 38 H ARG 38 -5.172 -9.384 -1.141 287 HA ARG 38 HA ARG 38 -2.906 -9.346 -3.109 288 1HB ARG 38 2HB ARG 38 -5.776 -8.786 -3.341 289 2HB ARG 38 1HB ARG 38 -4.773 -7.470 -3.953 290 1HG ARG 38 2HG ARG 38 -3.542 -9.811 -4.891 291 2HG ARG 38 1HG ARG 38 -5.271 -10.081 -5.119 292 1HD ARG 38 2HD ARG 38 -3.847 -7.550 -6.010 293 2HD ARG 38 1HD ARG 38 -4.179 -8.926 -7.080 294 HE ARG 38 HE ARG 38 -6.332 -7.418 -5.640 295 1HH1 ARG 38 1HH2 ARG 38 -6.638 -10.215 -7.004 296 2HH1 ARG 38 2HH2 ARG 38 -7.418 -9.739 -8.476 297 1HH2 ARG 38 2HH1 ARG 38 -6.677 -6.373 -8.092 298 2HH2 ARG 38 1HH1 ARG 38 -7.440 -7.563 -9.091 299 H ILE 39 H ILE 39 -2.126 -7.051 -3.507 300 HA ILE 39 HA ILE 39 -2.571 -5.251 -1.160 301 HB ILE 39 HB ILE 39 -0.525 -6.801 -1.025 302 1HG1 ILE 39 2HG1 ILE 39 -0.250 -3.783 -0.958 303 2HG1 ILE 39 1HG1 ILE 39 -0.645 -4.851 0.389 304 1HG2 ILE 39 1HG2 ILE 39 1.422 -6.103 -2.363 305 2HG2 ILE 39 2HG2 ILE 39 0.429 -4.901 -3.189 306 3HG2 ILE 39 3HG2 ILE 39 0.100 -6.620 -3.411 307 1HD1 ILE 39 1HD1 ILE 39 1.588 -5.942 0.123 308 2HD1 ILE 39 2HD1 ILE 39 1.707 -4.231 0.537 309 3HD1 ILE 39 3HD1 ILE 39 1.982 -4.757 -1.123 310 H GLU 40 H GLU 40 -2.497 -3.045 -1.702 311 HA GLU 40 HA GLU 40 -1.908 -2.398 -4.574 312 1HB GLU 40 2HB GLU 40 -4.206 -1.781 -2.751 313 2HB GLU 40 1HB GLU 40 -3.771 -0.591 -3.978 314 1HG GLU 40 2HG GLU 40 -3.888 -2.406 -5.702 315 2HG GLU 40 1HG GLU 40 -4.482 -3.499 -4.452 316 H ARG 41 H ARG 41 -0.603 -0.604 -4.880 317 HA ARG 41 HA ARG 41 0.271 0.870 -2.421 318 1HB ARG 41 2HB ARG 41 1.660 0.580 -5.100 319 2HB ARG 41 1HB ARG 41 2.372 1.137 -3.586 320 1HG ARG 41 2HG ARG 41 2.983 -1.004 -3.218 321 2HG ARG 41 1HG ARG 41 1.275 -1.345 -2.939 322 1HD ARG 41 2HD ARG 41 1.736 -1.243 -5.778 323 2HD ARG 41 1HD ARG 41 2.902 -2.356 -5.038 324 HE ARG 41 HE ARG 41 0.531 -2.971 -3.756 325 1HH1 ARG 41 2HH1 ARG 41 -0.323 -1.910 -6.619 326 2HH1 ARG 41 1HH1 ARG 41 -0.613 -3.431 -7.396 327 1HH2 ARG 41 1HH2 ARG 41 0.966 -5.292 -4.934 328 2HH2 ARG 41 2HH2 ARG 41 0.116 -5.344 -6.442 329 H GLY 42 H GLY 42 1.256 3.152 -3.293 330 1HA GLY 42 2HA GLY 42 0.646 4.776 -5.248 331 2HA GLY 42 1HA GLY 42 -1.011 4.447 -4.735 332 H CYS 43 H CYS 43 -0.445 7.020 -4.587 333 HA CYS 43 HA CYS 43 0.150 7.514 -1.687 334 1HB CYS 43 2HB CYS 43 0.788 9.327 -4.032 335 2HB CYS 43 1HB CYS 43 1.335 9.507 -2.366 336 H ALA 44 H ALA 44 -1.609 8.402 -0.681 337 HA ALA 44 HA ALA 44 -3.339 10.302 -2.191 338 1HB ALA 44 1HB ALA 44 -3.927 7.566 -1.598 339 2HB ALA 44 2HB ALA 44 -4.976 8.758 -2.365 340 3HB ALA 44 3HB ALA 44 -4.985 8.573 -0.611 341 H ALA 45 H ALA 45 -5.297 10.606 -0.220 342 HA ALA 45 HA ALA 45 -3.743 11.385 2.225 343 1HB ALA 45 1HB ALA 45 -5.023 13.498 2.188 344 2HB ALA 45 2HB ALA 45 -5.859 12.966 0.730 345 3HB ALA 45 3HB ALA 45 -4.126 13.289 0.684 346 H THR 46 H THR 46 -6.280 9.592 0.999 347 HA THR 46 HA THR 46 -8.019 9.959 3.397 348 HB THR 46 HB THR 46 -9.632 8.683 2.010 349 HG1 THR 46 HG1 THR 46 -7.633 8.746 0.013 350 1HG2 THR 46 1HG2 THR 46 -9.926 10.355 0.254 351 2HG2 THR 46 2HG2 THR 46 -8.254 10.883 0.446 352 3HG2 THR 46 3HG2 THR 46 -9.419 11.149 1.745 353 H CYS 47 H CYS 47 -7.830 8.483 5.035 354 HA CYS 47 HA CYS 47 -6.522 5.856 4.426 355 1HB CYS 47 2HB CYS 47 -6.661 7.606 6.898 356 2HB CYS 47 1HB CYS 47 -5.969 5.986 6.898 357 HA PRO 48 HA PRO 48 -10.857 4.845 5.550 358 1HB PRO 48 2HB PRO 48 -11.052 2.726 3.828 359 2HB PRO 48 1HB PRO 48 -11.366 4.402 3.336 360 1HG PRO 48 2HG PRO 48 -8.949 2.724 2.903 361 2HG PRO 48 1HG PRO 48 -9.710 3.909 1.830 362 1HD PRO 48 2HD PRO 48 -7.463 4.415 3.304 363 2HD PRO 48 1HD PRO 48 -8.607 5.670 2.778 364 H LYS 49 H LYS 49 -11.620 2.316 5.918 365 HA LYS 49 HA LYS 49 -9.378 0.917 7.334 366 1HB LYS 49 2HB LYS 49 -11.855 2.135 8.322 367 2HB LYS 49 1HB LYS 49 -11.679 0.454 8.823 368 1HG LYS 49 2HG LYS 49 -10.051 0.982 10.289 369 2HG LYS 49 1HG LYS 49 -9.161 1.885 9.062 370 1HD LYS 49 2HD LYS 49 -9.776 3.427 10.826 371 2HD LYS 49 1HD LYS 49 -10.758 3.796 9.409 372 1HE LYS 49 2HE LYS 49 -12.696 2.795 10.347 373 2HE LYS 49 1HE LYS 49 -11.752 1.925 11.572 374 1HZ LYS 49 1HZ LYS 49 -12.243 4.840 11.376 375 2HZ LYS 49 2HZ LYS 49 -10.983 4.200 12.318 376 3HZ LYS 49 3HZ LYS 49 -12.598 3.806 12.672 377 H GLY 50 H GLY 50 -10.751 -1.289 8.224 378 1HA GLY 50 2HA GLY 50 -12.247 -2.390 5.906 379 2HA GLY 50 1HA GLY 50 -10.781 -3.229 6.415 380 H SER 51 H SER 51 -11.912 -5.116 7.079 381 HA SER 51 HA SER 51 -13.612 -4.749 9.528 382 1HB SER 51 2HB SER 51 -14.561 -5.565 7.204 383 2HB SER 51 1HB SER 51 -13.823 -7.097 7.663 384 HG SER 51 HG SER 51 -15.567 -7.355 8.801 385 H VAL 52 H VAL 52 -13.728 -7.231 10.516 386 HA VAL 52 HA VAL 52 -11.300 -7.727 11.828 387 HB VAL 52 HB VAL 52 -12.355 -10.061 12.105 388 1HG1 VAL 52 1HG1 VAL 52 -13.225 -7.442 12.983 389 2HG1 VAL 52 2HG1 VAL 52 -13.189 -8.957 13.884 390 3HG1 VAL 52 3HG1 VAL 52 -14.596 -8.548 12.901 391 1HG2 VAL 52 1HG2 VAL 52 -14.406 -10.528 11.081 392 2HG2 VAL 52 2HG2 VAL 52 -13.551 -9.680 9.792 393 3HG2 VAL 52 3HG2 VAL 52 -14.749 -8.826 10.767 394 H TYR 53 H TYR 53 -12.197 -8.535 8.568 395 HA TYR 53 HA TYR 53 -9.529 -9.398 7.881 396 1HB TYR 53 2HB TYR 53 -11.472 -11.334 8.918 397 2HB TYR 53 1HB TYR 53 -10.827 -11.796 7.343 398 HD1 TYR 53 HD1 TYR 53 -10.340 -12.599 10.538 399 HD2 TYR 53 HD2 TYR 53 -8.112 -10.758 7.360 400 HE1 TYR 53 HE1 TYR 53 -8.220 -13.310 11.612 401 HE2 TYR 53 HE2 TYR 53 -5.993 -11.470 8.434 402 HH TYR 53 HH TYR 53 -5.699 -13.780 10.565 403 H GLY 54 H GLY 54 -10.693 -7.565 6.479 404 1HA GLY 54 2HA GLY 54 -11.908 -8.940 4.115 405 2HA GLY 54 1HA GLY 54 -12.482 -7.365 4.665 406 H LEU 55 H LEU 55 -10.261 -5.919 5.121 407 HA LEU 55 HA LEU 55 -8.345 -6.228 2.894 408 1HB LEU 55 2HB LEU 55 -9.013 -4.147 1.826 409 2HB LEU 55 1HB LEU 55 -10.444 -5.167 1.982 410 HG LEU 55 HG LEU 55 -10.090 -3.580 4.373 411 1HD1 LEU 55 1HD1 LEU 55 -10.476 -1.363 3.381 412 2HD1 LEU 55 2HD1 LEU 55 -10.336 -2.052 1.764 413 3HD1 LEU 55 3HD1 LEU 55 -8.934 -2.020 2.833 414 1HD2 LEU 55 1HD2 LEU 55 -12.250 -4.346 4.024 415 2HD2 LEU 55 2HD2 LEU 55 -12.162 -4.110 2.278 416 3HD2 LEU 55 3HD2 LEU 55 -12.394 -2.725 3.345 417 H TYR 56 H TYR 56 -6.563 -4.671 3.091 418 HA TYR 56 HA TYR 56 -6.363 -3.493 5.844 419 1HB TYR 56 2HB TYR 56 -4.888 -5.477 4.730 420 2HB TYR 56 1HB TYR 56 -3.948 -4.078 4.209 421 HD1 TYR 56 HD1 TYR 56 -5.427 -5.740 7.201 422 HD2 TYR 56 HD2 TYR 56 -2.572 -2.887 5.732 423 HE1 TYR 56 HE1 TYR 56 -4.447 -5.551 9.472 424 HE2 TYR 56 HE2 TYR 56 -1.592 -2.698 8.002 425 HH TYR 56 HH TYR 56 -2.666 -4.785 10.647 426 H VAL 57 H VAL 57 -5.078 -1.473 5.967 427 HA VAL 57 HA VAL 57 -4.456 -0.032 3.486 428 HB VAL 57 HB VAL 57 -6.902 0.164 3.634 429 1HG1 VAL 57 1HG1 VAL 57 -6.516 0.070 6.347 430 2HG1 VAL 57 2HG1 VAL 57 -8.020 0.571 5.573 431 3HG1 VAL 57 3HG1 VAL 57 -6.853 1.783 6.101 432 1HG2 VAL 57 1HG2 VAL 57 -5.140 2.223 3.283 433 2HG2 VAL 57 2HG2 VAL 57 -6.134 2.855 4.596 434 3HG2 VAL 57 3HG2 VAL 57 -6.884 2.376 3.073 435 H LEU 58 H LEU 58 -2.481 0.741 4.165 436 HA LEU 58 HA LEU 58 -2.358 2.090 6.847 437 1HB LEU 58 2HB LEU 58 -1.029 -0.141 6.005 438 2HB LEU 58 1HB LEU 58 0.119 1.116 5.546 439 HG LEU 58 HG LEU 58 -1.026 1.527 8.214 440 1HD1 LEU 58 1HD1 LEU 58 0.792 -0.372 8.915 441 2HD1 LEU 58 2HD1 LEU 58 0.119 -1.098 7.456 442 3HD1 LEU 58 3HD1 LEU 58 -0.941 -0.678 8.802 443 1HD2 LEU 58 1HD2 LEU 58 1.101 2.326 8.650 444 2HD2 LEU 58 2HD2 LEU 58 1.093 2.484 6.894 445 3HD2 LEU 58 3HD2 LEU 58 1.880 1.099 7.652 446 H CYS 59 H CYS 59 -1.452 4.168 6.877 447 HA CYS 59 HA CYS 59 -0.732 5.325 4.205 448 1HB CYS 59 2HB CYS 59 -1.639 6.746 6.724 449 2HB CYS 59 1HB CYS 59 -1.599 7.394 5.084 450 H CYS 60 H CYS 60 1.204 6.516 4.037 451 HA CYS 60 HA CYS 60 2.821 7.100 6.430 452 1HB CYS 60 2HB CYS 60 3.092 4.669 4.866 453 2HB CYS 60 1HB CYS 60 4.568 5.625 4.792 454 H THR 61 H THR 61 5.289 7.327 5.038 455 HA THR 61 HA THR 61 4.772 9.076 2.722 456 HB THR 61 HB THR 61 4.589 10.419 4.831 457 HG1 THR 61 HG1 THR 61 6.987 11.216 3.665 458 1HG2 THR 61 1HG2 THR 61 6.654 8.824 5.695 459 2HG2 THR 61 2HG2 THR 61 6.155 10.330 6.466 460 3HG2 THR 61 3HG2 THR 61 7.488 10.330 5.311 461 H THR 62 H THR 62 7.013 9.874 1.871 462 HA THR 62 HA THR 62 9.026 9.137 0.862 463 HB THR 62 HB THR 62 10.638 8.424 2.749 464 HG1 THR 62 HG1 THR 62 9.427 9.190 4.801 465 1HG2 THR 62 1HG2 THR 62 11.032 10.633 3.023 466 2HG2 THR 62 2HG2 THR 62 9.427 10.920 3.697 467 3HG2 THR 62 3HG2 THR 62 9.655 10.878 1.949 468 H ASP 63 H ASP 63 10.727 7.029 1.435 469 HA ASP 63 HA ASP 63 9.682 4.828 0.069 470 1HB ASP 63 2HB ASP 63 12.073 5.428 0.761 471 2HB ASP 63 1HB ASP 63 11.707 4.663 2.308 472 H ASP 64 H ASP 64 7.781 3.832 0.656 473 HA ASP 64 HA ASP 64 6.264 2.560 1.954 474 1HB ASP 64 2HB ASP 64 9.026 1.931 2.819 475 2HB ASP 64 1HB ASP 64 7.750 1.404 3.918 476 H CYS 65 H CYS 65 8.506 3.542 4.592 477 HA CYS 65 HA CYS 65 6.396 5.318 5.707 478 1HB CYS 65 2HB CYS 65 7.453 2.733 6.815 479 2HB CYS 65 1HB CYS 65 6.997 4.013 7.938 480 H ASN 66 HN ASN 66 9.273 5.380 4.579 481 HA ASN 66 HA ASN 66 11.329 5.836 6.326 482 1HB ASN 66 2HB ASN 66 10.413 6.835 3.763 483 2HB ASN 66 1HB ASN 66 11.295 8.091 4.629 484 1HD2 ASN 66 1HD2 ASN 66 12.378 6.849 2.281 485 2HD2 ASN 66 2HD2 ASN 66 13.738 5.941 2.736 Start of MODEL 15 1 1H MET 1 1H MET 1 12.889 12.166 -1.134 2 2H MET 1 2H MET 1 12.577 12.768 -2.691 3 3H MET 1 3H MET 1 12.852 11.107 -2.458 4 HA MET 1 HA MET 1 10.775 11.468 -0.814 5 1HB MET 1 2HB MET 1 10.964 13.898 -1.753 6 2HB MET 1 1HB MET 1 10.205 13.224 -3.196 7 1HG MET 1 2HG MET 1 8.252 13.654 -2.117 8 2HG MET 1 1HG MET 1 8.624 12.188 -1.207 9 1HE MET 1 1HE MET 1 9.555 12.031 1.061 10 2HE MET 1 2HE MET 1 7.834 12.401 1.091 11 3HE MET 1 3HE MET 1 8.913 13.179 2.245 12 H LYS 2 H LYS 2 11.320 9.225 -1.780 13 HA LYS 2 HA LYS 2 9.591 8.754 -4.189 14 1HB LYS 2 2HB LYS 2 12.156 7.318 -3.435 15 2HB LYS 2 1HB LYS 2 11.250 7.144 -4.938 16 1HG LYS 2 2HG LYS 2 11.927 9.217 -5.748 17 2HG LYS 2 1HG LYS 2 12.224 9.866 -4.135 18 1HD LYS 2 2HD LYS 2 14.236 8.580 -3.893 19 2HD LYS 2 1HD LYS 2 13.880 7.639 -5.341 20 1HE LYS 2 2HE LYS 2 14.425 9.405 -6.784 21 2HE LYS 2 1HE LYS 2 14.152 10.636 -5.535 22 1HZ LYS 2 1HZ LYS 2 16.006 9.207 -4.335 23 2HZ LYS 2 2HZ LYS 2 16.401 10.485 -5.383 24 3HZ LYS 2 3HZ LYS 2 16.455 8.880 -5.938 25 H CYS 3 H CYS 3 8.812 6.423 -4.249 26 HA CYS 3 HA CYS 3 8.699 5.145 -1.548 27 1HB CYS 3 2HB CYS 3 6.734 6.779 -2.420 28 2HB CYS 3 1HB CYS 3 6.202 5.277 -3.173 29 H LYS 4 H LYS 4 9.017 2.953 -1.744 30 HA LYS 4 HA LYS 4 9.163 1.756 -4.439 31 1HB LYS 4 2HB LYS 4 10.827 1.472 -2.528 32 2HB LYS 4 1HB LYS 4 9.605 0.490 -1.721 33 1HG LYS 4 2HG LYS 4 9.861 -1.262 -3.167 34 2HG LYS 4 1HG LYS 4 10.163 -0.210 -4.549 35 1HD LYS 4 2HD LYS 4 12.420 -0.156 -4.187 36 2HD LYS 4 1HD LYS 4 12.239 -0.180 -2.433 37 1HE LYS 4 2HE LYS 4 11.538 -2.620 -2.644 38 2HE LYS 4 1HE LYS 4 12.068 -2.535 -4.336 39 1HZ LYS 4 1HZ LYS 4 13.979 -3.170 -3.178 40 2HZ LYS 4 2HZ LYS 4 13.669 -2.113 -1.884 41 3HZ LYS 4 3HZ LYS 4 14.175 -1.498 -3.385 42 H ILE 5 H ILE 5 7.559 0.480 -5.294 43 HA ILE 5 HA ILE 5 5.406 -0.494 -3.441 44 HB ILE 5 HB ILE 5 5.319 0.730 -6.208 45 1HG1 ILE 5 2HG1 ILE 5 3.350 1.676 -4.346 46 2HG1 ILE 5 1HG1 ILE 5 4.926 1.695 -3.553 47 1HG2 ILE 5 1HG2 ILE 5 3.840 -1.169 -6.317 48 2HG2 ILE 5 2HG2 ILE 5 2.833 0.257 -6.066 49 3HG2 ILE 5 3HG2 ILE 5 3.187 -0.822 -4.716 50 1HD1 ILE 5 1HD1 ILE 5 3.914 3.443 -5.630 51 2HD1 ILE 5 2HD1 ILE 5 5.399 2.650 -6.154 52 3HD1 ILE 5 3HD1 ILE 5 5.382 3.597 -4.667 53 H CYS 6 H CYS 6 4.531 -2.574 -3.962 54 HA CYS 6 HA CYS 6 5.399 -4.083 -6.296 55 1HB CYS 6 2HB CYS 6 6.750 -5.706 -4.865 56 2HB CYS 6 1HB CYS 6 7.488 -4.122 -5.101 57 H ASN 7 H ASN 7 4.367 -6.201 -6.343 58 HA ASN 7 HA ASN 7 2.546 -6.842 -4.073 59 1HB ASN 7 2HB ASN 7 0.641 -6.931 -5.631 60 2HB ASN 7 1HB ASN 7 1.376 -5.329 -5.660 61 1HD2 ASN 7 1HD2 ASN 7 1.614 -4.560 -7.755 62 2HD2 ASN 7 2HD2 ASN 7 1.929 -5.518 -9.121 63 H PHE 8 H PHE 8 1.110 -8.712 -5.927 64 HA PHE 8 HA PHE 8 1.330 -10.916 -6.757 65 1HB PHE 8 2HB PHE 8 3.308 -9.539 -7.889 66 2HB PHE 8 1HB PHE 8 4.304 -10.556 -6.847 67 HD1 PHE 8 HD1 PHE 8 1.098 -11.241 -8.664 68 HD2 PHE 8 HD2 PHE 8 5.243 -12.252 -8.163 69 HE1 PHE 8 HE1 PHE 8 0.828 -13.132 -10.246 70 HE2 PHE 8 HE2 PHE 8 4.973 -14.143 -9.745 71 HZ PHE 8 HZ PHE 8 2.766 -14.582 -10.786 72 H ASP 9 H ASP 9 0.964 -10.906 -4.137 73 HA ASP 9 HA ASP 9 1.233 -12.358 -2.285 74 1HB ASP 9 2HB ASP 9 2.128 -13.811 -4.281 75 2HB ASP 9 1HB ASP 9 3.708 -13.467 -3.578 76 H THR 10 H THR 10 4.279 -10.949 -3.565 77 HA THR 10 HA THR 10 4.844 -9.928 -0.833 78 HB THR 10 HB THR 10 5.934 -12.070 -0.852 79 HG1 THR 10 HG1 THR 10 7.881 -11.356 -0.375 80 1HG2 THR 10 1HG2 THR 10 7.756 -12.035 -2.961 81 2HG2 THR 10 2HG2 THR 10 6.261 -11.433 -3.677 82 3HG2 THR 10 3HG2 THR 10 6.285 -13.003 -2.873 83 H CYS 11 H CYS 11 7.491 -9.086 -1.428 84 HA CYS 11 HA CYS 11 6.911 -6.892 -3.360 85 1HB CYS 11 2HB CYS 11 7.715 -6.707 -0.873 86 2HB CYS 11 1HB CYS 11 9.298 -7.111 -1.537 87 H ARG 12 H ARG 12 7.305 -8.755 -5.061 88 HA ARG 12 HA ARG 12 10.220 -9.197 -5.531 89 1HB ARG 12 2HB ARG 12 7.648 -10.543 -6.176 90 2HB ARG 12 1HB ARG 12 8.913 -10.668 -7.398 91 1HG ARG 12 2HG ARG 12 9.934 -11.096 -4.691 92 2HG ARG 12 1HG ARG 12 8.687 -12.263 -5.134 93 1HD ARG 12 2HD ARG 12 9.926 -12.765 -7.238 94 2HD ARG 12 1HD ARG 12 11.206 -11.649 -6.722 95 HE ARG 12 HE ARG 12 11.037 -13.222 -4.535 96 1HH1 ARG 12 2HH1 ARG 12 9.628 -15.309 -6.184 97 2HH1 ARG 12 1HH1 ARG 12 10.951 -16.287 -6.725 98 1HH2 ARG 12 1HH2 ARG 12 13.363 -13.914 -5.964 99 2HH2 ARG 12 2HH2 ARG 12 13.067 -15.498 -6.600 100 H ALA 13 H ALA 13 7.715 -7.127 -6.467 101 HA ALA 13 HA ALA 13 8.433 -6.813 -9.283 102 1HB ALA 13 1HB ALA 13 6.558 -5.695 -7.278 103 2HB ALA 13 2HB ALA 13 6.266 -6.146 -8.958 104 3HB ALA 13 3HB ALA 13 7.012 -4.593 -8.578 105 H GLY 14 H GLY 14 8.681 -4.592 -6.471 106 1HA GLY 14 2HA GLY 14 10.457 -3.140 -5.895 107 2HA GLY 14 1HA GLY 14 11.390 -3.803 -7.239 108 H GLU 15 H GLU 15 8.148 -2.356 -7.378 109 HA GLU 15 HA GLU 15 9.148 -0.477 -9.456 110 1HB GLU 15 2HB GLU 15 6.812 -2.025 -8.976 111 2HB GLU 15 1HB GLU 15 6.324 -0.332 -8.907 112 1HG GLU 15 2HG GLU 15 7.866 -0.176 -11.076 113 2HG GLU 15 1HG GLU 15 7.456 -1.886 -11.194 114 H LEU 16 H LEU 16 10.126 1.216 -8.259 115 HA LEU 16 HA LEU 16 8.509 2.508 -6.108 116 1HB LEU 16 2HB LEU 16 10.756 1.943 -5.489 117 2HB LEU 16 1HB LEU 16 11.405 2.612 -6.987 118 HG LEU 16 HG LEU 16 9.821 4.529 -5.414 119 1HD1 LEU 16 1HD1 LEU 16 11.007 3.117 -3.655 120 2HD1 LEU 16 2HD1 LEU 16 11.399 4.836 -3.637 121 3HD1 LEU 16 3HD1 LEU 16 12.525 3.681 -4.352 122 1HD2 LEU 16 1HD2 LEU 16 12.612 5.152 -5.987 123 2HD2 LEU 16 2HD2 LEU 16 11.150 5.953 -6.561 124 3HD2 LEU 16 3HD2 LEU 16 11.775 4.542 -7.414 125 H LYS 17 H LYS 17 8.146 4.818 -6.200 126 HA LYS 17 HA LYS 17 8.802 6.241 -8.714 127 1HB LYS 17 2HB LYS 17 6.336 4.887 -8.216 128 2HB LYS 17 1HB LYS 17 6.013 6.621 -8.176 129 1HG LYS 17 2HG LYS 17 6.190 6.743 -10.413 130 2HG LYS 17 1HG LYS 17 7.808 6.043 -10.348 131 1HD LYS 17 2HD LYS 17 6.811 4.348 -11.518 132 2HD LYS 17 1HD LYS 17 6.329 3.820 -9.905 133 1HE LYS 17 2HE LYS 17 4.318 3.827 -11.231 134 2HE LYS 17 1HE LYS 17 4.234 5.287 -10.225 135 1HZ LYS 17 1HZ LYS 17 3.930 5.462 -12.799 136 2HZ LYS 17 2HZ LYS 17 5.630 5.411 -12.807 137 3HZ LYS 17 3HZ LYS 17 4.817 6.641 -11.962 138 H VAL 18 H VAL 18 7.127 8.435 -8.346 139 HA VAL 18 HA VAL 18 7.911 9.429 -5.626 140 HB VAL 18 HB VAL 18 8.139 11.633 -6.898 141 1HG1 VAL 18 1HG1 VAL 18 10.340 10.976 -7.876 142 2HG1 VAL 18 2HG1 VAL 18 9.897 9.283 -7.662 143 3HG1 VAL 18 3HG1 VAL 18 10.102 10.325 -6.255 144 1HG2 VAL 18 1HG2 VAL 18 6.860 10.237 -8.893 145 2HG2 VAL 18 2HG2 VAL 18 8.542 10.159 -9.416 146 3HG2 VAL 18 3HG2 VAL 18 7.775 11.723 -9.141 147 H CYS 19 H CYS 19 6.346 10.681 -4.547 148 HA CYS 19 HA CYS 19 3.957 11.691 -5.876 149 1HB CYS 19 2HB CYS 19 2.400 10.097 -4.846 150 2HB CYS 19 1HB CYS 19 3.585 9.225 -5.817 151 H ALA 20 H ALA 20 5.532 10.730 -2.839 152 HA ALA 20 HA ALA 20 3.907 12.379 -1.109 153 1HB ALA 20 1HB ALA 20 5.258 10.416 -0.413 154 2HB ALA 20 2HB ALA 20 5.701 11.856 0.504 155 3HB ALA 20 3HB ALA 20 6.731 11.300 -0.815 156 H SER 21 H SER 21 4.342 14.149 -3.073 157 HA SER 21 HA SER 21 6.766 15.758 -2.509 158 1HB SER 21 2HB SER 21 6.181 15.466 -4.811 159 2HB SER 21 1HB SER 21 4.490 15.847 -4.501 160 HG SER 21 HG SER 21 5.149 17.767 -5.115 161 H GLY 22 H GLY 22 3.350 15.717 -1.774 162 1HA GLY 22 2HA GLY 22 3.719 18.239 -0.227 163 2HA GLY 22 1HA GLY 22 2.314 18.069 -1.281 164 H GLU 23 H GLU 23 0.765 16.352 -0.768 165 HA GLU 23 HA GLU 23 0.947 15.371 2.060 166 1HB GLU 23 2HB GLU 23 -1.451 15.967 2.266 167 2HB GLU 23 1HB GLU 23 -0.474 17.383 1.877 168 1HG GLU 23 2HG GLU 23 -1.205 16.166 -0.589 169 2HG GLU 23 1HG GLU 23 -2.665 16.274 0.395 170 H LYS 24 H LYS 24 1.668 13.386 0.751 171 HA LYS 24 HA LYS 24 -0.729 11.735 0.140 172 1HB LYS 24 2HB LYS 24 1.607 12.262 -1.726 173 2HB LYS 24 1HB LYS 24 0.370 11.036 -2.007 174 1HG LYS 24 2HG LYS 24 -1.371 12.797 -1.969 175 2HG LYS 24 1HG LYS 24 -0.120 14.017 -1.728 176 1HD LYS 24 2HD LYS 24 0.661 12.412 -3.952 177 2HD LYS 24 1HD LYS 24 -1.024 12.873 -4.192 178 1HE LYS 24 2HE LYS 24 -0.452 15.242 -3.841 179 2HE LYS 24 1HE LYS 24 1.242 14.798 -3.555 180 1HZ LYS 24 1HZ LYS 24 -0.302 14.728 -6.040 181 2HZ LYS 24 2HZ LYS 24 0.847 13.500 -5.800 182 3HZ LYS 24 3HZ LYS 24 1.328 15.129 -5.793 183 H TYR 25 H TYR 25 -0.223 10.408 1.948 184 HA TYR 25 HA TYR 25 2.483 9.312 2.297 185 1HB TYR 25 2HB TYR 25 -0.153 8.596 3.620 186 2HB TYR 25 1HB TYR 25 1.461 8.268 4.248 187 HD1 TYR 25 HD1 TYR 25 2.624 10.986 3.254 188 HD2 TYR 25 HD2 TYR 25 -0.852 9.930 5.545 189 HE1 TYR 25 HE1 TYR 25 2.661 13.216 4.338 190 HE2 TYR 25 HE2 TYR 25 -0.816 12.162 6.629 191 HH TYR 25 HH TYR 25 1.861 14.313 6.311 192 H CYS 26 H CYS 26 3.107 7.191 1.753 193 HA CYS 26 HA CYS 26 1.740 5.845 -0.375 194 1HB CYS 26 2HB CYS 26 4.108 5.562 1.296 195 2HB CYS 26 1HB CYS 26 3.381 3.994 0.953 196 H PHE 27 H PHE 27 -0.390 5.239 0.102 197 HA PHE 27 HA PHE 27 -1.073 3.974 2.658 198 1HB PHE 27 2HB PHE 27 -3.297 4.183 1.855 199 2HB PHE 27 1HB PHE 27 -2.457 5.580 1.187 200 HD1 PHE 27 HD1 PHE 27 -1.851 5.672 -1.196 201 HD2 PHE 27 HD2 PHE 27 -3.995 2.330 0.443 202 HE1 PHE 27 HE1 PHE 27 -2.440 4.927 -3.486 203 HE2 PHE 27 HE2 PHE 27 -4.583 1.584 -1.848 204 HZ PHE 27 HZ PHE 27 -3.806 2.882 -3.813 205 H LYS 28 H LYS 28 -0.744 1.834 3.013 206 HA LYS 28 HA LYS 28 -0.336 -0.013 0.739 207 1HB LYS 28 2HB LYS 28 1.026 0.171 2.933 208 2HB LYS 28 1HB LYS 28 -0.341 -0.643 3.696 209 1HG LYS 28 2HG LYS 28 0.672 -1.866 1.186 210 2HG LYS 28 1HG LYS 28 1.731 -1.985 2.593 211 1HD LYS 28 2HD LYS 28 -1.191 -2.646 2.860 212 2HD LYS 28 1HD LYS 28 -0.076 -3.843 2.200 213 1HE LYS 28 2HE LYS 28 1.137 -2.685 4.531 214 2HE LYS 28 1HE LYS 28 -0.505 -3.216 4.946 215 1HZ LYS 28 1HZ LYS 28 1.688 -4.795 3.744 216 2HZ LYS 28 2HZ LYS 28 0.067 -5.276 3.579 217 3HZ LYS 28 3HZ LYS 28 0.766 -5.149 5.123 218 H GLU 29 H GLU 29 -2.276 -0.674 -0.160 219 HA GLU 29 HA GLU 29 -4.535 -1.344 1.682 220 1HB GLU 29 2HB GLU 29 -4.674 0.357 -0.243 221 2HB GLU 29 1HB GLU 29 -4.586 -1.034 -1.324 222 1HG GLU 29 2HG GLU 29 -6.560 -2.020 -0.163 223 2HG GLU 29 1HG GLU 29 -6.677 -0.561 0.821 224 H SER 30 H SER 30 -4.335 -3.510 2.225 225 HA SER 30 HA SER 30 -3.737 -5.449 0.016 226 1HB SER 30 2HB SER 30 -2.199 -5.258 2.016 227 2HB SER 30 1HB SER 30 -3.537 -5.798 3.024 228 HG SER 30 HG SER 30 -2.591 -7.219 0.759 229 H TRP 31 H TRP 31 -5.650 -6.305 -0.731 230 HA TRP 31 HA TRP 31 -8.025 -6.478 0.993 231 1HB TRP 31 2HB TRP 31 -7.359 -6.374 -1.785 232 2HB TRP 31 1HB TRP 31 -8.293 -7.844 -1.509 233 HD1 TRP 31 HD1 TRP 31 -10.280 -6.994 0.671 234 HE1 TRP 31 HE1 TRP 31 -12.100 -5.226 0.217 235 HE3 TRP 31 HE3 TRP 31 -8.207 -4.596 -3.336 236 HZ2 TRP 31 HZ2 TRP 31 -12.611 -3.081 -1.602 237 HZ3 TRP 31 HZ3 TRP 31 -9.383 -2.694 -4.408 238 HH2 TRP 31 HH2 TRP 31 -11.580 -1.936 -3.547 239 H ARG 32 H ARG 32 -8.728 -8.327 2.015 240 HA ARG 32 HA ARG 32 -7.221 -10.868 1.473 241 1HB ARG 32 2HB ARG 32 -7.094 -9.425 3.712 242 2HB ARG 32 1HB ARG 32 -8.594 -10.281 4.072 243 1HG ARG 32 2HG ARG 32 -6.905 -12.268 3.082 244 2HG ARG 32 1HG ARG 32 -5.854 -11.276 4.092 245 1HD ARG 32 2HD ARG 32 -8.547 -12.344 5.009 246 2HD ARG 32 1HD ARG 32 -6.991 -13.109 5.385 247 HE ARG 32 HE ARG 32 -6.502 -10.554 6.160 248 1HH1 ARG 32 1HH2 ARG 32 -9.481 -10.126 6.340 249 2HH1 ARG 32 2HH2 ARG 32 -9.797 -10.532 7.994 250 1HH2 ARG 32 2HH1 ARG 32 -6.775 -12.168 8.449 251 2HH2 ARG 32 1HH1 ARG 32 -8.266 -11.688 9.188 252 H GLU 33 H GLU 33 -8.526 -12.855 1.856 253 HA GLU 33 HA GLU 33 -11.454 -12.589 2.024 254 1HB GLU 33 2HB GLU 33 -11.150 -12.052 -0.291 255 2HB GLU 33 1HB GLU 33 -9.958 -13.333 -0.501 256 1HG GLU 33 2HG GLU 33 -11.587 -14.789 -1.026 257 2HG GLU 33 1HG GLU 33 -12.369 -14.492 0.528 258 H ALA 34 H ALA 34 -9.529 -15.062 0.365 259 HA ALA 34 HA ALA 34 -9.105 -16.876 2.494 260 1HB ALA 34 1HB ALA 34 -11.850 -16.856 1.246 261 2HB ALA 34 2HB ALA 34 -11.416 -16.942 2.954 262 3HB ALA 34 3HB ALA 34 -11.191 -18.348 1.913 263 H ARG 35 H ARG 35 -9.970 -16.386 -0.880 264 HA ARG 35 HA ARG 35 -8.594 -18.932 -1.636 265 1HB ARG 35 2HB ARG 35 -10.552 -17.044 -2.953 266 2HB ARG 35 1HB ARG 35 -9.694 -18.269 -3.887 267 1HG ARG 35 2HG ARG 35 -11.232 -18.955 -1.378 268 2HG ARG 35 1HG ARG 35 -11.993 -18.944 -2.970 269 1HD ARG 35 2HD ARG 35 -10.769 -20.781 -3.718 270 2HD ARG 35 1HD ARG 35 -9.423 -20.461 -2.606 271 HE ARG 35 HE ARG 35 -10.573 -21.728 -0.984 272 1HH1 ARG 35 1HH2 ARG 35 -12.930 -19.971 -0.723 273 2HH1 ARG 35 2HH2 ARG 35 -14.233 -20.990 -1.236 274 1HH2 ARG 35 2HH1 ARG 35 -12.165 -23.297 -2.794 275 2HH2 ARG 35 1HH1 ARG 35 -13.800 -22.873 -2.410 276 H GLY 36 H GLY 36 -7.984 -15.632 -1.324 277 1HA GLY 36 2HA GLY 36 -5.377 -15.724 -2.404 278 2HA GLY 36 1HA GLY 36 -6.430 -15.095 -3.673 279 H THR 37 H THR 37 -4.553 -13.363 -2.817 280 HA THR 37 HA THR 37 -6.126 -11.424 -1.160 281 HB THR 37 HB THR 37 -3.885 -10.829 -0.131 282 HG1 THR 37 HG1 THR 37 -3.160 -13.223 -1.466 283 1HG2 THR 37 1HG2 THR 37 -4.580 -13.737 0.291 284 2HG2 THR 37 2HG2 THR 37 -5.630 -12.436 0.852 285 3HG2 THR 37 3HG2 THR 37 -3.986 -12.575 1.477 286 H ARG 38 H ARG 38 -5.455 -9.154 -1.568 287 HA ARG 38 HA ARG 38 -4.058 -8.786 -4.198 288 1HB ARG 38 2HB ARG 38 -6.788 -8.387 -3.504 289 2HB ARG 38 1HB ARG 38 -6.073 -6.788 -3.713 290 1HG ARG 38 2HG ARG 38 -6.011 -7.048 -5.946 291 2HG ARG 38 1HG ARG 38 -5.128 -8.567 -5.784 292 1HD ARG 38 2HD ARG 38 -7.093 -9.326 -6.793 293 2HD ARG 38 1HD ARG 38 -7.543 -9.479 -5.082 294 HE ARG 38 HE ARG 38 -8.085 -6.807 -5.948 295 1HH1 ARG 38 2HH1 ARG 38 -9.296 -9.998 -5.702 296 2HH1 ARG 38 1HH1 ARG 38 -10.869 -9.603 -6.309 297 1HH2 ARG 38 1HH2 ARG 38 -10.064 -6.303 -7.006 298 2HH2 ARG 38 2HH2 ARG 38 -11.305 -7.510 -7.045 299 H ILE 39 H ILE 39 -2.134 -8.151 -2.988 300 HA ILE 39 HA ILE 39 -2.296 -5.897 -1.105 301 HB ILE 39 HB ILE 39 -0.745 -7.914 -0.994 302 1HG1 ILE 39 2HG1 ILE 39 0.537 -5.163 -1.058 303 2HG1 ILE 39 1HG1 ILE 39 -0.336 -5.854 0.310 304 1HG2 ILE 39 1HG2 ILE 39 -0.221 -7.775 -3.483 305 2HG2 ILE 39 2HG2 ILE 39 1.176 -7.982 -2.427 306 3HG2 ILE 39 3HG2 ILE 39 0.808 -6.395 -3.103 307 1HD1 ILE 39 1HD1 ILE 39 1.556 -6.855 0.994 308 2HD1 ILE 39 2HD1 ILE 39 2.417 -6.213 -0.404 309 3HD1 ILE 39 3HD1 ILE 39 1.600 -7.772 -0.511 310 H GLU 40 H GLU 40 -2.336 -3.807 -1.831 311 HA GLU 40 HA GLU 40 -0.652 -3.034 -4.148 312 1HB GLU 40 2HB GLU 40 -3.524 -3.475 -4.190 313 2HB GLU 40 1HB GLU 40 -3.140 -1.805 -4.609 314 1HG GLU 40 2HG GLU 40 -2.517 -2.480 -6.661 315 2HG GLU 40 1HG GLU 40 -1.246 -3.466 -5.936 316 H ARG 41 H ARG 41 0.242 -1.043 -3.733 317 HA ARG 41 HA ARG 41 -1.145 0.739 -1.757 318 1HB ARG 41 2HB ARG 41 1.104 1.241 -0.867 319 2HB ARG 41 1HB ARG 41 0.777 -0.491 -0.785 320 1HG ARG 41 2HG ARG 41 1.975 -0.740 -2.992 321 2HG ARG 41 1HG ARG 41 2.445 0.955 -2.861 322 1HD ARG 41 2HD ARG 41 4.276 0.097 -1.775 323 2HD ARG 41 1HD ARG 41 3.174 0.005 -0.387 324 HE ARG 41 HE ARG 41 2.913 -2.292 -2.153 325 1HH1 ARG 41 2HH1 ARG 41 5.537 -1.104 -0.428 326 2HH1 ARG 41 1HH1 ARG 41 5.728 -2.498 0.582 327 1HH2 ARG 41 1HH2 ARG 41 2.795 -4.006 -0.487 328 2HH2 ARG 41 2HH2 ARG 41 4.177 -4.141 0.549 329 H GLY 42 H GLY 42 -0.176 3.051 -1.944 330 1HA GLY 42 2HA GLY 42 1.004 3.778 -4.511 331 2HA GLY 42 1HA GLY 42 -0.698 4.225 -4.385 332 H CYS 43 H CYS 43 -1.083 6.213 -3.546 333 HA CYS 43 HA CYS 43 0.582 7.279 -1.358 334 1HB CYS 43 2HB CYS 43 1.378 7.678 -3.968 335 2HB CYS 43 1HB CYS 43 0.427 9.128 -3.648 336 H ALA 44 H ALA 44 -1.338 7.560 -0.144 337 HA ALA 44 HA ALA 44 -3.194 9.669 -1.178 338 1HB ALA 44 1HB ALA 44 -4.897 8.079 0.166 339 2HB ALA 44 2HB ALA 44 -3.709 6.863 -0.302 340 3HB ALA 44 3HB ALA 44 -4.527 7.819 -1.539 341 H ALA 45 H ALA 45 -4.779 10.149 0.878 342 HA ALA 45 HA ALA 45 -3.148 10.216 3.380 343 1HB ALA 45 1HB ALA 45 -3.631 12.361 1.527 344 2HB ALA 45 2HB ALA 45 -2.714 12.406 3.033 345 3HB ALA 45 3HB ALA 45 -4.447 12.730 3.046 346 H THR 46 H THR 46 -5.920 9.224 2.067 347 HA THR 46 HA THR 46 -7.790 10.289 4.108 348 HB THR 46 HB THR 46 -9.055 8.347 2.547 349 HG1 THR 46 HG1 THR 46 -7.545 9.888 0.771 350 1HG2 THR 46 1HG2 THR 46 -10.373 10.123 2.106 351 2HG2 THR 46 2HG2 THR 46 -9.051 11.002 1.336 352 3HG2 THR 46 3HG2 THR 46 -9.252 11.067 3.086 353 H CYS 47 H CYS 47 -6.179 7.264 3.202 354 HA CYS 47 HA CYS 47 -6.240 5.127 4.221 355 1HB CYS 47 2HB CYS 47 -5.950 6.862 6.675 356 2HB CYS 47 1HB CYS 47 -5.160 5.336 6.310 357 HA PRO 48 HA PRO 48 -10.565 5.264 5.712 358 1HB PRO 48 2HB PRO 48 -11.351 3.022 4.359 359 2HB PRO 48 1HB PRO 48 -11.336 4.635 3.622 360 1HG PRO 48 2HG PRO 48 -9.397 2.404 3.333 361 2HG PRO 48 1HG PRO 48 -9.951 3.582 2.135 362 1HD PRO 48 2HD PRO 48 -7.538 3.722 3.438 363 2HD PRO 48 1HD PRO 48 -8.381 5.121 2.738 364 H LYS 49 H LYS 49 -11.758 2.800 6.254 365 HA LYS 49 HA LYS 49 -9.890 1.664 8.296 366 1HB LYS 49 2HB LYS 49 -12.916 1.583 8.045 367 2HB LYS 49 1HB LYS 49 -11.978 1.028 9.433 368 1HG LYS 49 2HG LYS 49 -12.154 3.869 8.388 369 2HG LYS 49 1HG LYS 49 -12.816 3.262 9.905 370 1HD LYS 49 2HD LYS 49 -10.198 2.494 10.125 371 2HD LYS 49 1HD LYS 49 -10.040 4.006 9.229 372 1HE LYS 49 2HE LYS 49 -10.827 5.285 10.983 373 2HE LYS 49 1HE LYS 49 -11.900 4.001 11.572 374 1HZ LYS 49 1HZ LYS 49 -8.965 3.671 11.608 375 2HZ LYS 49 2HZ LYS 49 -10.138 2.842 12.516 376 3HZ LYS 49 3HZ LYS 49 -9.761 4.457 12.883 377 H GLY 50 H GLY 50 -11.959 -0.594 8.488 378 1HA GLY 50 2HA GLY 50 -12.606 -2.442 6.963 379 2HA GLY 50 1HA GLY 50 -11.142 -2.104 6.039 380 H SER 51 H SER 51 -11.869 -4.657 7.229 381 HA SER 51 HA SER 51 -9.388 -5.481 8.318 382 1HB SER 51 2HB SER 51 -9.674 -4.189 10.242 383 2HB SER 51 1HB SER 51 -11.425 -4.374 10.224 384 HG SER 51 HG SER 51 -9.659 -6.544 10.655 385 H VAL 52 H VAL 52 -12.370 -6.304 9.998 386 HA VAL 52 HA VAL 52 -12.263 -9.057 9.795 387 HB VAL 52 HB VAL 52 -14.775 -8.905 9.965 388 1HG1 VAL 52 1HG1 VAL 52 -14.473 -6.972 11.883 389 2HG1 VAL 52 2HG1 VAL 52 -12.801 -7.476 11.632 390 3HG1 VAL 52 3HG1 VAL 52 -14.020 -8.662 12.100 391 1HG2 VAL 52 1HG2 VAL 52 -15.164 -7.051 8.440 392 2HG2 VAL 52 2HG2 VAL 52 -14.168 -5.982 9.427 393 3HG2 VAL 52 3HG2 VAL 52 -15.709 -6.572 10.047 394 H TYR 53 H TYR 53 -13.321 -6.790 7.285 395 HA TYR 53 HA TYR 53 -14.267 -8.910 5.494 396 1HB TYR 53 2HB TYR 53 -14.128 -5.970 5.642 397 2HB TYR 53 1HB TYR 53 -13.948 -6.610 4.009 398 HD1 TYR 53 HD1 TYR 53 -16.333 -5.188 5.833 399 HD2 TYR 53 HD2 TYR 53 -15.596 -9.012 4.022 400 HE1 TYR 53 HE1 TYR 53 -18.775 -5.607 5.726 401 HE2 TYR 53 HE2 TYR 53 -18.039 -9.432 3.914 402 HH TYR 53 HH TYR 53 -20.055 -8.707 4.543 403 H GLY 54 H GLY 54 -11.302 -7.063 5.984 404 1HA GLY 54 2HA GLY 54 -9.190 -8.178 5.261 405 2HA GLY 54 1HA GLY 54 -10.041 -8.667 3.794 406 H LEU 55 H LEU 55 -9.259 -5.665 5.585 407 HA LEU 55 HA LEU 55 -8.482 -4.431 2.976 408 1HB LEU 55 2HB LEU 55 -10.570 -3.595 4.970 409 2HB LEU 55 1HB LEU 55 -9.727 -2.358 4.037 410 HG LEU 55 HG LEU 55 -10.523 -4.530 2.306 411 1HD1 LEU 55 1HD1 LEU 55 -12.470 -5.089 3.348 412 2HD1 LEU 55 2HD1 LEU 55 -13.057 -3.571 2.669 413 3HD1 LEU 55 3HD1 LEU 55 -12.476 -3.627 4.333 414 1HD2 LEU 55 1HD2 LEU 55 -10.224 -1.745 2.263 415 2HD2 LEU 55 2HD2 LEU 55 -11.948 -2.008 2.000 416 3HD2 LEU 55 3HD2 LEU 55 -10.769 -2.757 0.926 417 H TYR 56 H TYR 56 -6.281 -4.789 3.900 418 HA TYR 56 HA TYR 56 -5.540 -3.409 6.377 419 1HB TYR 56 2HB TYR 56 -4.502 -5.369 4.562 420 2HB TYR 56 1HB TYR 56 -3.300 -4.091 4.742 421 HD1 TYR 56 HD1 TYR 56 -5.512 -6.388 6.685 422 HD2 TYR 56 HD2 TYR 56 -1.995 -3.921 6.705 423 HE1 TYR 56 HE1 TYR 56 -4.903 -7.273 8.920 424 HE2 TYR 56 HE2 TYR 56 -1.386 -4.807 8.941 425 HH TYR 56 HH TYR 56 -3.509 -7.107 10.645 426 H VAL 57 H VAL 57 -5.404 -1.189 6.360 427 HA VAL 57 HA VAL 57 -4.290 0.127 3.901 428 HB VAL 57 HB VAL 57 -6.656 0.609 4.352 429 1HG1 VAL 57 1HG1 VAL 57 -7.407 0.726 6.469 430 2HG1 VAL 57 2HG1 VAL 57 -6.406 2.149 6.757 431 3HG1 VAL 57 3HG1 VAL 57 -5.755 0.538 7.055 432 1HG2 VAL 57 1HG2 VAL 57 -4.571 2.724 4.707 433 2HG2 VAL 57 2HG2 VAL 57 -6.255 3.177 4.973 434 3HG2 VAL 57 3HG2 VAL 57 -5.754 2.522 3.414 435 H LEU 58 H LEU 58 -2.149 0.544 4.399 436 HA LEU 58 HA LEU 58 -1.580 1.814 7.065 437 1HB LEU 58 2HB LEU 58 -0.465 -0.465 5.625 438 2HB LEU 58 1HB LEU 58 0.783 0.709 6.044 439 HG LEU 58 HG LEU 58 -1.183 0.128 8.182 440 1HD1 LEU 58 1HD1 LEU 58 0.212 -1.958 8.770 441 2HD1 LEU 58 2HD1 LEU 58 0.732 -1.934 7.085 442 3HD1 LEU 58 3HD1 LEU 58 -0.976 -2.131 7.477 443 1HD2 LEU 58 1HD2 LEU 58 1.848 0.158 8.159 444 2HD2 LEU 58 2HD2 LEU 58 0.795 0.310 9.566 445 3HD2 LEU 58 3HD2 LEU 58 0.858 1.604 8.368 446 H CYS 59 H CYS 59 -1.471 4.004 6.501 447 HA CYS 59 HA CYS 59 -0.142 4.827 3.993 448 1HB CYS 59 2HB CYS 59 -1.380 6.396 6.276 449 2HB CYS 59 1HB CYS 59 -0.917 7.057 4.708 450 H CYS 60 H CYS 60 1.990 5.340 3.909 451 HA CYS 60 HA CYS 60 3.400 5.980 6.484 452 1HB CYS 60 2HB CYS 60 3.785 3.950 4.520 453 2HB CYS 60 1HB CYS 60 5.125 5.068 4.382 454 H THR 61 H THR 61 5.279 7.488 6.178 455 HA THR 61 HA THR 61 5.301 9.047 3.682 456 HB THR 61 HB THR 61 3.487 9.919 5.197 457 HG1 THR 61 HG1 THR 61 5.662 11.706 4.903 458 1HG2 THR 61 1HG2 THR 61 5.760 10.876 6.937 459 2HG2 THR 61 2HG2 THR 61 4.885 9.385 7.282 460 3HG2 THR 61 3HG2 THR 61 4.031 10.927 7.276 461 H THR 62 H THR 62 7.214 10.301 3.440 462 HA THR 62 HA THR 62 9.418 11.040 3.893 463 HB THR 62 HB THR 62 9.265 10.017 6.688 464 HG1 THR 62 HG1 THR 62 7.898 11.925 7.095 465 1HG2 THR 62 1HG2 THR 62 10.864 11.784 5.323 466 2HG2 THR 62 2HG2 THR 62 10.674 11.753 7.076 467 3HG2 THR 62 3HG2 THR 62 9.712 12.867 6.104 468 H ASP 63 H ASP 63 11.264 9.987 3.342 469 HA ASP 63 HA ASP 63 12.699 8.170 2.831 470 1HB ASP 63 2HB ASP 63 12.335 8.658 5.624 471 2HB ASP 63 1HB ASP 63 12.566 6.923 5.399 472 H ASP 64 H ASP 64 11.775 6.668 1.420 473 HA ASP 64 HA ASP 64 10.724 4.638 0.773 474 1HB ASP 64 2HB ASP 64 11.662 4.353 3.566 475 2HB ASP 64 1HB ASP 64 10.435 3.184 3.076 476 H CYS 65 H CYS 65 9.333 4.979 4.080 477 HA CYS 65 HA CYS 65 6.709 4.331 3.514 478 1HB CYS 65 2HB CYS 65 8.176 6.100 5.419 479 2HB CYS 65 1HB CYS 65 6.424 6.268 5.368 480 H ASN 66 HN ASN 66 8.469 7.235 2.644 481 HA ASN 66 HA ASN 66 6.274 8.999 2.119 482 1HB ASN 66 2HB ASN 66 8.029 10.074 0.612 483 2HB ASN 66 1HB ASN 66 8.537 9.811 2.278 484 1HD2 ASN 66 1HD2 ASN 66 10.604 10.030 0.511 485 2HD2 ASN 66 2HD2 ASN 66 11.289 8.514 0.171 Start of MODEL 16 1 1H MET 1 1H MET 1 13.021 11.984 -2.460 2 2H MET 1 2H MET 1 12.894 12.836 -0.996 3 3H MET 1 3H MET 1 11.784 13.125 -2.249 4 HA MET 1 HA MET 1 11.933 10.853 -0.385 5 1HB MET 1 2HB MET 1 9.614 12.327 -1.654 6 2HB MET 1 1HB MET 1 9.621 11.420 -0.141 7 1HG MET 1 2HG MET 1 11.057 13.066 0.910 8 2HG MET 1 1HG MET 1 11.262 13.922 -0.619 9 1HE MET 1 1HE MET 1 8.644 12.940 2.242 10 2HE MET 1 2HE MET 1 8.314 14.641 2.562 11 3HE MET 1 3HE MET 1 9.978 14.064 2.534 12 H LYS 2 H LYS 2 11.064 8.822 -1.007 13 HA LYS 2 HA LYS 2 10.159 8.466 -3.817 14 1HB LYS 2 2HB LYS 2 12.461 6.933 -2.567 15 2HB LYS 2 1HB LYS 2 11.872 6.775 -4.222 16 1HG LYS 2 2HG LYS 2 12.378 9.290 -4.456 17 2HG LYS 2 1HG LYS 2 13.311 9.114 -2.969 18 1HD LYS 2 2HD LYS 2 14.920 7.793 -3.965 19 2HD LYS 2 1HD LYS 2 13.791 7.128 -5.146 20 1HE LYS 2 2HE LYS 2 13.755 9.707 -5.945 21 2HE LYS 2 1HE LYS 2 15.398 9.633 -5.275 22 1HZ LYS 2 1HZ LYS 2 14.524 7.345 -6.852 23 2HZ LYS 2 2HZ LYS 2 16.049 8.086 -6.769 24 3HZ LYS 2 3HZ LYS 2 14.819 8.774 -7.715 25 H CYS 3 H CYS 3 9.273 6.226 -4.128 26 HA CYS 3 HA CYS 3 8.569 4.827 -1.583 27 1HB CYS 3 2HB CYS 3 6.876 6.607 -2.468 28 2HB CYS 3 1HB CYS 3 6.521 5.421 -3.722 29 H LYS 4 H LYS 4 9.159 2.720 -1.921 30 HA LYS 4 HA LYS 4 9.592 1.654 -4.598 31 1HB LYS 4 2HB LYS 4 10.353 -0.298 -3.341 32 2HB LYS 4 1HB LYS 4 10.957 1.161 -2.556 33 1HG LYS 4 2HG LYS 4 9.064 1.079 -0.963 34 2HG LYS 4 1HG LYS 4 8.492 -0.402 -1.731 35 1HD LYS 4 2HD LYS 4 10.923 -1.267 -1.262 36 2HD LYS 4 1HD LYS 4 10.955 0.031 -0.067 37 1HE LYS 4 2HE LYS 4 9.800 -1.293 1.359 38 2HE LYS 4 1HE LYS 4 8.451 -1.326 0.205 39 1HZ LYS 4 1HZ LYS 4 10.092 -2.949 -1.037 40 2HZ LYS 4 2HZ LYS 4 9.027 -3.517 0.158 41 3HZ LYS 4 3HZ LYS 4 10.657 -3.224 0.539 42 H ILE 5 H ILE 5 8.297 0.178 -5.696 43 HA ILE 5 HA ILE 5 5.735 -0.656 -4.380 44 HB ILE 5 HB ILE 5 6.254 0.472 -7.147 45 1HG1 ILE 5 2HG1 ILE 5 4.101 1.662 -5.630 46 2HG1 ILE 5 1HG1 ILE 5 5.580 1.662 -4.670 47 1HG2 ILE 5 1HG2 ILE 5 3.755 -0.767 -5.959 48 2HG2 ILE 5 2HG2 ILE 5 4.650 -1.331 -7.371 49 3HG2 ILE 5 3HG2 ILE 5 3.770 0.195 -7.437 50 1HD1 ILE 5 1HD1 ILE 5 6.513 3.262 -5.958 51 2HD1 ILE 5 2HD1 ILE 5 4.927 3.472 -6.699 52 3HD1 ILE 5 3HD1 ILE 5 6.109 2.392 -7.438 53 H CYS 6 H CYS 6 5.686 -2.861 -4.337 54 HA CYS 6 HA CYS 6 6.423 -4.403 -6.749 55 1HB CYS 6 2HB CYS 6 8.448 -3.881 -5.157 56 2HB CYS 6 1HB CYS 6 7.726 -5.117 -4.128 57 H ASN 7 H ASN 7 4.107 -3.846 -4.736 58 HA ASN 7 HA ASN 7 2.385 -5.105 -3.705 59 1HB ASN 7 2HB ASN 7 2.291 -5.798 -6.088 60 2HB ASN 7 1HB ASN 7 3.444 -7.089 -5.747 61 1HD2 ASN 7 1HD2 ASN 7 0.414 -7.066 -6.511 62 2HD2 ASN 7 2HD2 ASN 7 -0.280 -8.117 -5.373 63 H PHE 8 H PHE 8 3.689 -5.248 -1.680 64 HA PHE 8 HA PHE 8 5.595 -7.084 -0.914 65 1HB PHE 8 2HB PHE 8 3.897 -5.323 0.305 66 2HB PHE 8 1HB PHE 8 3.287 -6.857 0.927 67 HD1 PHE 8 HD1 PHE 8 6.241 -4.641 0.711 68 HD2 PHE 8 HD2 PHE 8 4.615 -8.241 2.399 69 HE1 PHE 8 HE1 PHE 8 8.152 -4.766 2.286 70 HE2 PHE 8 HE2 PHE 8 6.526 -8.366 3.973 71 HZ PHE 8 HZ PHE 8 8.295 -6.629 3.916 72 H ASP 9 H ASP 9 5.315 -9.171 0.324 73 HA ASP 9 HA ASP 9 4.429 -11.353 0.600 74 1HB ASP 9 2HB ASP 9 2.245 -9.663 0.310 75 2HB ASP 9 1HB ASP 9 1.976 -10.883 -0.936 76 H THR 10 H THR 10 5.107 -9.828 -2.310 77 HA THR 10 HA THR 10 5.927 -12.173 -3.684 78 HB THR 10 HB THR 10 3.620 -12.811 -3.767 79 HG1 THR 10 HG1 THR 10 3.146 -12.255 -6.093 80 1HG2 THR 10 1HG2 THR 10 1.837 -11.301 -4.435 81 2HG2 THR 10 2HG2 THR 10 3.006 -10.027 -4.788 82 3HG2 THR 10 3HG2 THR 10 2.753 -10.557 -3.125 83 H CYS 11 H CYS 11 7.514 -10.264 -3.841 84 HA CYS 11 HA CYS 11 7.141 -7.878 -5.211 85 1HB CYS 11 2HB CYS 11 9.252 -9.460 -4.313 86 2HB CYS 11 1HB CYS 11 9.566 -9.279 -6.039 87 H ARG 12 H ARG 12 5.649 -8.022 -6.951 88 HA ARG 12 HA ARG 12 6.385 -9.796 -9.237 89 1HB ARG 12 2HB ARG 12 3.916 -8.556 -8.117 90 2HB ARG 12 1HB ARG 12 3.968 -8.780 -9.865 91 1HG ARG 12 2HG ARG 12 4.834 -11.194 -9.207 92 2HG ARG 12 1HG ARG 12 4.005 -10.840 -7.691 93 1HD ARG 12 2HD ARG 12 1.987 -11.215 -8.651 94 2HD ARG 12 1HD ARG 12 2.356 -10.078 -9.964 95 HE ARG 12 HE ARG 12 3.167 -12.956 -9.952 96 1HH1 ARG 12 2HH1 ARG 12 1.142 -11.184 -11.694 97 2HH1 ARG 12 1HH1 ARG 12 1.986 -11.251 -13.205 98 1HH2 ARG 12 1HH2 ARG 12 4.905 -12.513 -11.823 99 2HH2 ARG 12 2HH2 ARG 12 4.117 -12.003 -13.278 100 H ALA 13 H ALA 13 6.214 -6.487 -8.222 101 HA ALA 13 HA ALA 13 6.521 -5.490 -11.015 102 1HB ALA 13 1HB ALA 13 5.095 -3.984 -10.095 103 2HB ALA 13 2HB ALA 13 6.496 -3.348 -9.232 104 3HB ALA 13 3HB ALA 13 5.453 -4.543 -8.461 105 H GLY 14 H GLY 14 7.889 -4.068 -8.083 106 1HA GLY 14 2HA GLY 14 10.206 -4.041 -7.418 107 2HA GLY 14 1HA GLY 14 10.636 -4.731 -8.986 108 H GLU 15 H GLU 15 8.504 -1.954 -8.465 109 HA GLU 15 HA GLU 15 10.587 -0.213 -9.751 110 1HB GLU 15 2HB GLU 15 8.659 0.825 -10.965 111 2HB GLU 15 1HB GLU 15 8.854 -0.886 -11.350 112 1HG GLU 15 2HG GLU 15 6.766 -1.299 -10.628 113 2HG GLU 15 1HG GLU 15 7.189 -0.677 -9.032 114 H LEU 16 H LEU 16 10.805 1.825 -8.798 115 HA LEU 16 HA LEU 16 9.147 2.317 -6.363 116 1HB LEU 16 2HB LEU 16 11.630 3.826 -7.151 117 2HB LEU 16 1HB LEU 16 11.027 3.457 -5.537 118 HG LEU 16 HG LEU 16 12.336 1.551 -7.495 119 1HD1 LEU 16 1HD1 LEU 16 13.130 3.015 -5.075 120 2HD1 LEU 16 2HD1 LEU 16 14.136 2.273 -6.319 121 3HD1 LEU 16 3HD1 LEU 16 13.495 1.291 -5.002 122 1HD2 LEU 16 1HD2 LEU 16 11.288 0.785 -4.772 123 2HD2 LEU 16 2HD2 LEU 16 11.756 -0.269 -6.104 124 3HD2 LEU 16 3HD2 LEU 16 10.260 0.658 -6.199 125 H LYS 17 H LYS 17 9.138 4.919 -5.986 126 HA LYS 17 HA LYS 17 8.645 6.459 -8.443 127 1HB LYS 17 2HB LYS 17 6.601 4.921 -7.168 128 2HB LYS 17 1HB LYS 17 6.245 6.625 -6.880 129 1HG LYS 17 2HG LYS 17 6.596 7.027 -9.350 130 2HG LYS 17 1HG LYS 17 6.690 5.277 -9.556 131 1HD LYS 17 2HD LYS 17 4.449 4.999 -9.278 132 2HD LYS 17 1HD LYS 17 4.365 6.200 -7.989 133 1HE LYS 17 2HE LYS 17 4.807 7.912 -9.957 134 2HE LYS 17 1HE LYS 17 4.152 6.599 -10.958 135 1HZ LYS 17 1HZ LYS 17 2.768 7.126 -8.455 136 2HZ LYS 17 2HZ LYS 17 2.137 6.722 -9.980 137 3HZ LYS 17 3HZ LYS 17 2.605 8.321 -9.648 138 H VAL 18 H VAL 18 7.260 8.583 -7.419 139 HA VAL 18 HA VAL 18 8.855 9.412 -5.023 140 HB VAL 18 HB VAL 18 9.004 11.593 -6.110 141 1HG1 VAL 18 1HG1 VAL 18 10.148 10.816 -8.294 142 2HG1 VAL 18 2HG1 VAL 18 9.720 9.185 -7.778 143 3HG1 VAL 18 3HG1 VAL 18 10.780 10.178 -6.776 144 1HG2 VAL 18 1HG2 VAL 18 6.898 11.771 -7.225 145 2HG2 VAL 18 2HG2 VAL 18 7.184 10.295 -8.145 146 3HG2 VAL 18 3HG2 VAL 18 8.113 11.751 -8.502 147 H CYS 19 H CYS 19 7.617 10.175 -3.339 148 HA CYS 19 HA CYS 19 5.080 11.559 -3.770 149 1HB CYS 19 2HB CYS 19 5.113 8.748 -3.728 150 2HB CYS 19 1HB CYS 19 4.526 9.221 -2.134 151 H ALA 20 H ALA 20 4.056 10.741 -1.123 152 HA ALA 20 HA ALA 20 4.252 11.502 1.108 153 1HB ALA 20 1HB ALA 20 7.207 11.021 0.734 154 2HB ALA 20 2HB ALA 20 6.071 9.673 0.723 155 3HB ALA 20 3HB ALA 20 6.212 10.695 2.152 156 H SER 21 H SER 21 4.665 13.450 -1.168 157 HA SER 21 HA SER 21 6.752 15.306 -0.563 158 1HB SER 21 2HB SER 21 4.139 15.291 -2.023 159 2HB SER 21 1HB SER 21 4.909 16.847 -1.724 160 HG SER 21 HG SER 21 6.606 16.253 -2.930 161 H GLY 22 H GLY 22 3.394 16.349 -0.218 162 1HA GLY 22 2HA GLY 22 4.032 17.231 2.571 163 2HA GLY 22 1HA GLY 22 3.179 18.280 1.437 164 H GLU 23 H GLU 23 1.311 16.681 0.296 165 HA GLU 23 HA GLU 23 -0.262 15.647 2.637 166 1HB GLU 23 2HB GLU 23 -0.770 17.626 0.542 167 2HB GLU 23 1HB GLU 23 -2.045 16.410 0.638 168 1HG GLU 23 2HG GLU 23 -2.748 17.125 2.682 169 2HG GLU 23 1HG GLU 23 -1.103 17.413 3.251 170 H LYS 24 H LYS 24 1.409 14.583 0.038 171 HA LYS 24 HA LYS 24 -0.632 12.559 -0.794 172 1HB LYS 24 2HB LYS 24 1.801 13.841 -1.989 173 2HB LYS 24 1HB LYS 24 1.347 12.229 -2.544 174 1HG LYS 24 2HG LYS 24 -0.822 12.983 -3.238 175 2HG LYS 24 1HG LYS 24 -0.608 14.537 -2.431 176 1HD LYS 24 2HD LYS 24 1.588 14.141 -4.231 177 2HD LYS 24 1HD LYS 24 0.085 13.851 -5.107 178 1HE LYS 24 2HE LYS 24 -0.626 16.036 -4.880 179 2HE LYS 24 1HE LYS 24 0.172 16.239 -3.308 180 1HZ LYS 24 1HZ LYS 24 2.149 16.716 -4.261 181 2HZ LYS 24 2HZ LYS 24 1.180 17.209 -5.566 182 3HZ LYS 24 3HZ LYS 24 1.905 15.673 -5.575 183 H TYR 25 H TYR 25 -0.450 10.856 0.680 184 HA TYR 25 HA TYR 25 2.291 9.915 1.413 185 1HB TYR 25 2HB TYR 25 -0.384 9.114 2.585 186 2HB TYR 25 1HB TYR 25 1.206 8.976 3.329 187 HD1 TYR 25 HD1 TYR 25 -1.352 10.444 4.384 188 HD2 TYR 25 HD2 TYR 25 2.172 11.756 2.308 189 HE1 TYR 25 HE1 TYR 25 -1.614 12.705 5.368 190 HE2 TYR 25 HE2 TYR 25 1.910 14.018 3.293 191 HH TYR 25 HH TYR 25 0.658 15.336 4.561 192 H CYS 26 H CYS 26 2.865 7.725 1.045 193 HA CYS 26 HA CYS 26 1.616 6.387 -1.201 194 1HB CYS 26 2HB CYS 26 3.958 6.220 0.474 195 2HB CYS 26 1HB CYS 26 3.257 4.613 0.296 196 H PHE 27 H PHE 27 -0.445 5.559 -0.890 197 HA PHE 27 HA PHE 27 -1.184 4.370 1.714 198 1HB PHE 27 2HB PHE 27 -3.394 4.583 0.895 199 2HB PHE 27 1HB PHE 27 -2.554 5.965 0.194 200 HD1 PHE 27 HD1 PHE 27 -2.054 6.068 -2.186 201 HD2 PHE 27 HD2 PHE 27 -3.970 2.624 -0.477 202 HE1 PHE 27 HE1 PHE 27 -2.629 5.259 -4.459 203 HE2 PHE 27 HE2 PHE 27 -4.545 1.815 -2.750 204 HZ PHE 27 HZ PHE 27 -3.874 3.134 -4.741 205 H LYS 28 H LYS 28 -1.085 2.203 2.084 206 HA LYS 28 HA LYS 28 -0.659 0.371 -0.242 207 1HB LYS 28 2HB LYS 28 1.089 0.263 1.384 208 2HB LYS 28 1HB LYS 28 -0.060 0.280 2.724 209 1HG LYS 28 2HG LYS 28 -0.724 -1.929 1.042 210 2HG LYS 28 1HG LYS 28 1.012 -1.987 1.347 211 1HD LYS 28 2HD LYS 28 -0.903 -1.471 3.610 212 2HD LYS 28 1HD LYS 28 -0.596 -3.120 3.064 213 1HE LYS 28 2HE LYS 28 1.750 -2.946 3.558 214 2HE LYS 28 1HE LYS 28 1.628 -1.193 3.809 215 1HZ LYS 28 1HZ LYS 28 1.546 -2.628 5.879 216 2HZ LYS 28 2HZ LYS 28 0.006 -3.124 5.361 217 3HZ LYS 28 3HZ LYS 28 0.303 -1.487 5.704 218 H GLU 29 H GLU 29 -2.533 -0.628 -0.891 219 HA GLU 29 HA GLU 29 -4.739 -1.009 1.067 220 1HB GLU 29 2HB GLU 29 -4.963 0.051 -1.243 221 2HB GLU 29 1HB GLU 29 -4.673 -1.556 -1.910 222 1HG GLU 29 2HG GLU 29 -6.603 -2.417 -0.586 223 2HG GLU 29 1HG GLU 29 -6.923 -0.772 -0.033 224 H SER 30 H SER 30 -4.434 -2.899 2.223 225 HA SER 30 HA SER 30 -3.631 -5.353 0.704 226 1HB SER 30 2HB SER 30 -2.979 -6.154 2.987 227 2HB SER 30 1HB SER 30 -2.132 -4.685 2.513 228 HG SER 30 HG SER 30 -3.433 -3.509 3.832 229 H TRP 31 H TRP 31 -5.401 -6.606 0.210 230 HA TRP 31 HA TRP 31 -7.656 -6.660 2.190 231 1HB TRP 31 2HB TRP 31 -9.103 -6.988 0.251 232 2HB TRP 31 1HB TRP 31 -8.082 -5.577 -0.025 233 HD1 TRP 31 HD1 TRP 31 -7.963 -9.376 -0.780 234 HE1 TRP 31 HE1 TRP 31 -6.880 -9.691 -3.099 235 HE3 TRP 31 HE3 TRP 31 -6.887 -4.516 -1.919 236 HZ2 TRP 31 HZ2 TRP 31 -5.711 -8.092 -5.164 237 HZ3 TRP 31 HZ3 TRP 31 -5.791 -3.940 -4.065 238 HH2 TRP 31 HH2 TRP 31 -5.202 -5.720 -5.688 239 H ARG 32 H ARG 32 -8.553 -8.694 2.685 240 HA ARG 32 HA ARG 32 -6.904 -11.053 1.858 241 1HB ARG 32 2HB ARG 32 -7.574 -10.000 4.334 242 2HB ARG 32 1HB ARG 32 -8.741 -11.307 4.139 243 1HG ARG 32 2HG ARG 32 -6.904 -12.877 3.638 244 2HG ARG 32 1HG ARG 32 -5.734 -11.571 3.834 245 1HD ARG 32 2HD ARG 32 -7.591 -11.856 6.112 246 2HD ARG 32 1HD ARG 32 -6.511 -13.244 5.870 247 HE ARG 32 HE ARG 32 -5.594 -10.424 6.244 248 1HH1 ARG 32 1HH2 ARG 32 -5.285 -13.303 7.718 249 2HH1 ARG 32 2HH2 ARG 32 -3.564 -13.448 7.581 250 1HH2 ARG 32 2HH1 ARG 32 -3.256 -10.821 5.340 251 2HH2 ARG 32 1HH1 ARG 32 -2.417 -12.043 6.235 252 H GLU 33 H GLU 33 -8.139 -13.099 1.564 253 HA GLU 33 HA GLU 33 -11.045 -13.006 1.255 254 1HB GLU 33 2HB GLU 33 -9.320 -12.141 -0.859 255 2HB GLU 33 1HB GLU 33 -10.064 -13.663 -1.352 256 1HG GLU 33 2HG GLU 33 -12.232 -12.804 -1.212 257 2HG GLU 33 1HG GLU 33 -11.757 -11.521 -0.100 258 H ALA 34 H ALA 34 -11.539 -15.137 -0.306 259 HA ALA 34 HA ALA 34 -10.381 -17.376 1.196 260 1HB ALA 34 1HB ALA 34 -12.655 -16.770 -0.546 261 2HB ALA 34 2HB ALA 34 -12.526 -17.965 0.745 262 3HB ALA 34 3HB ALA 34 -11.962 -18.358 -0.878 263 H ARG 35 H ARG 35 -10.322 -16.203 -2.176 264 HA ARG 35 HA ARG 35 -8.755 -18.349 -3.259 265 1HB ARG 35 2HB ARG 35 -10.047 -16.027 -4.113 266 2HB ARG 35 1HB ARG 35 -8.346 -15.715 -4.462 267 1HG ARG 35 2HG ARG 35 -9.911 -18.167 -5.327 268 2HG ARG 35 1HG ARG 35 -9.424 -16.832 -6.372 269 1HD ARG 35 2HD ARG 35 -7.018 -17.495 -5.255 270 2HD ARG 35 1HD ARG 35 -7.808 -19.083 -5.338 271 HE ARG 35 HE ARG 35 -8.386 -17.919 -7.790 272 1HH1 ARG 35 2HH1 ARG 35 -5.942 -19.662 -6.286 273 2HH1 ARG 35 1HH1 ARG 35 -4.754 -19.402 -7.519 274 1HH2 ARG 35 1HH2 ARG 35 -6.684 -17.109 -9.265 275 2HH2 ARG 35 2HH2 ARG 35 -5.175 -17.957 -9.206 276 H GLY 36 H GLY 36 -7.931 -15.871 -1.070 277 1HA GLY 36 2HA GLY 36 -5.522 -16.387 -0.199 278 2HA GLY 36 1HA GLY 36 -5.054 -15.969 -1.848 279 H THR 37 H THR 37 -3.863 -14.378 -0.150 280 HA THR 37 HA THR 37 -5.577 -11.965 0.274 281 HB THR 37 HB THR 37 -3.965 -11.386 1.944 282 HG1 THR 37 HG1 THR 37 -1.950 -12.183 1.958 283 1HG2 THR 37 1HG2 THR 37 -5.405 -13.278 2.579 284 2HG2 THR 37 2HG2 THR 37 -3.810 -13.434 3.316 285 3HG2 THR 37 3HG2 THR 37 -4.228 -14.406 1.905 286 H ARG 38 H ARG 38 -4.717 -9.877 -0.422 287 HA ARG 38 HA ARG 38 -2.335 -9.819 -2.152 288 1HB ARG 38 2HB ARG 38 -5.080 -10.173 -3.126 289 2HB ARG 38 1HB ARG 38 -4.261 -8.800 -3.870 290 1HG ARG 38 2HG ARG 38 -2.869 -10.136 -5.051 291 2HG ARG 38 1HG ARG 38 -2.545 -11.164 -3.654 292 1HD ARG 38 2HD ARG 38 -3.730 -12.707 -4.892 293 2HD ARG 38 1HD ARG 38 -5.127 -11.870 -4.186 294 HE ARG 38 HE ARG 38 -5.220 -10.473 -6.234 295 1HH1 ARG 38 1HH2 ARG 38 -4.557 -13.703 -6.520 296 2HH1 ARG 38 2HH2 ARG 38 -3.886 -13.628 -8.114 297 1HH2 ARG 38 2HH1 ARG 38 -3.755 -10.165 -8.186 298 2HH2 ARG 38 1HH1 ARG 38 -3.433 -11.626 -9.058 299 H ILE 39 H ILE 39 -1.449 -7.788 -1.980 300 HA ILE 39 HA ILE 39 -3.234 -5.557 -1.089 301 HB ILE 39 HB ILE 39 -1.443 -4.862 0.326 302 1HG1 ILE 39 2HG1 ILE 39 0.222 -6.774 -1.320 303 2HG1 ILE 39 1HG1 ILE 39 0.444 -5.034 -1.128 304 1HG2 ILE 39 1HG2 ILE 39 -1.402 -7.890 0.373 305 2HG2 ILE 39 2HG2 ILE 39 -2.681 -6.905 1.081 306 3HG2 ILE 39 3HG2 ILE 39 -1.040 -6.813 1.721 307 1HD1 ILE 39 1HD1 ILE 39 1.472 -7.185 0.512 308 2HD1 ILE 39 2HD1 ILE 39 0.483 -6.095 1.483 309 3HD1 ILE 39 3HD1 ILE 39 1.855 -5.465 0.571 310 H GLU 40 H GLU 40 -2.082 -3.360 -1.603 311 HA GLU 40 HA GLU 40 -0.418 -3.421 -4.053 312 1HB GLU 40 2HB GLU 40 -3.286 -2.491 -3.860 313 2HB GLU 40 1HB GLU 40 -2.205 -1.861 -5.104 314 1HG GLU 40 2HG GLU 40 -1.706 -4.498 -5.387 315 2HG GLU 40 1HG GLU 40 -3.369 -4.581 -4.809 316 H ARG 41 H ARG 41 0.255 -1.145 -4.641 317 HA ARG 41 HA ARG 41 0.330 0.588 -2.194 318 1HB ARG 41 2HB ARG 41 2.296 -0.397 -4.140 319 2HB ARG 41 1HB ARG 41 2.410 1.341 -3.864 320 1HG ARG 41 2HG ARG 41 2.441 0.894 -1.399 321 2HG ARG 41 1HG ARG 41 2.493 -0.834 -1.754 322 1HD ARG 41 2HD ARG 41 4.716 -0.751 -2.214 323 2HD ARG 41 1HD ARG 41 4.512 0.669 -3.259 324 HE ARG 41 HE ARG 41 5.298 1.903 -1.411 325 1HH1 ARG 41 2HH1 ARG 41 5.058 -1.049 -0.054 326 2HH1 ARG 41 1HH1 ARG 41 4.406 -0.545 1.469 327 1HH2 ARG 41 1HH2 ARG 41 3.732 2.689 0.413 328 2HH2 ARG 41 2HH2 ARG 41 3.655 1.570 1.733 329 H GLY 42 H GLY 42 1.262 2.919 -3.343 330 1HA GLY 42 2HA GLY 42 0.425 4.012 -5.658 331 2HA GLY 42 1HA GLY 42 -1.122 3.822 -4.833 332 H CYS 43 H CYS 43 -1.133 6.246 -5.001 333 HA CYS 43 HA CYS 43 0.292 7.436 -2.647 334 1HB CYS 43 2HB CYS 43 0.162 8.260 -5.530 335 2HB CYS 43 1HB CYS 43 0.280 9.516 -4.297 336 H ALA 44 H ALA 44 -1.366 7.945 -1.252 337 HA ALA 44 HA ALA 44 -3.612 9.596 -2.286 338 1HB ALA 44 1HB ALA 44 -4.434 7.336 -2.478 339 2HB ALA 44 2HB ALA 44 -5.189 8.035 -1.046 340 3HB ALA 44 3HB ALA 44 -3.831 6.923 -0.872 341 H ALA 45 H ALA 45 -5.133 9.792 -0.036 342 HA ALA 45 HA ALA 45 -3.447 10.168 2.352 343 1HB ALA 45 1HB ALA 45 -4.647 12.701 1.875 344 2HB ALA 45 2HB ALA 45 -3.865 12.212 0.372 345 3HB ALA 45 3HB ALA 45 -2.928 12.307 1.864 346 H THR 46 H THR 46 -6.163 9.002 1.279 347 HA THR 46 HA THR 46 -8.013 10.340 3.202 348 HB THR 46 HB THR 46 -8.717 8.176 1.227 349 HG1 THR 46 HG1 THR 46 -8.254 10.922 0.706 350 1HG2 THR 46 1HG2 THR 46 -10.431 10.519 1.455 351 2HG2 THR 46 2HG2 THR 46 -10.155 9.754 3.020 352 3HG2 THR 46 3HG2 THR 46 -10.828 8.817 1.686 353 H CYS 47 H CYS 47 -6.399 7.284 2.522 354 HA CYS 47 HA CYS 47 -6.495 5.195 3.632 355 1HB CYS 47 2HB CYS 47 -6.452 6.997 6.051 356 2HB CYS 47 1HB CYS 47 -5.569 5.504 5.770 357 HA PRO 48 HA PRO 48 -10.936 5.297 4.724 358 1HB PRO 48 2HB PRO 48 -11.531 2.936 3.478 359 2HB PRO 48 1HB PRO 48 -11.485 4.492 2.624 360 1HG PRO 48 2HG PRO 48 -9.461 2.315 2.703 361 2HG PRO 48 1HG PRO 48 -9.939 3.365 1.361 362 1HD PRO 48 2HD PRO 48 -7.664 3.718 2.842 363 2HD PRO 48 1HD PRO 48 -8.503 5.027 1.982 364 H LYS 49 H LYS 49 -12.088 2.789 5.271 365 HA LYS 49 HA LYS 49 -10.318 1.729 7.452 366 1HB LYS 49 2HB LYS 49 -13.196 2.559 7.306 367 2HB LYS 49 1HB LYS 49 -12.755 1.263 8.417 368 1HG LYS 49 2HG LYS 49 -12.286 2.969 9.851 369 2HG LYS 49 1HG LYS 49 -10.782 3.078 8.934 370 1HD LYS 49 2HD LYS 49 -12.792 4.497 7.485 371 2HD LYS 49 1HD LYS 49 -12.855 5.036 9.163 372 1HE LYS 49 2HE LYS 49 -10.162 4.758 7.864 373 2HE LYS 49 1HE LYS 49 -11.154 6.178 7.479 374 1HZ LYS 49 1HZ LYS 49 -9.934 5.408 10.000 375 2HZ LYS 49 2HZ LYS 49 -11.525 5.996 10.111 376 3HZ LYS 49 3HZ LYS 49 -10.311 6.952 9.407 377 H GLY 50 H GLY 50 -11.716 -0.480 8.200 378 1HA GLY 50 2HA GLY 50 -12.640 -2.013 5.887 379 2HA GLY 50 1HA GLY 50 -11.059 -2.520 6.482 380 H SER 51 H SER 51 -11.865 -4.562 7.199 381 HA SER 51 HA SER 51 -13.638 -4.395 9.618 382 1HB SER 51 2HB SER 51 -13.965 -6.927 8.606 383 2HB SER 51 1HB SER 51 -15.023 -5.567 8.234 384 HG SER 51 HG SER 51 -12.745 -6.445 6.781 385 H VAL 52 H VAL 52 -13.355 -6.848 10.678 386 HA VAL 52 HA VAL 52 -10.937 -6.914 12.052 387 HB VAL 52 HB VAL 52 -13.099 -8.283 12.317 388 1HG1 VAL 52 1HG1 VAL 52 -11.598 -10.140 10.447 389 2HG1 VAL 52 2HG1 VAL 52 -13.032 -9.216 9.998 390 3HG1 VAL 52 3HG1 VAL 52 -13.141 -10.469 11.235 391 1HG2 VAL 52 1HG2 VAL 52 -10.715 -8.577 13.457 392 2HG2 VAL 52 2HG2 VAL 52 -10.725 -10.093 12.556 393 3HG2 VAL 52 3HG2 VAL 52 -11.998 -9.757 13.730 394 H TYR 53 H TYR 53 -11.674 -8.393 8.899 395 HA TYR 53 HA TYR 53 -8.820 -8.384 8.184 396 1HB TYR 53 2HB TYR 53 -10.413 -10.882 8.788 397 2HB TYR 53 1HB TYR 53 -8.988 -10.926 7.751 398 HD1 TYR 53 HD1 TYR 53 -10.018 -11.471 11.001 399 HD2 TYR 53 HD2 TYR 53 -6.966 -9.381 8.816 400 HE1 TYR 53 HE1 TYR 53 -8.557 -11.508 13.005 401 HE2 TYR 53 HE2 TYR 53 -5.506 -9.419 10.820 402 HH TYR 53 HH TYR 53 -5.515 -11.223 13.068 403 H GLY 54 H GLY 54 -10.394 -6.920 6.724 404 1HA GLY 54 2HA GLY 54 -11.035 -8.578 4.331 405 2HA GLY 54 1HA GLY 54 -12.222 -7.414 4.919 406 H LEU 55 H LEU 55 -10.603 -5.258 5.589 407 HA LEU 55 HA LEU 55 -9.081 -4.631 3.093 408 1HB LEU 55 2HB LEU 55 -11.666 -3.619 4.006 409 2HB LEU 55 1HB LEU 55 -10.506 -2.318 3.736 410 HG LEU 55 HG LEU 55 -11.668 -2.750 1.649 411 1HD1 LEU 55 1HD1 LEU 55 -8.876 -2.911 1.996 412 2HD1 LEU 55 2HD1 LEU 55 -9.738 -2.486 0.517 413 3HD1 LEU 55 3HD1 LEU 55 -9.279 -4.162 0.820 414 1HD2 LEU 55 1HD2 LEU 55 -10.636 -5.485 1.288 415 2HD2 LEU 55 2HD2 LEU 55 -12.232 -4.830 0.922 416 3HD2 LEU 55 3HD2 LEU 55 -11.845 -5.342 2.565 417 H TYR 56 H TYR 56 -7.066 -4.283 4.012 418 HA TYR 56 HA TYR 56 -6.932 -2.475 6.404 419 1HB TYR 56 2HB TYR 56 -6.083 -4.634 6.952 420 2HB TYR 56 1HB TYR 56 -5.250 -4.783 5.405 421 HD1 TYR 56 HD1 TYR 56 -5.288 -1.673 7.393 422 HD2 TYR 56 HD2 TYR 56 -3.038 -5.172 6.328 423 HE1 TYR 56 HE1 TYR 56 -3.252 -0.665 8.386 424 HE2 TYR 56 HE2 TYR 56 -1.001 -4.166 7.322 425 HH TYR 56 HH TYR 56 -0.349 -2.494 8.875 426 H VAL 57 H VAL 57 -6.489 -0.436 5.585 427 HA VAL 57 HA VAL 57 -4.474 -0.219 3.380 428 HB VAL 57 HB VAL 57 -6.863 0.650 3.158 429 1HG1 VAL 57 1HG1 VAL 57 -6.497 1.619 5.657 430 2HG1 VAL 57 2HG1 VAL 57 -7.653 2.314 4.522 431 3HG1 VAL 57 3HG1 VAL 57 -6.063 3.049 4.720 432 1HG2 VAL 57 1HG2 VAL 57 -5.225 3.079 2.912 433 2HG2 VAL 57 2HG2 VAL 57 -6.057 2.155 1.661 434 3HG2 VAL 57 3HG2 VAL 57 -4.464 1.647 2.219 435 H LEU 58 H LEU 58 -2.572 0.897 3.777 436 HA LEU 58 HA LEU 58 -2.340 2.382 6.374 437 1HB LEU 58 2HB LEU 58 -1.371 -0.050 6.131 438 2HB LEU 58 1HB LEU 58 -0.099 0.747 5.204 439 HG LEU 58 HG LEU 58 0.583 0.612 7.541 440 1HD1 LEU 58 1HD1 LEU 58 -0.262 3.473 7.286 441 2HD1 LEU 58 2HD1 LEU 58 0.793 2.799 6.044 442 3HD1 LEU 58 3HD1 LEU 58 1.309 2.804 7.730 443 1HD2 LEU 58 1HD2 LEU 58 -1.390 2.447 8.643 444 2HD2 LEU 58 2HD2 LEU 58 -0.877 0.871 9.246 445 3HD2 LEU 58 3HD2 LEU 58 -2.154 0.978 8.035 446 H CYS 59 H CYS 59 -1.864 4.483 5.855 447 HA CYS 59 HA CYS 59 -0.451 5.078 3.303 448 1HB CYS 59 2HB CYS 59 -1.654 6.980 5.330 449 2HB CYS 59 1HB CYS 59 -1.329 7.289 3.626 450 H CYS 60 H CYS 60 1.647 5.846 3.290 451 HA CYS 60 HA CYS 60 2.878 6.572 5.928 452 1HB CYS 60 2HB CYS 60 3.333 4.250 4.704 453 2HB CYS 60 1HB CYS 60 4.442 5.234 3.752 454 H THR 61 H THR 61 4.706 8.071 5.719 455 HA THR 61 HA THR 61 5.216 9.338 3.129 456 HB THR 61 HB THR 61 3.074 10.319 3.947 457 HG1 THR 61 HG1 THR 61 3.939 11.919 2.910 458 1HG2 THR 61 1HG2 THR 61 2.875 11.367 6.023 459 2HG2 THR 61 2HG2 THR 61 4.617 11.591 6.187 460 3HG2 THR 61 3HG2 THR 61 3.909 9.991 6.409 461 H THR 62 H THR 62 7.165 8.119 4.428 462 HA THR 62 HA THR 62 8.773 10.334 5.614 463 HB THR 62 HB THR 62 8.186 7.619 6.829 464 HG1 THR 62 HG1 THR 62 6.703 8.944 7.585 465 1HG2 THR 62 1HG2 THR 62 10.623 8.999 6.907 466 2HG2 THR 62 2HG2 THR 62 10.111 7.707 7.993 467 3HG2 THR 62 3HG2 THR 62 9.831 9.392 8.433 468 H ASP 63 H ASP 63 9.350 6.822 5.459 469 HA ASP 63 HA ASP 63 11.441 7.296 3.368 470 1HB ASP 63 2HB ASP 63 12.416 7.322 5.648 471 2HB ASP 63 1HB ASP 63 11.720 5.730 5.954 472 H ASP 64 H ASP 64 11.497 5.664 1.814 473 HA ASP 64 HA ASP 64 10.900 3.652 0.711 474 1HB ASP 64 2HB ASP 64 11.203 3.088 3.577 475 2HB ASP 64 1HB ASP 64 10.167 1.926 2.747 476 H CYS 65 H CYS 65 8.662 3.439 3.536 477 HA CYS 65 HA CYS 65 6.403 2.781 1.887 478 1HB CYS 65 2HB CYS 65 5.182 3.130 4.017 479 2HB CYS 65 1HB CYS 65 6.668 2.219 4.286 480 H ASN 66 HN ASN 66 7.960 5.762 2.617 481 HA ASN 66 HA ASN 66 5.799 7.612 2.528 482 1HB ASN 66 2HB ASN 66 7.532 9.195 2.324 483 2HB ASN 66 1HB ASN 66 8.351 7.823 3.065 484 1HD2 ASN 66 1HD2 ASN 66 10.200 7.107 2.006 485 2HD2 ASN 66 2HD2 ASN 66 10.596 7.458 0.395 Start of MODEL 17 1 1H MET 1 1H MET 1 11.545 10.283 1.815 2 2H MET 1 2H MET 1 12.601 10.780 0.579 3 3H MET 1 3H MET 1 11.916 9.225 0.542 4 HA MET 1 HA MET 1 9.704 10.767 0.632 5 1HB MET 1 2HB MET 1 11.788 12.513 0.272 6 2HB MET 1 1HB MET 1 11.321 12.185 -1.397 7 1HG MET 1 2HG MET 1 9.580 13.587 -1.159 8 2HG MET 1 1HG MET 1 8.918 12.519 0.079 9 1HE MET 1 1HE MET 1 9.133 12.456 2.129 10 2HE MET 1 2HE MET 1 8.587 13.973 2.839 11 3HE MET 1 3HE MET 1 10.190 13.354 3.227 12 H LYS 2 H LYS 2 9.974 8.275 -0.151 13 HA LYS 2 HA LYS 2 9.530 8.346 -3.097 14 1HB LYS 2 2HB LYS 2 11.639 6.861 -1.551 15 2HB LYS 2 1HB LYS 2 10.982 6.136 -3.019 16 1HG LYS 2 2HG LYS 2 11.868 7.771 -4.392 17 2HG LYS 2 1HG LYS 2 11.827 9.002 -3.131 18 1HD LYS 2 2HD LYS 2 13.666 6.620 -2.930 19 2HD LYS 2 1HD LYS 2 14.143 8.075 -3.805 20 1HE LYS 2 2HE LYS 2 13.400 9.329 -1.623 21 2HE LYS 2 1HE LYS 2 13.604 7.739 -0.862 22 1HZ LYS 2 1HZ LYS 2 15.601 9.431 -2.185 23 2HZ LYS 2 2HZ LYS 2 15.777 7.745 -2.298 24 3HZ LYS 2 3HZ LYS 2 15.744 8.500 -0.775 25 H CYS 3 H CYS 3 8.906 5.876 -3.699 26 HA CYS 3 HA CYS 3 7.361 4.576 -1.524 27 1HB CYS 3 2HB CYS 3 6.207 5.891 -3.999 28 2HB CYS 3 1HB CYS 3 5.315 4.691 -3.066 29 H LYS 4 H LYS 4 8.170 2.509 -1.785 30 HA LYS 4 HA LYS 4 8.894 1.463 -4.431 31 1HB LYS 4 2HB LYS 4 10.129 1.026 -2.293 32 2HB LYS 4 1HB LYS 4 8.727 0.128 -1.710 33 1HG LYS 4 2HG LYS 4 9.208 -1.685 -2.987 34 2HG LYS 4 1HG LYS 4 9.632 -0.696 -4.385 35 1HD LYS 4 2HD LYS 4 11.845 -0.671 -3.856 36 2HD LYS 4 1HD LYS 4 11.528 -0.510 -2.128 37 1HE LYS 4 2HE LYS 4 12.596 -2.718 -2.788 38 2HE LYS 4 1HE LYS 4 11.044 -2.896 -1.944 39 1HZ LYS 4 1HZ LYS 4 9.908 -3.199 -3.958 40 2HZ LYS 4 2HZ LYS 4 11.295 -4.168 -4.106 41 3HZ LYS 4 3HZ LYS 4 11.218 -2.663 -4.891 42 H ILE 5 H ILE 5 7.369 0.574 -5.763 43 HA ILE 5 HA ILE 5 4.877 -0.545 -4.537 44 HB ILE 5 HB ILE 5 5.404 0.224 -7.418 45 1HG1 ILE 5 2HG1 ILE 5 5.907 2.132 -5.888 46 2HG1 ILE 5 1HG1 ILE 5 4.485 2.431 -6.887 47 1HG2 ILE 5 1HG2 ILE 5 3.397 -1.135 -6.974 48 2HG2 ILE 5 2HG2 ILE 5 2.945 0.504 -7.438 49 3HG2 ILE 5 3HG2 ILE 5 2.880 0.019 -5.744 50 1HD1 ILE 5 1HD1 ILE 5 3.418 2.901 -4.947 51 2HD1 ILE 5 2HD1 ILE 5 4.693 2.165 -3.975 52 3HD1 ILE 5 3HD1 ILE 5 3.423 1.159 -4.670 53 H CYS 6 H CYS 6 4.494 -2.725 -4.752 54 HA CYS 6 HA CYS 6 5.959 -4.256 -6.851 55 1HB CYS 6 2HB CYS 6 6.889 -5.739 -5.223 56 2HB CYS 6 1HB CYS 6 7.163 -4.124 -4.580 57 H ASN 7 H ASN 7 5.117 -6.814 -6.067 58 HA ASN 7 HA ASN 7 2.346 -6.969 -5.301 59 1HB ASN 7 2HB ASN 7 2.869 -5.927 -7.870 60 2HB ASN 7 1HB ASN 7 2.303 -7.576 -8.133 61 1HD2 ASN 7 1HD2 ASN 7 0.349 -6.290 -9.059 62 2HD2 ASN 7 2HD2 ASN 7 -0.869 -5.852 -7.961 63 H PHE 8 H PHE 8 1.534 -9.110 -6.942 64 HA PHE 8 HA PHE 8 1.813 -11.434 -7.256 65 1HB PHE 8 2HB PHE 8 4.761 -10.853 -6.870 66 2HB PHE 8 1HB PHE 8 4.031 -12.152 -7.812 67 HD1 PHE 8 HD1 PHE 8 5.090 -8.681 -7.808 68 HD2 PHE 8 HD2 PHE 8 2.715 -11.593 -9.891 69 HE1 PHE 8 HE1 PHE 8 5.053 -7.219 -9.813 70 HE2 PHE 8 HE2 PHE 8 2.679 -10.131 -11.894 71 HZ PHE 8 HZ PHE 8 3.849 -7.944 -11.855 72 H ASP 9 H ASP 9 0.945 -10.931 -4.799 73 HA ASP 9 HA ASP 9 0.806 -11.964 -2.671 74 1HB ASP 9 2HB ASP 9 1.821 -13.836 -4.182 75 2HB ASP 9 1HB ASP 9 3.335 -13.446 -3.365 76 H THR 10 H THR 10 4.159 -11.102 -3.642 77 HA THR 10 HA THR 10 4.467 -9.785 -0.984 78 HB THR 10 HB THR 10 6.775 -10.645 -1.009 79 HG1 THR 10 HG1 THR 10 5.975 -11.429 -3.552 80 1HG2 THR 10 1HG2 THR 10 4.603 -12.050 -0.345 81 2HG2 THR 10 2HG2 THR 10 6.219 -12.751 -0.266 82 3HG2 THR 10 3HG2 THR 10 5.184 -13.076 -1.656 83 H CYS 11 H CYS 11 7.043 -9.897 -3.328 84 HA CYS 11 HA CYS 11 6.288 -7.327 -4.569 85 1HB CYS 11 2HB CYS 11 8.542 -7.723 -2.592 86 2HB CYS 11 1HB CYS 11 8.545 -6.389 -3.744 87 H ARG 12 H ARG 12 6.429 -8.812 -6.463 88 HA ARG 12 HA ARG 12 9.176 -9.740 -7.150 89 1HB ARG 12 2HB ARG 12 6.361 -10.373 -7.897 90 2HB ARG 12 1HB ARG 12 7.587 -10.625 -9.140 91 1HG ARG 12 2HG ARG 12 8.470 -11.620 -6.549 92 2HG ARG 12 1HG ARG 12 6.965 -12.384 -7.062 93 1HD ARG 12 2HD ARG 12 8.083 -12.773 -9.331 94 2HD ARG 12 1HD ARG 12 9.607 -12.317 -8.543 95 HE ARG 12 HE ARG 12 7.881 -14.498 -7.434 96 1HH1 ARG 12 1HH2 ARG 12 10.656 -13.150 -6.549 97 2HH1 ARG 12 2HH2 ARG 12 11.697 -14.501 -6.846 98 1HH2 ARG 12 2HH1 ARG 12 9.322 -16.274 -8.646 99 2HH2 ARG 12 1HH1 ARG 12 10.941 -16.270 -8.032 100 H ALA 13 H ALA 13 7.386 -6.970 -7.532 101 HA ALA 13 HA ALA 13 8.190 -6.450 -10.344 102 1HB ALA 13 1HB ALA 13 6.027 -5.786 -8.715 103 2HB ALA 13 2HB ALA 13 6.383 -5.079 -10.290 104 3HB ALA 13 3HB ALA 13 6.945 -4.283 -8.820 105 H GLY 14 H GLY 14 8.294 -4.384 -7.424 106 1HA GLY 14 2HA GLY 14 10.228 -3.358 -6.454 107 2HA GLY 14 1HA GLY 14 11.196 -3.969 -7.797 108 H GLU 15 H GLU 15 8.162 -2.154 -8.046 109 HA GLU 15 HA GLU 15 9.599 -0.128 -9.695 110 1HB GLU 15 2HB GLU 15 7.480 -1.530 -10.329 111 2HB GLU 15 1HB GLU 15 6.620 -0.369 -9.316 112 1HG GLU 15 2HG GLU 15 6.498 0.699 -11.372 113 2HG GLU 15 1HG GLU 15 7.989 1.396 -10.737 114 H LEU 16 H LEU 16 10.466 1.253 -8.058 115 HA LEU 16 HA LEU 16 8.568 2.392 -6.064 116 1HB LEU 16 2HB LEU 16 10.644 1.610 -5.166 117 2HB LEU 16 1HB LEU 16 11.571 2.386 -6.450 118 HG LEU 16 HG LEU 16 9.846 4.185 -4.843 119 1HD1 LEU 16 1HD1 LEU 16 12.306 2.819 -3.716 120 2HD1 LEU 16 2HD1 LEU 16 10.676 2.792 -3.044 121 3HD1 LEU 16 3HD1 LEU 16 11.604 4.292 -3.043 122 1HD2 LEU 16 1HD2 LEU 16 12.763 4.342 -5.660 123 2HD2 LEU 16 2HD2 LEU 16 11.735 5.677 -5.137 124 3HD2 LEU 16 3HD2 LEU 16 11.428 4.881 -6.680 125 H LYS 17 H LYS 17 8.385 4.729 -5.869 126 HA LYS 17 HA LYS 17 9.444 6.365 -8.113 127 1HB LYS 17 2HB LYS 17 6.982 5.186 -8.271 128 2HB LYS 17 1HB LYS 17 6.565 6.719 -7.503 129 1HG LYS 17 2HG LYS 17 6.936 7.884 -9.403 130 2HG LYS 17 1HG LYS 17 8.466 7.057 -9.699 131 1HD LYS 17 2HD LYS 17 5.808 5.706 -10.189 132 2HD LYS 17 1HD LYS 17 6.600 6.682 -11.428 133 1HE LYS 17 2HE LYS 17 8.670 5.242 -11.102 134 2HE LYS 17 1HE LYS 17 7.667 4.169 -10.106 135 1HZ LYS 17 1HZ LYS 17 7.212 4.948 -12.936 136 2HZ LYS 17 2HZ LYS 17 6.044 4.161 -11.984 137 3HZ LYS 17 3HZ LYS 17 7.517 3.391 -12.335 138 H VAL 18 H VAL 18 7.628 8.558 -7.440 139 HA VAL 18 HA VAL 18 8.251 9.115 -4.581 140 HB VAL 18 HB VAL 18 8.989 10.983 -6.846 141 1HG1 VAL 18 1HG1 VAL 18 10.628 11.518 -4.736 142 2HG1 VAL 18 2HG1 VAL 18 9.178 10.976 -3.892 143 3HG1 VAL 18 3HG1 VAL 18 9.091 12.336 -5.010 144 1HG2 VAL 18 1HG2 VAL 18 10.400 9.132 -7.238 145 2HG2 VAL 18 2HG2 VAL 18 10.542 8.763 -5.519 146 3HG2 VAL 18 3HG2 VAL 18 11.371 10.167 -6.190 147 H CYS 19 H CYS 19 6.662 10.366 -3.631 148 HA CYS 19 HA CYS 19 5.035 12.306 -4.971 149 1HB CYS 19 2HB CYS 19 2.943 10.893 -5.072 150 2HB CYS 19 1HB CYS 19 4.202 10.385 -6.198 151 H ALA 20 H ALA 20 6.387 11.724 -2.372 152 HA ALA 20 HA ALA 20 4.017 12.002 -0.549 153 1HB ALA 20 1HB ALA 20 5.906 11.150 1.111 154 2HB ALA 20 2HB ALA 20 6.646 10.565 -0.380 155 3HB ALA 20 3HB ALA 20 5.039 10.006 0.087 156 H SER 21 H SER 21 4.591 14.371 -1.516 157 HA SER 21 HA SER 21 5.650 15.904 0.680 158 1HB SER 21 2HB SER 21 7.621 14.697 -0.694 159 2HB SER 21 1HB SER 21 7.433 16.129 -1.703 160 HG SER 21 HG SER 21 7.735 17.394 0.158 161 H GLY 22 H GLY 22 3.571 16.931 0.112 162 1HA GLY 22 2HA GLY 22 3.812 19.305 -1.399 163 2HA GLY 22 1HA GLY 22 3.057 18.105 -2.450 164 H GLU 23 H GLU 23 1.634 16.712 -0.360 165 HA GLU 23 HA GLU 23 -0.002 18.498 1.201 166 1HB GLU 23 2HB GLU 23 -0.445 18.881 -1.402 167 2HB GLU 23 1HB GLU 23 -1.483 17.470 -1.190 168 1HG GLU 23 2HG GLU 23 -1.879 19.310 0.999 169 2HG GLU 23 1HG GLU 23 -2.095 20.150 -0.537 170 H LYS 24 H LYS 24 -0.101 15.501 -0.752 171 HA LYS 24 HA LYS 24 -1.644 14.167 1.429 172 1HB LYS 24 2HB LYS 24 -2.183 12.553 -0.300 173 2HB LYS 24 1HB LYS 24 -2.387 14.165 -0.987 174 1HG LYS 24 2HG LYS 24 -0.145 14.029 -1.999 175 2HG LYS 24 1HG LYS 24 0.077 12.423 -1.302 176 1HD LYS 24 2HD LYS 24 -1.220 11.429 -2.877 177 2HD LYS 24 1HD LYS 24 -2.419 12.723 -2.834 178 1HE LYS 24 2HE LYS 24 -1.112 12.491 -5.032 179 2HE LYS 24 1HE LYS 24 -1.092 14.108 -4.302 180 1HZ LYS 24 1HZ LYS 24 1.048 13.901 -3.660 181 2HZ LYS 24 2HZ LYS 24 1.126 12.787 -4.940 182 3HZ LYS 24 3HZ LYS 24 0.919 12.240 -3.345 183 H TYR 25 H TYR 25 -0.785 11.516 0.717 184 HA TYR 25 HA TYR 25 2.146 11.462 1.171 185 1HB TYR 25 2HB TYR 25 1.691 10.002 3.218 186 2HB TYR 25 1HB TYR 25 1.289 11.709 3.402 187 HD1 TYR 25 HD1 TYR 25 -0.882 12.353 4.026 188 HD2 TYR 25 HD2 TYR 25 -0.214 8.420 2.431 189 HE1 TYR 25 HE1 TYR 25 -3.232 11.748 4.531 190 HE2 TYR 25 HE2 TYR 25 -2.565 7.816 2.937 191 HH TYR 25 HH TYR 25 -4.778 10.167 4.458 192 H CYS 26 H CYS 26 2.589 8.872 1.682 193 HA CYS 26 HA CYS 26 1.389 7.477 -0.667 194 1HB CYS 26 2HB CYS 26 3.963 7.772 0.388 195 2HB CYS 26 1HB CYS 26 3.512 6.122 0.813 196 H PHE 27 H PHE 27 0.388 5.396 -0.396 197 HA PHE 27 HA PHE 27 0.118 4.315 2.347 198 1HB PHE 27 2HB PHE 27 -2.260 4.615 2.415 199 2HB PHE 27 1HB PHE 27 -1.585 6.170 1.923 200 HD1 PHE 27 HD1 PHE 27 -1.188 6.350 -0.744 201 HD2 PHE 27 HD2 PHE 27 -4.067 3.817 1.190 202 HE1 PHE 27 HE1 PHE 27 -2.520 6.267 -2.836 203 HE2 PHE 27 HE2 PHE 27 -5.399 3.733 -0.900 204 HZ PHE 27 HZ PHE 27 -4.625 4.958 -2.913 205 H LYS 28 H LYS 28 -0.189 2.116 2.317 206 HA LYS 28 HA LYS 28 -0.609 0.822 -0.354 207 1HB LYS 28 2HB LYS 28 0.718 -0.996 0.570 208 2HB LYS 28 1HB LYS 28 1.572 0.515 0.886 209 1HG LYS 28 2HG LYS 28 0.720 0.575 3.166 210 2HG LYS 28 1HG LYS 28 -0.270 -0.854 2.867 211 1HD LYS 28 2HD LYS 28 2.549 -1.264 2.184 212 2HD LYS 28 1HD LYS 28 2.307 -0.874 3.887 213 1HE LYS 28 2HE LYS 28 0.251 -2.689 3.296 214 2HE LYS 28 1HE LYS 28 1.687 -3.345 2.483 215 1HZ LYS 28 1HZ LYS 28 1.943 -2.225 5.190 216 2HZ LYS 28 2HZ LYS 28 2.879 -3.422 4.429 217 3HZ LYS 28 3HZ LYS 28 1.326 -3.794 5.007 218 H GLU 29 H GLU 29 -1.954 -1.168 -0.304 219 HA GLU 29 HA GLU 29 -3.663 -1.503 2.112 220 1HB GLU 29 2HB GLU 29 -5.683 -1.244 0.719 221 2HB GLU 29 1HB GLU 29 -4.693 0.214 0.651 222 1HG GLU 29 2HG GLU 29 -3.611 -1.129 -1.418 223 2HG GLU 29 1HG GLU 29 -5.240 -1.803 -1.467 224 H SER 30 H SER 30 -3.946 -3.664 2.470 225 HA SER 30 HA SER 30 -3.572 -5.542 0.158 226 1HB SER 30 2HB SER 30 -2.053 -5.322 2.376 227 2HB SER 30 1HB SER 30 -3.285 -6.419 2.995 228 HG SER 30 HG SER 30 -2.201 -6.921 0.467 229 H TRP 31 H TRP 31 -5.317 -6.855 -0.303 230 HA TRP 31 HA TRP 31 -7.673 -6.715 1.522 231 1HB TRP 31 2HB TRP 31 -7.297 -7.617 -1.352 232 2HB TRP 31 1HB TRP 31 -8.850 -7.548 -0.517 233 HD1 TRP 31 HD1 TRP 31 -7.018 -5.603 -2.858 234 HE1 TRP 31 HE1 TRP 31 -7.583 -3.091 -2.722 235 HE3 TRP 31 HE3 TRP 31 -9.333 -5.464 1.692 236 HZ2 TRP 31 HZ2 TRP 31 -8.853 -1.265 -0.923 237 HZ3 TRP 31 HZ3 TRP 31 -10.212 -3.328 2.591 238 HH2 TRP 31 HH2 TRP 31 -9.975 -1.231 1.290 239 H ARG 32 H ARG 32 -8.452 -8.556 2.536 240 HA ARG 32 HA ARG 32 -6.864 -11.065 2.186 241 1HB ARG 32 2HB ARG 32 -7.304 -9.693 4.402 242 2HB ARG 32 1HB ARG 32 -8.854 -10.536 4.376 243 1HG ARG 32 2HG ARG 32 -7.584 -12.701 4.137 244 2HG ARG 32 1HG ARG 32 -6.096 -11.790 4.399 245 1HD ARG 32 2HD ARG 32 -6.466 -12.196 6.615 246 2HD ARG 32 1HD ARG 32 -7.715 -10.940 6.491 247 HE ARG 32 HE ARG 32 -8.204 -13.871 6.323 248 1HH1 ARG 32 2HH1 ARG 32 -9.375 -11.604 8.173 249 2HH1 ARG 32 1HH1 ARG 32 -11.003 -11.576 7.583 250 1HH2 ARG 32 1HH2 ARG 32 -10.285 -13.417 4.735 251 2HH2 ARG 32 2HH2 ARG 32 -11.518 -12.601 5.637 252 H GLU 33 H GLU 33 -7.848 -12.509 0.815 253 HA GLU 33 HA GLU 33 -10.841 -12.584 0.735 254 1HB GLU 33 2HB GLU 33 -8.890 -12.362 -1.235 255 2HB GLU 33 1HB GLU 33 -9.347 -14.065 -1.304 256 1HG GLU 33 2HG GLU 33 -11.500 -11.983 -1.133 257 2HG GLU 33 1HG GLU 33 -10.716 -12.283 -2.685 258 H ALA 34 H ALA 34 -11.844 -14.729 0.679 259 HA ALA 34 HA ALA 34 -10.644 -16.613 2.534 260 1HB ALA 34 1HB ALA 34 -12.742 -17.729 2.298 261 2HB ALA 34 2HB ALA 34 -13.000 -17.055 0.688 262 3HB ALA 34 3HB ALA 34 -13.111 -16.015 2.108 263 H ARG 35 H ARG 35 -10.249 -16.110 -0.806 264 HA ARG 35 HA ARG 35 -9.425 -18.964 -1.227 265 1HB ARG 35 2HB ARG 35 -11.298 -17.886 -2.596 266 2HB ARG 35 1HB ARG 35 -10.055 -16.860 -3.310 267 1HG ARG 35 2HG ARG 35 -8.852 -19.232 -3.651 268 2HG ARG 35 1HG ARG 35 -10.529 -19.783 -3.657 269 1HD ARG 35 2HD ARG 35 -10.562 -19.176 -5.852 270 2HD ARG 35 1HD ARG 35 -10.565 -17.498 -5.273 271 HE ARG 35 HE ARG 35 -7.965 -18.932 -5.564 272 1HH1 ARG 35 1HH2 ARG 35 -9.150 -17.885 -8.149 273 2HH1 ARG 35 2HH2 ARG 35 -8.428 -16.313 -8.247 274 1HH2 ARG 35 2HH1 ARG 35 -7.459 -16.259 -4.918 275 2HH2 ARG 35 1HH1 ARG 35 -7.471 -15.394 -6.418 276 H GLY 36 H GLY 36 -8.170 -15.943 -0.583 277 1HA GLY 36 2HA GLY 36 -5.480 -16.578 -0.903 278 2HA GLY 36 1HA GLY 36 -5.956 -15.887 -2.454 279 H THR 37 H THR 37 -4.310 -14.207 -1.731 280 HA THR 37 HA THR 37 -5.737 -12.059 -0.216 281 HB THR 37 HB THR 37 -2.794 -12.438 0.152 282 HG1 THR 37 HG1 THR 37 -3.607 -14.521 0.428 283 1HG2 THR 37 1HG2 THR 37 -3.214 -11.443 2.256 284 2HG2 THR 37 2HG2 THR 37 -4.927 -11.859 2.205 285 3HG2 THR 37 3HG2 THR 37 -4.294 -10.594 1.150 286 H ARG 38 H ARG 38 -5.213 -9.942 -0.941 287 HA ARG 38 HA ARG 38 -3.465 -9.811 -3.380 288 1HB ARG 38 2HB ARG 38 -6.089 -8.454 -2.686 289 2HB ARG 38 1HB ARG 38 -5.110 -8.021 -4.090 290 1HG ARG 38 2HG ARG 38 -6.084 -10.839 -3.556 291 2HG ARG 38 1HG ARG 38 -6.967 -9.686 -4.558 292 1HD ARG 38 2HD ARG 38 -5.256 -9.615 -6.196 293 2HD ARG 38 1HD ARG 38 -4.056 -10.319 -5.093 294 HE ARG 38 HE ARG 38 -6.429 -11.856 -6.092 295 1HH1 ARG 38 2HH1 ARG 38 -4.369 -12.576 -3.795 296 2HH1 ARG 38 1HH1 ARG 38 -3.452 -13.789 -4.625 297 1HH2 ARG 38 1HH2 ARG 38 -4.718 -12.989 -7.751 298 2HH2 ARG 38 2HH2 ARG 38 -3.649 -14.022 -6.863 299 H ILE 39 H ILE 39 -2.227 -7.854 -3.603 300 HA ILE 39 HA ILE 39 -2.243 -5.996 -1.261 301 HB ILE 39 HB ILE 39 -0.560 -7.921 -1.106 302 1HG1 ILE 39 2HG1 ILE 39 0.557 -5.100 -1.227 303 2HG1 ILE 39 1HG1 ILE 39 -0.339 -5.771 0.137 304 1HG2 ILE 39 1HG2 ILE 39 0.942 -6.331 -3.191 305 2HG2 ILE 39 2HG2 ILE 39 -0.051 -7.723 -3.623 306 3HG2 ILE 39 3HG2 ILE 39 1.331 -7.925 -2.546 307 1HD1 ILE 39 1HD1 ILE 39 1.434 -6.998 0.856 308 2HD1 ILE 39 2HD1 ILE 39 2.388 -5.887 -0.126 309 3HD1 ILE 39 3HD1 ILE 39 1.904 -7.450 -0.783 310 H GLU 40 H GLU 40 -2.240 -3.905 -1.992 311 HA GLU 40 HA GLU 40 -0.922 -3.300 -4.608 312 1HB GLU 40 2HB GLU 40 -3.285 -3.617 -5.053 313 2HB GLU 40 1HB GLU 40 -3.724 -2.598 -3.682 314 1HG GLU 40 2HG GLU 40 -2.348 -0.756 -4.891 315 2HG GLU 40 1HG GLU 40 -2.508 -1.784 -6.316 316 H ARG 41 H ARG 41 -0.182 -1.093 -4.759 317 HA ARG 41 HA ARG 41 -0.364 0.508 -2.231 318 1HB ARG 41 2HB ARG 41 2.057 -0.219 -3.907 319 2HB ARG 41 1HB ARG 41 2.085 1.015 -2.646 320 1HG ARG 41 2HG ARG 41 1.859 -0.526 -0.937 321 2HG ARG 41 1HG ARG 41 0.986 -1.676 -1.950 322 1HD ARG 41 2HD ARG 41 3.072 -2.730 -1.773 323 2HD ARG 41 1HD ARG 41 3.309 -1.777 -3.251 324 HE ARG 41 HE ARG 41 4.341 -0.007 -1.791 325 1HH1 ARG 41 2HH1 ARG 41 5.027 -3.251 -1.434 326 2HH1 ARG 41 1HH1 ARG 41 5.807 -3.108 0.105 327 1HH2 ARG 41 1HH2 ARG 41 4.891 0.205 0.560 328 2HH2 ARG 41 2HH2 ARG 41 5.728 -1.154 1.236 329 H GLY 42 H GLY 42 0.897 2.767 -2.905 330 1HA GLY 42 2HA GLY 42 0.906 3.853 -5.435 331 2HA GLY 42 1HA GLY 42 -0.800 3.911 -4.989 332 H CYS 43 H CYS 43 -0.853 6.200 -4.858 333 HA CYS 43 HA CYS 43 0.401 7.303 -2.387 334 1HB CYS 43 2HB CYS 43 1.353 7.694 -5.004 335 2HB CYS 43 1HB CYS 43 0.484 9.177 -4.609 336 H ALA 44 H ALA 44 -1.152 8.429 -1.265 337 HA ALA 44 HA ALA 44 -3.154 10.057 -2.679 338 1HB ALA 44 1HB ALA 44 -5.055 8.751 -1.937 339 2HB ALA 44 2HB ALA 44 -4.014 7.691 -0.987 340 3HB ALA 44 3HB ALA 44 -3.942 7.651 -2.750 341 H ALA 45 H ALA 45 -4.987 10.243 -0.529 342 HA ALA 45 HA ALA 45 -3.340 11.022 1.834 343 1HB ALA 45 1HB ALA 45 -3.675 13.237 1.469 344 2HB ALA 45 2HB ALA 45 -5.382 12.987 1.098 345 3HB ALA 45 3HB ALA 45 -4.166 12.780 -0.163 346 H THR 46 H THR 46 -5.662 9.089 0.920 347 HA THR 46 HA THR 46 -7.771 9.890 2.856 348 HB THR 46 HB THR 46 -7.678 7.446 1.081 349 HG1 THR 46 HG1 THR 46 -8.622 10.006 0.337 350 1HG2 THR 46 1HG2 THR 46 -9.696 7.211 2.069 351 2HG2 THR 46 2HG2 THR 46 -10.211 8.567 1.065 352 3HG2 THR 46 3HG2 THR 46 -9.657 8.852 2.715 353 H CYS 47 H CYS 47 -5.778 6.988 2.139 354 HA CYS 47 HA CYS 47 -5.137 5.205 3.559 355 1HB CYS 47 2HB CYS 47 -3.881 7.233 4.380 356 2HB CYS 47 1HB CYS 47 -5.161 7.479 5.570 357 HA PRO 48 HA PRO 48 -9.432 5.001 5.353 358 1HB PRO 48 2HB PRO 48 -10.228 2.800 3.934 359 2HB PRO 48 1HB PRO 48 -10.417 4.459 3.332 360 1HG PRO 48 2HG PRO 48 -8.364 2.420 2.646 361 2HG PRO 48 1HG PRO 48 -9.166 3.609 1.609 362 1HD PRO 48 2HD PRO 48 -6.628 3.908 2.581 363 2HD PRO 48 1HD PRO 48 -7.688 5.267 2.145 364 H LYS 49 H LYS 49 -10.424 2.724 6.208 365 HA LYS 49 HA LYS 49 -8.149 1.104 7.305 366 1HB LYS 49 2HB LYS 49 -10.551 2.373 8.627 367 2HB LYS 49 1HB LYS 49 -9.688 1.036 9.385 368 1HG LYS 49 2HG LYS 49 -7.862 3.084 8.401 369 2HG LYS 49 1HG LYS 49 -9.011 3.735 9.570 370 1HD LYS 49 2HD LYS 49 -8.049 1.147 10.441 371 2HD LYS 49 1HD LYS 49 -6.694 2.233 10.132 372 1HE LYS 49 2HE LYS 49 -9.072 3.240 11.685 373 2HE LYS 49 1HE LYS 49 -7.816 2.287 12.501 374 1HZ LYS 49 1HZ LYS 49 -7.591 4.890 11.159 375 2HZ LYS 49 2HZ LYS 49 -6.250 3.848 11.142 376 3HZ LYS 49 3HZ LYS 49 -6.902 4.371 12.620 377 H GLY 50 H GLY 50 -9.458 -0.856 8.588 378 1HA GLY 50 2HA GLY 50 -11.750 -1.854 7.071 379 2HA GLY 50 1HA GLY 50 -10.255 -2.735 6.753 380 H SER 51 H SER 51 -11.771 -4.471 7.772 381 HA SER 51 HA SER 51 -10.784 -5.198 10.334 382 1HB SER 51 2HB SER 51 -13.245 -4.696 11.366 383 2HB SER 51 1HB SER 51 -11.901 -3.565 11.497 384 HG SER 51 HG SER 51 -14.205 -3.151 10.346 385 H VAL 52 H VAL 52 -14.207 -5.251 9.340 386 HA VAL 52 HA VAL 52 -14.599 -8.023 9.755 387 HB VAL 52 HB VAL 52 -15.908 -6.013 7.900 388 1HG1 VAL 52 1HG1 VAL 52 -17.324 -7.608 7.163 389 2HG1 VAL 52 2HG1 VAL 52 -17.568 -8.233 8.794 390 3HG1 VAL 52 3HG1 VAL 52 -16.200 -8.793 7.831 391 1HG2 VAL 52 1HG2 VAL 52 -16.004 -5.473 10.304 392 2HG2 VAL 52 2HG2 VAL 52 -16.646 -7.081 10.644 393 3HG2 VAL 52 3HG2 VAL 52 -17.600 -5.930 9.708 394 H TYR 53 H TYR 53 -14.364 -6.443 6.540 395 HA TYR 53 HA TYR 53 -14.084 -8.710 4.942 396 1HB TYR 53 2HB TYR 53 -13.218 -5.868 4.875 397 2HB TYR 53 1HB TYR 53 -12.419 -6.940 3.725 398 HD1 TYR 53 HD1 TYR 53 -15.858 -7.458 4.987 399 HD2 TYR 53 HD2 TYR 53 -13.442 -6.061 1.722 400 HE1 TYR 53 HE1 TYR 53 -17.864 -7.392 3.531 401 HE2 TYR 53 HE2 TYR 53 -15.447 -5.996 0.265 402 HH TYR 53 HH TYR 53 -17.843 -5.868 0.445 403 H GLY 54 H GLY 54 -11.337 -6.806 6.251 404 1HA GLY 54 2HA GLY 54 -9.474 -7.969 7.392 405 2HA GLY 54 1HA GLY 54 -9.757 -9.343 6.319 406 H LEU 55 H LEU 55 -7.994 -6.454 6.728 407 HA LEU 55 HA LEU 55 -6.613 -6.905 4.171 408 1HB LEU 55 2HB LEU 55 -7.052 -4.433 3.561 409 2HB LEU 55 1HB LEU 55 -8.372 -5.570 3.323 410 HG LEU 55 HG LEU 55 -8.963 -3.348 4.446 411 1HD1 LEU 55 1HD1 LEU 55 -10.758 -4.381 5.362 412 2HD1 LEU 55 2HD1 LEU 55 -9.765 -5.417 6.385 413 3HD1 LEU 55 3HD1 LEU 55 -10.037 -5.846 4.697 414 1HD2 LEU 55 1HD2 LEU 55 -7.807 -4.646 6.916 415 2HD2 LEU 55 2HD2 LEU 55 -8.401 -3.000 6.724 416 3HD2 LEU 55 3HD2 LEU 55 -6.889 -3.486 5.960 417 H TYR 56 H TYR 56 -4.935 -4.940 3.928 418 HA TYR 56 HA TYR 56 -3.895 -4.193 6.631 419 1HB TYR 56 2HB TYR 56 -2.945 -6.273 5.093 420 2HB TYR 56 1HB TYR 56 -1.894 -4.944 4.600 421 HD1 TYR 56 HD1 TYR 56 -1.201 -3.370 6.727 422 HD2 TYR 56 HD2 TYR 56 -2.174 -7.550 6.873 423 HE1 TYR 56 HE1 TYR 56 0.078 -3.593 8.840 424 HE2 TYR 56 HE2 TYR 56 -0.895 -7.774 8.986 425 HH TYR 56 HH TYR 56 1.017 -5.100 10.267 426 H VAL 57 H VAL 57 -4.361 -1.970 6.318 427 HA VAL 57 HA VAL 57 -3.214 -0.675 3.878 428 HB VAL 57 HB VAL 57 -5.600 -0.353 4.260 429 1HG1 VAL 57 1HG1 VAL 57 -6.107 -0.671 6.480 430 2HG1 VAL 57 2HG1 VAL 57 -6.020 1.091 6.488 431 3HG1 VAL 57 3HG1 VAL 57 -4.642 0.138 7.038 432 1HG2 VAL 57 1HG2 VAL 57 -4.563 1.596 3.347 433 2HG2 VAL 57 2HG2 VAL 57 -3.847 2.029 4.899 434 3HG2 VAL 57 3HG2 VAL 57 -5.588 2.181 4.658 435 H LEU 58 H LEU 58 -1.782 1.100 4.131 436 HA LEU 58 HA LEU 58 -1.075 2.057 6.831 437 1HB LEU 58 2HB LEU 58 0.105 -0.212 6.105 438 2HB LEU 58 1HB LEU 58 1.148 0.883 5.197 439 HG LEU 58 HG LEU 58 0.563 1.586 8.037 440 1HD1 LEU 58 1HD1 LEU 58 2.831 0.074 8.297 441 2HD1 LEU 58 2HD1 LEU 58 1.898 -0.895 7.157 442 3HD1 LEU 58 3HD1 LEU 58 1.213 -0.483 8.728 443 1HD2 LEU 58 1HD2 LEU 58 3.272 1.580 6.782 444 2HD2 LEU 58 2HD2 LEU 58 2.534 2.772 7.853 445 3HD2 LEU 58 3HD2 LEU 58 2.089 2.724 6.147 446 H CYS 59 H CYS 59 -0.632 4.223 6.592 447 HA CYS 59 HA CYS 59 0.450 5.144 3.950 448 1HB CYS 59 2HB CYS 59 -0.933 7.231 4.494 449 2HB CYS 59 1HB CYS 59 -1.849 5.780 4.093 450 H CYS 60 H CYS 60 2.004 6.800 4.029 451 HA CYS 60 HA CYS 60 2.778 7.960 6.640 452 1HB CYS 60 2HB CYS 60 3.895 5.732 6.449 453 2HB CYS 60 1HB CYS 60 4.643 6.265 4.945 454 H THR 61 H THR 61 4.434 9.684 6.316 455 HA THR 61 HA THR 61 4.640 10.643 3.512 456 HB THR 61 HB THR 61 2.776 11.769 4.646 457 HG1 THR 61 HG1 THR 61 3.422 13.756 4.119 458 1HG2 THR 61 1HG2 THR 61 3.847 13.336 6.617 459 2HG2 THR 61 2HG2 THR 61 4.759 11.841 6.827 460 3HG2 THR 61 3HG2 THR 61 2.997 11.818 6.906 461 H THR 62 H THR 62 6.863 9.600 3.984 462 HA THR 62 HA THR 62 8.743 11.720 4.743 463 HB THR 62 HB THR 62 8.211 9.269 6.432 464 HG1 THR 62 HG1 THR 62 8.337 12.060 6.821 465 1HG2 THR 62 1HG2 THR 62 10.769 10.461 5.791 466 2HG2 THR 62 2HG2 THR 62 10.420 9.050 6.790 467 3HG2 THR 62 3HG2 THR 62 10.408 10.661 7.507 468 H ASP 63 H ASP 63 9.061 8.175 4.908 469 HA ASP 63 HA ASP 63 10.238 7.916 2.262 470 1HB ASP 63 2HB ASP 63 12.037 9.140 3.333 471 2HB ASP 63 1HB ASP 63 11.991 8.069 4.734 472 H ASP 64 H ASP 64 10.299 5.730 1.702 473 HA ASP 64 HA ASP 64 10.009 3.391 1.962 474 1HB ASP 64 2HB ASP 64 11.620 4.407 4.135 475 2HB ASP 64 1HB ASP 64 10.647 3.047 4.699 476 H CYS 65 H CYS 65 9.142 4.458 5.309 477 HA CYS 65 HA CYS 65 6.968 2.819 5.759 478 1HB CYS 65 2HB CYS 65 6.179 4.637 7.240 479 2HB CYS 65 1HB CYS 65 7.934 4.486 7.323 480 H ASN 66 HN ASN 66 7.143 5.563 3.589 481 HA ASN 66 HA ASN 66 4.546 6.340 3.097 482 1HB ASN 66 2HB ASN 66 6.973 5.805 1.433 483 2HB ASN 66 1HB ASN 66 5.472 6.180 0.591 484 1HD2 ASN 66 1HD2 ASN 66 8.169 7.610 2.043 485 2HD2 ASN 66 2HD2 ASN 66 7.540 9.170 2.269 Start of MODEL 18 1 1H MET 1 1H MET 1 13.985 11.526 -0.591 2 2H MET 1 2H MET 1 13.676 10.590 -1.975 3 3H MET 1 3H MET 1 14.099 9.836 -0.512 4 HA MET 1 HA MET 1 12.018 9.966 0.332 5 1HB MET 1 2HB MET 1 12.449 12.670 -0.727 6 2HB MET 1 1HB MET 1 10.755 12.177 -0.770 7 1HG MET 1 2HG MET 1 11.206 11.353 1.676 8 2HG MET 1 1HG MET 1 12.580 12.459 1.603 9 1HE MET 1 1HE MET 1 10.063 11.996 3.199 10 2HE MET 1 2HE MET 1 8.568 12.632 2.517 11 3HE MET 1 3HE MET 1 9.480 13.596 3.676 12 H LYS 2 H LYS 2 11.230 8.183 -0.820 13 HA LYS 2 HA LYS 2 9.524 8.775 -3.162 14 1HB LYS 2 2HB LYS 2 12.170 7.430 -3.213 15 2HB LYS 2 1HB LYS 2 10.896 6.634 -4.136 16 1HG LYS 2 2HG LYS 2 10.816 8.291 -5.693 17 2HG LYS 2 1HG LYS 2 11.012 9.562 -4.487 18 1HD LYS 2 2HD LYS 2 13.467 8.424 -4.359 19 2HD LYS 2 1HD LYS 2 13.072 8.104 -6.048 20 1HE LYS 2 2HE LYS 2 12.371 10.618 -6.129 21 2HE LYS 2 1HE LYS 2 13.348 10.765 -4.654 22 1HZ LYS 2 1HZ LYS 2 15.250 10.179 -5.733 23 2HZ LYS 2 2HZ LYS 2 14.443 10.917 -7.033 24 3HZ LYS 2 3HZ LYS 2 14.451 9.225 -6.884 25 H CYS 3 H CYS 3 8.850 6.281 -3.958 26 HA CYS 3 HA CYS 3 8.299 4.648 -1.522 27 1HB CYS 3 2HB CYS 3 6.500 6.403 -2.077 28 2HB CYS 3 1HB CYS 3 6.153 5.428 -3.504 29 H LYS 4 H LYS 4 9.036 2.645 -2.093 30 HA LYS 4 HA LYS 4 9.247 1.799 -4.885 31 1HB LYS 4 2HB LYS 4 10.860 1.272 -3.030 32 2HB LYS 4 1HB LYS 4 9.615 0.260 -2.295 33 1HG LYS 4 2HG LYS 4 9.508 -1.013 -4.490 34 2HG LYS 4 1HG LYS 4 10.953 -0.128 -4.983 35 1HD LYS 4 2HD LYS 4 11.620 -1.022 -2.452 36 2HD LYS 4 1HD LYS 4 10.691 -2.369 -3.112 37 1HE LYS 4 2HE LYS 4 12.885 -1.038 -4.717 38 2HE LYS 4 1HE LYS 4 13.219 -2.387 -3.612 39 1HZ LYS 4 1HZ LYS 4 10.993 -2.524 -5.547 40 2HZ LYS 4 2HZ LYS 4 11.802 -3.797 -4.765 41 3HZ LYS 4 3HZ LYS 4 12.568 -2.943 -6.018 42 H ILE 5 H ILE 5 7.676 0.689 -5.995 43 HA ILE 5 HA ILE 5 5.427 -0.509 -4.408 44 HB ILE 5 HB ILE 5 5.438 0.535 -7.255 45 1HG1 ILE 5 2HG1 ILE 5 3.998 2.073 -5.207 46 2HG1 ILE 5 1HG1 ILE 5 5.746 2.058 -4.964 47 1HG2 ILE 5 1HG2 ILE 5 3.148 0.183 -7.256 48 2HG2 ILE 5 2HG2 ILE 5 3.023 0.308 -5.502 49 3HG2 ILE 5 3HG2 ILE 5 3.668 -1.160 -6.237 50 1HD1 ILE 5 1HD1 ILE 5 4.763 2.511 -7.743 51 2HD1 ILE 5 2HD1 ILE 5 6.169 3.191 -6.922 52 3HD1 ILE 5 3HD1 ILE 5 4.558 3.830 -6.590 53 H CYS 6 H CYS 6 5.098 -2.683 -4.676 54 HA CYS 6 HA CYS 6 5.624 -4.117 -7.129 55 1HB CYS 6 2HB CYS 6 7.591 -5.406 -6.190 56 2HB CYS 6 1HB CYS 6 7.934 -3.707 -6.515 57 H ASN 7 H ASN 7 3.482 -3.957 -5.191 58 HA ASN 7 HA ASN 7 2.130 -5.335 -3.801 59 1HB ASN 7 2HB ASN 7 3.344 -7.243 -5.826 60 2HB ASN 7 1HB ASN 7 1.903 -7.586 -4.869 61 1HD2 ASN 7 1HD2 ASN 7 2.809 -6.513 -7.883 62 2HD2 ASN 7 2HD2 ASN 7 1.450 -5.571 -8.267 63 H PHE 8 H PHE 8 3.310 -5.254 -1.787 64 HA PHE 8 HA PHE 8 5.643 -6.537 -1.019 65 1HB PHE 8 2HB PHE 8 3.223 -5.512 0.184 66 2HB PHE 8 1HB PHE 8 3.764 -6.945 1.059 67 HD1 PHE 8 HD1 PHE 8 4.726 -3.549 -0.068 68 HD2 PHE 8 HD2 PHE 8 5.829 -6.955 2.307 69 HE1 PHE 8 HE1 PHE 8 6.520 -2.218 1.009 70 HE2 PHE 8 HE2 PHE 8 7.623 -5.624 3.383 71 HZ PHE 8 HZ PHE 8 7.968 -3.255 2.734 72 H ASP 9 H ASP 9 5.908 -8.622 0.221 73 HA ASP 9 HA ASP 9 5.594 -10.957 0.498 74 1HB ASP 9 2HB ASP 9 3.070 -9.815 0.403 75 2HB ASP 9 1HB ASP 9 2.993 -11.039 -0.865 76 H THR 10 H THR 10 5.877 -9.318 -2.346 77 HA THR 10 HA THR 10 6.975 -11.469 -3.844 78 HB THR 10 HB THR 10 4.784 -12.416 -3.913 79 HG1 THR 10 HG1 THR 10 5.960 -11.822 -6.018 80 1HG2 THR 10 1HG2 THR 10 3.350 -10.740 -3.136 81 2HG2 THR 10 2HG2 THR 10 2.880 -10.880 -4.830 82 3HG2 THR 10 3HG2 THR 10 3.932 -9.563 -4.312 83 H CYS 11 H CYS 11 8.230 -9.286 -3.846 84 HA CYS 11 HA CYS 11 7.201 -7.274 -5.750 85 1HB CYS 11 2HB CYS 11 9.576 -7.578 -3.916 86 2HB CYS 11 1HB CYS 11 9.504 -6.265 -5.092 87 H ARG 12 H ARG 12 7.433 -7.808 -7.888 88 HA ARG 12 HA ARG 12 10.045 -9.009 -8.753 89 1HB ARG 12 2HB ARG 12 7.173 -9.431 -9.568 90 2HB ARG 12 1HB ARG 12 8.477 -9.814 -10.693 91 1HG ARG 12 2HG ARG 12 8.962 -10.841 -7.990 92 2HG ARG 12 1HG ARG 12 7.508 -11.510 -8.731 93 1HD ARG 12 2HD ARG 12 8.798 -12.873 -9.996 94 2HD ARG 12 1HD ARG 12 9.571 -11.450 -10.724 95 HE ARG 12 HE ARG 12 10.959 -11.462 -8.491 96 1HH1 ARG 12 1HH2 ARG 12 9.739 -14.120 -7.680 97 2HH1 ARG 12 2HH2 ARG 12 10.956 -15.232 -8.209 98 1HH2 ARG 12 2HH1 ARG 12 12.543 -12.929 -10.260 99 2HH2 ARG 12 1HH1 ARG 12 12.545 -14.558 -9.669 100 H ALA 13 H ALA 13 7.903 -6.353 -8.972 101 HA ALA 13 HA ALA 13 8.936 -5.469 -11.618 102 1HB ALA 13 1HB ALA 13 6.654 -5.075 -11.504 103 2HB ALA 13 2HB ALA 13 7.242 -3.541 -10.863 104 3HB ALA 13 3HB ALA 13 6.687 -4.800 -9.761 105 H GLY 14 H GLY 14 8.496 -3.982 -8.376 106 1HA GLY 14 2HA GLY 14 10.042 -2.673 -7.146 107 2HA GLY 14 1HA GLY 14 11.229 -2.936 -8.424 108 H GLU 15 H GLU 15 7.946 -1.605 -8.752 109 HA GLU 15 HA GLU 15 9.037 0.681 -10.261 110 1HB GLU 15 2HB GLU 15 6.633 -0.839 -10.088 111 2HB GLU 15 1HB GLU 15 6.220 0.831 -9.696 112 1HG GLU 15 2HG GLU 15 6.224 1.235 -11.916 113 2HG GLU 15 1HG GLU 15 7.977 1.054 -11.855 114 H LEU 16 H LEU 16 10.055 2.089 -8.773 115 HA LEU 16 HA LEU 16 8.532 2.914 -6.351 116 1HB LEU 16 2HB LEU 16 10.820 2.292 -5.986 117 2HB LEU 16 1HB LEU 16 11.370 3.269 -7.347 118 HG LEU 16 HG LEU 16 9.872 4.669 -5.181 119 1HD1 LEU 16 1HD1 LEU 16 11.272 3.944 -3.563 120 2HD1 LEU 16 2HD1 LEU 16 12.545 4.834 -4.397 121 3HD1 LEU 16 3HD1 LEU 16 12.304 3.119 -4.732 122 1HD2 LEU 16 1HD2 LEU 16 12.372 5.828 -6.063 123 2HD2 LEU 16 2HD2 LEU 16 10.733 6.447 -6.268 124 3HD2 LEU 16 3HD2 LEU 16 11.410 5.335 -7.457 125 H LYS 17 H LYS 17 8.253 5.228 -5.919 126 HA LYS 17 HA LYS 17 8.700 7.140 -8.118 127 1HB LYS 17 2HB LYS 17 6.441 5.620 -8.197 128 2HB LYS 17 1HB LYS 17 5.877 6.968 -7.209 129 1HG LYS 17 2HG LYS 17 5.458 7.477 -9.555 130 2HG LYS 17 1HG LYS 17 6.728 8.543 -8.955 131 1HD LYS 17 2HD LYS 17 7.716 5.990 -10.044 132 2HD LYS 17 1HD LYS 17 6.926 7.027 -11.234 133 1HE LYS 17 2HE LYS 17 8.516 8.789 -9.744 134 2HE LYS 17 1HE LYS 17 9.534 7.353 -9.979 135 1HZ LYS 17 1HZ LYS 17 8.174 8.998 -12.025 136 2HZ LYS 17 2HZ LYS 17 8.635 7.395 -12.353 137 3HZ LYS 17 3HZ LYS 17 9.809 8.553 -11.944 138 H VAL 18 H VAL 18 6.409 8.751 -6.888 139 HA VAL 18 HA VAL 18 7.526 9.303 -4.180 140 HB VAL 18 HB VAL 18 7.109 11.488 -6.225 141 1HG1 VAL 18 1HG1 VAL 18 7.371 12.534 -4.188 142 2HG1 VAL 18 2HG1 VAL 18 9.071 12.337 -4.610 143 3HG1 VAL 18 3HG1 VAL 18 8.300 11.200 -3.505 144 1HG2 VAL 18 1HG2 VAL 18 9.576 9.800 -5.718 145 2HG2 VAL 18 2HG2 VAL 18 9.631 11.370 -6.519 146 3HG2 VAL 18 3HG2 VAL 18 8.737 10.037 -7.252 147 H CYS 19 H CYS 19 6.070 10.734 -2.919 148 HA CYS 19 HA CYS 19 3.397 11.319 -4.002 149 1HB CYS 19 2HB CYS 19 3.455 8.856 -3.456 150 2HB CYS 19 1HB CYS 19 3.756 9.293 -1.774 151 H ALA 20 H ALA 20 5.519 11.089 -1.155 152 HA ALA 20 HA ALA 20 3.995 12.745 0.608 153 1HB ALA 20 1HB ALA 20 6.544 13.140 1.396 154 2HB ALA 20 2HB ALA 20 6.798 11.777 0.305 155 3HB ALA 20 3HB ALA 20 5.699 11.617 1.675 156 H SER 21 H SER 21 3.331 14.372 -1.156 157 HA SER 21 HA SER 21 5.407 16.321 -1.942 158 1HB SER 21 2HB SER 21 2.924 15.380 -2.907 159 2HB SER 21 1HB SER 21 2.661 17.070 -2.486 160 HG SER 21 HG SER 21 3.497 17.201 -4.471 161 H GLY 22 H GLY 22 4.241 15.855 0.944 162 1HA GLY 22 2HA GLY 22 4.517 17.644 2.629 163 2HA GLY 22 1HA GLY 22 3.781 18.760 1.477 164 H GLU 23 H GLU 23 1.922 16.268 0.903 165 HA GLU 23 HA GLU 23 0.257 16.254 3.341 166 1HB GLU 23 2HB GLU 23 -0.034 18.224 1.341 167 2HB GLU 23 1HB GLU 23 -1.363 17.093 1.089 168 1HG GLU 23 2HG GLU 23 -1.055 17.546 3.908 169 2HG GLU 23 1HG GLU 23 -1.151 19.103 3.086 170 H LYS 24 H LYS 24 1.632 14.422 1.238 171 HA LYS 24 HA LYS 24 -0.744 12.642 0.835 172 1HB LYS 24 2HB LYS 24 1.220 13.782 -1.103 173 2HB LYS 24 1HB LYS 24 0.711 12.113 -1.365 174 1HG LYS 24 2HG LYS 24 -1.262 12.807 -2.192 175 2HG LYS 24 1HG LYS 24 -1.592 13.707 -0.711 176 1HD LYS 24 2HD LYS 24 -1.365 15.596 -1.918 177 2HD LYS 24 1HD LYS 24 0.354 15.221 -2.044 178 1HE LYS 24 2HE LYS 24 -1.340 13.714 -3.939 179 2HE LYS 24 1HE LYS 24 -1.312 15.468 -4.210 180 1HZ LYS 24 1HZ LYS 24 0.565 14.356 -5.298 181 2HZ LYS 24 2HZ LYS 24 1.087 13.761 -3.794 182 3HZ LYS 24 3HZ LYS 24 1.089 15.433 -4.098 183 H TYR 25 H TYR 25 -0.057 10.338 0.499 184 HA TYR 25 HA TYR 25 2.701 9.619 1.278 185 1HB TYR 25 2HB TYR 25 1.636 8.234 3.214 186 2HB TYR 25 1HB TYR 25 1.860 9.964 3.457 187 HD1 TYR 25 HD1 TYR 25 -0.669 7.532 2.124 188 HD2 TYR 25 HD2 TYR 25 0.043 11.255 4.145 189 HE1 TYR 25 HE1 TYR 25 -3.107 7.798 2.492 190 HE2 TYR 25 HE2 TYR 25 -2.395 11.521 4.513 191 HH TYR 25 HH TYR 25 -4.437 9.709 4.669 192 H CYS 26 H CYS 26 2.758 7.073 1.493 193 HA CYS 26 HA CYS 26 1.371 5.997 -0.883 194 1HB CYS 26 2HB CYS 26 3.755 5.495 0.708 195 2HB CYS 26 1HB CYS 26 2.881 3.999 0.385 196 H PHE 27 H PHE 27 -0.395 4.655 -0.774 197 HA PHE 27 HA PHE 27 -1.337 3.822 1.944 198 1HB PHE 27 2HB PHE 27 -3.539 3.906 0.965 199 2HB PHE 27 1HB PHE 27 -2.693 5.363 0.442 200 HD1 PHE 27 HD1 PHE 27 -4.210 2.223 -0.603 201 HD2 PHE 27 HD2 PHE 27 -1.696 5.473 -1.856 202 HE1 PHE 27 HE1 PHE 27 -4.551 1.574 -2.973 203 HE2 PHE 27 HE2 PHE 27 -2.037 4.824 -4.225 204 HZ PHE 27 HZ PHE 27 -3.463 2.874 -4.783 205 H LYS 28 H LYS 28 -1.211 1.663 2.397 206 HA LYS 28 HA LYS 28 -0.830 -0.248 0.125 207 1HB LYS 28 2HB LYS 28 0.844 0.102 2.066 208 2HB LYS 28 1HB LYS 28 -0.341 -0.736 3.067 209 1HG LYS 28 2HG LYS 28 0.080 -2.163 0.580 210 2HG LYS 28 1HG LYS 28 1.608 -1.921 1.425 211 1HD LYS 28 2HD LYS 28 -0.758 -2.807 3.024 212 2HD LYS 28 1HD LYS 28 0.045 -3.995 1.998 213 1HE LYS 28 2HE LYS 28 2.232 -3.360 3.076 214 2HE LYS 28 1HE LYS 28 1.316 -2.344 4.207 215 1HZ LYS 28 1HZ LYS 28 0.553 -5.155 3.723 216 2HZ LYS 28 2HZ LYS 28 0.167 -4.163 5.046 217 3HZ LYS 28 3HZ LYS 28 1.744 -4.769 4.866 218 H GLU 29 H GLU 29 -2.740 -1.238 -0.423 219 HA GLU 29 HA GLU 29 -4.710 -1.834 1.755 220 1HB GLU 29 2HB GLU 29 -5.331 -0.342 -0.181 221 2HB GLU 29 1HB GLU 29 -5.079 -1.717 -1.255 222 1HG GLU 29 2HG GLU 29 -6.923 -2.876 -0.430 223 2HG GLU 29 1HG GLU 29 -6.888 -2.032 1.119 224 H SER 30 H SER 30 -4.692 -3.957 2.384 225 HA SER 30 HA SER 30 -3.859 -6.022 0.376 226 1HB SER 30 2HB SER 30 -2.551 -5.501 2.564 227 2HB SER 30 1HB SER 30 -3.879 -6.325 3.378 228 HG SER 30 HG SER 30 -3.262 -8.177 2.531 229 H TRP 31 H TRP 31 -5.576 -7.199 -0.357 230 HA TRP 31 HA TRP 31 -8.128 -7.257 1.099 231 1HB TRP 31 2HB TRP 31 -7.236 -7.437 -1.539 232 2HB TRP 31 1HB TRP 31 -7.785 -9.072 -1.172 233 HD1 TRP 31 HD1 TRP 31 -10.291 -8.964 0.304 234 HE1 TRP 31 HE1 TRP 31 -12.395 -7.674 -0.441 235 HE3 TRP 31 HE3 TRP 31 -8.173 -5.602 -2.904 236 HZ2 TRP 31 HZ2 TRP 31 -13.088 -5.502 -2.169 237 HZ3 TRP 31 HZ3 TRP 31 -9.576 -3.935 -4.084 238 HH2 TRP 31 HH2 TRP 31 -12.029 -3.881 -3.721 239 H ARG 32 H ARG 32 -8.619 -8.823 2.599 240 HA ARG 32 HA ARG 32 -7.076 -11.396 2.491 241 1HB ARG 32 2HB ARG 32 -7.628 -9.410 4.595 242 2HB ARG 32 1HB ARG 32 -7.919 -11.076 5.096 243 1HG ARG 32 2HG ARG 32 -5.427 -10.629 3.557 244 2HG ARG 32 1HG ARG 32 -5.468 -9.901 5.163 245 1HD ARG 32 2HD ARG 32 -6.346 -12.229 5.954 246 2HD ARG 32 1HD ARG 32 -5.685 -12.816 4.414 247 HE ARG 32 HE ARG 32 -4.112 -11.920 6.683 248 1HH1 ARG 32 1HH2 ARG 32 -3.367 -9.973 4.539 249 2HH1 ARG 32 2HH2 ARG 32 -2.077 -10.797 3.728 250 1HH2 ARG 32 2HH1 ARG 32 -2.849 -13.894 5.083 251 2HH2 ARG 32 1HH1 ARG 32 -1.784 -13.016 4.037 252 H GLU 33 H GLU 33 -8.430 -13.042 1.923 253 HA GLU 33 HA GLU 33 -11.033 -13.340 3.277 254 1HB GLU 33 2HB GLU 33 -11.136 -11.814 1.139 255 2HB GLU 33 1HB GLU 33 -11.000 -13.342 0.268 256 1HG GLU 33 2HG GLU 33 -13.037 -14.148 1.097 257 2HG GLU 33 1HG GLU 33 -13.020 -13.049 2.476 258 H ALA 34 H ALA 34 -12.063 -15.479 2.544 259 HA ALA 34 HA ALA 34 -10.085 -17.588 2.594 260 1HB ALA 34 1HB ALA 34 -12.460 -17.546 3.531 261 2HB ALA 34 2HB ALA 34 -12.029 -19.005 2.639 262 3HB ALA 34 3HB ALA 34 -13.024 -17.765 1.875 263 H ARG 35 H ARG 35 -11.153 -15.639 0.071 264 HA ARG 35 HA ARG 35 -11.015 -17.739 -2.018 265 1HB ARG 35 2HB ARG 35 -11.533 -14.748 -2.020 266 2HB ARG 35 1HB ARG 35 -11.591 -15.758 -3.466 267 1HG ARG 35 2HG ARG 35 -13.380 -17.108 -2.502 268 2HG ARG 35 1HG ARG 35 -13.279 -16.209 -0.987 269 1HD ARG 35 2HD ARG 35 -13.652 -14.130 -2.654 270 2HD ARG 35 1HD ARG 35 -14.480 -15.387 -3.592 271 HE ARG 35 HE ARG 35 -15.205 -14.549 -0.829 272 1HH1 ARG 35 2HH1 ARG 35 -16.499 -15.121 -3.795 273 2HH1 ARG 35 1HH1 ARG 35 -17.732 -16.222 -3.278 274 1HH2 ARG 35 1HH2 ARG 35 -16.451 -16.569 -0.074 275 2HH2 ARG 35 2HH2 ARG 35 -17.704 -17.042 -1.171 276 H GLY 36 H GLY 36 -8.815 -15.892 -0.310 277 1HA GLY 36 2HA GLY 36 -6.432 -16.432 -1.157 278 2HA GLY 36 1HA GLY 36 -6.965 -15.647 -2.645 279 H THR 37 H THR 37 -4.780 -14.749 -0.965 280 HA THR 37 HA THR 37 -5.883 -12.244 0.238 281 HB THR 37 HB THR 37 -3.458 -12.212 1.155 282 HG1 THR 37 HG1 THR 37 -3.090 -14.025 -0.538 283 1HG2 THR 37 1HG2 THR 37 -5.820 -13.522 1.985 284 2HG2 THR 37 2HG2 THR 37 -4.465 -13.017 2.994 285 3HG2 THR 37 3HG2 THR 37 -4.496 -14.641 2.308 286 H ARG 38 H ARG 38 -4.829 -10.211 -0.314 287 HA ARG 38 HA ARG 38 -3.027 -10.220 -2.681 288 1HB ARG 38 2HB ARG 38 -5.808 -9.956 -2.851 289 2HB ARG 38 1HB ARG 38 -5.209 -8.300 -2.951 290 1HG ARG 38 2HG ARG 38 -3.572 -9.098 -4.707 291 2HG ARG 38 1HG ARG 38 -4.426 -10.642 -4.703 292 1HD ARG 38 2HD ARG 38 -6.239 -9.786 -5.819 293 2HD ARG 38 1HD ARG 38 -6.138 -8.224 -4.981 294 HE ARG 38 HE ARG 38 -3.964 -7.958 -6.444 295 1HH1 ARG 38 1HH2 ARG 38 -6.996 -7.669 -7.462 296 2HH1 ARG 38 2HH2 ARG 38 -6.765 -8.220 -9.088 297 1HH2 ARG 38 2HH1 ARG 38 -3.597 -9.495 -8.491 298 2HH2 ARG 38 1HH1 ARG 38 -4.844 -9.253 -9.670 299 H ILE 39 H ILE 39 -1.834 -8.238 -2.863 300 HA ILE 39 HA ILE 39 -2.320 -6.181 -0.748 301 HB ILE 39 HB ILE 39 -0.629 -7.991 -0.112 302 1HG1 ILE 39 2HG1 ILE 39 0.487 -5.180 -0.343 303 2HG1 ILE 39 1HG1 ILE 39 -0.712 -5.662 0.858 304 1HG2 ILE 39 1HG2 ILE 39 1.233 -6.553 -1.990 305 2HG2 ILE 39 2HG2 ILE 39 0.285 -7.925 -2.562 306 3HG2 ILE 39 3HG2 ILE 39 1.425 -8.134 -1.234 307 1HD1 ILE 39 1HD1 ILE 39 0.784 -7.085 1.971 308 2HD1 ILE 39 2HD1 ILE 39 1.814 -5.728 1.517 309 3HD1 ILE 39 3HD1 ILE 39 1.849 -7.216 0.572 310 H GLU 40 H GLU 40 -2.350 -4.200 -1.732 311 HA GLU 40 HA GLU 40 -0.630 -3.791 -4.155 312 1HB GLU 40 2HB GLU 40 -3.527 -3.693 -3.779 313 2HB GLU 40 1HB GLU 40 -2.897 -2.187 -4.448 314 1HG GLU 40 2HG GLU 40 -1.742 -4.619 -5.649 315 2HG GLU 40 1HG GLU 40 -3.471 -4.418 -5.936 316 H ARG 41 H ARG 41 -0.002 -1.526 -4.472 317 HA ARG 41 HA ARG 41 -0.369 0.221 -2.065 318 1HB ARG 41 2HB ARG 41 1.949 -1.190 -2.877 319 2HB ARG 41 1HB ARG 41 2.243 0.504 -3.273 320 1HG ARG 41 2HG ARG 41 1.026 -0.080 -0.615 321 2HG ARG 41 1HG ARG 41 2.730 -0.480 -0.828 322 1HD ARG 41 2HD ARG 41 2.782 1.972 -1.914 323 2HD ARG 41 1HD ARG 41 1.407 2.198 -0.814 324 HE ARG 41 HE ARG 41 2.909 2.013 0.997 325 1HH1 ARG 41 1HH2 ARG 41 4.165 0.495 -1.835 326 2HH1 ARG 41 2HH2 ARG 41 5.744 0.253 -1.164 327 1HH2 ARG 41 2HH1 ARG 41 4.989 1.782 1.854 328 2HH2 ARG 41 1HH1 ARG 41 6.210 0.980 0.922 329 H GLY 42 H GLY 42 1.145 2.374 -2.960 330 1HA GLY 42 2HA GLY 42 1.262 3.417 -5.398 331 2HA GLY 42 1HA GLY 42 -0.493 3.297 -5.257 332 H CYS 43 H CYS 43 0.383 5.800 -5.598 333 HA CYS 43 HA CYS 43 0.890 7.090 -2.987 334 1HB CYS 43 2HB CYS 43 2.097 7.919 -4.881 335 2HB CYS 43 1HB CYS 43 0.635 7.996 -5.864 336 H ALA 44 H ALA 44 -0.688 8.165 -1.813 337 HA ALA 44 HA ALA 44 -3.229 8.968 -3.059 338 1HB ALA 44 1HB ALA 44 -3.628 6.612 -2.712 339 2HB ALA 44 2HB ALA 44 -4.508 7.477 -1.451 340 3HB ALA 44 3HB ALA 44 -2.975 6.689 -1.076 341 H ALA 45 H ALA 45 -4.723 9.867 -1.249 342 HA ALA 45 HA ALA 45 -3.078 11.035 0.971 343 1HB ALA 45 1HB ALA 45 -3.409 12.625 -0.885 344 2HB ALA 45 2HB ALA 45 -4.316 13.146 0.536 345 3HB ALA 45 3HB ALA 45 -5.153 12.363 -0.806 346 H THR 46 H THR 46 -5.710 9.145 0.170 347 HA THR 46 HA THR 46 -7.286 9.995 2.571 348 HB THR 46 HB THR 46 -8.979 8.424 1.288 349 HG1 THR 46 HG1 THR 46 -8.467 8.016 -0.739 350 1HG2 THR 46 1HG2 THR 46 -9.943 10.346 0.506 351 2HG2 THR 46 2HG2 THR 46 -8.458 10.900 -0.267 352 3HG2 THR 46 3HG2 THR 46 -8.677 11.103 1.472 353 H CYS 47 H CYS 47 -7.068 8.671 4.327 354 HA CYS 47 HA CYS 47 -6.063 5.885 3.901 355 1HB CYS 47 2HB CYS 47 -5.949 7.916 6.128 356 2HB CYS 47 1HB CYS 47 -5.611 6.215 6.444 357 HA PRO 48 HA PRO 48 -10.384 5.101 5.064 358 1HB PRO 48 2HB PRO 48 -10.495 2.643 3.867 359 2HB PRO 48 1HB PRO 48 -10.735 4.160 2.978 360 1HG PRO 48 2HG PRO 48 -8.336 2.412 3.124 361 2HG PRO 48 1HG PRO 48 -8.983 3.333 1.758 362 1HD PRO 48 2HD PRO 48 -6.839 4.130 3.269 363 2HD PRO 48 1HD PRO 48 -7.888 5.241 2.361 364 H LYS 49 H LYS 49 -11.063 2.453 5.697 365 HA LYS 49 HA LYS 49 -9.116 1.776 7.879 366 1HB LYS 49 2HB LYS 49 -11.537 2.881 8.232 367 2HB LYS 49 1HB LYS 49 -12.036 1.193 8.115 368 1HG LYS 49 2HG LYS 49 -10.479 0.579 9.907 369 2HG LYS 49 1HG LYS 49 -9.909 2.245 10.003 370 1HD LYS 49 2HD LYS 49 -12.698 2.437 10.201 371 2HD LYS 49 1HD LYS 49 -12.271 1.046 11.198 372 1HE LYS 49 2HE LYS 49 -10.892 2.327 12.617 373 2HE LYS 49 1HE LYS 49 -10.713 3.625 11.421 374 1HZ LYS 49 1HZ LYS 49 -13.338 2.851 12.557 375 2HZ LYS 49 2HZ LYS 49 -12.952 4.254 11.678 376 3HZ LYS 49 3HZ LYS 49 -12.369 4.052 13.261 377 H GLY 50 H GLY 50 -11.987 0.325 6.290 378 1HA GLY 50 2HA GLY 50 -11.282 -1.675 4.770 379 2HA GLY 50 1HA GLY 50 -10.523 -2.272 6.248 380 H SER 51 H SER 51 -11.906 -4.113 6.367 381 HA SER 51 HA SER 51 -14.662 -3.468 7.331 382 1HB SER 51 2HB SER 51 -14.110 -4.390 4.806 383 2HB SER 51 1HB SER 51 -14.358 -5.900 5.677 384 HG SER 51 HG SER 51 -16.115 -3.729 5.296 385 H VAL 52 H VAL 52 -13.297 -3.918 9.380 386 HA VAL 52 HA VAL 52 -12.884 -5.364 11.201 387 HB VAL 52 HB VAL 52 -14.373 -7.375 9.488 388 1HG1 VAL 52 1HG1 VAL 52 -14.469 -7.027 12.483 389 2HG1 VAL 52 2HG1 VAL 52 -13.215 -8.002 11.717 390 3HG1 VAL 52 3HG1 VAL 52 -14.912 -8.441 11.528 391 1HG2 VAL 52 1HG2 VAL 52 -16.330 -6.375 10.974 392 2HG2 VAL 52 2HG2 VAL 52 -15.882 -5.606 9.451 393 3HG2 VAL 52 3HG2 VAL 52 -15.300 -4.944 10.979 394 H TYR 53 H TYR 53 -12.829 -7.635 8.433 395 HA TYR 53 HA TYR 53 -9.884 -7.914 8.718 396 1HB TYR 53 2HB TYR 53 -11.416 -9.473 10.233 397 2HB TYR 53 1HB TYR 53 -11.575 -10.389 8.734 398 HD1 TYR 53 HD1 TYR 53 -9.721 -11.611 7.801 399 HD2 TYR 53 HD2 TYR 53 -9.178 -9.115 11.253 400 HE1 TYR 53 HE1 TYR 53 -7.481 -12.609 8.169 401 HE2 TYR 53 HE2 TYR 53 -6.937 -10.112 11.623 402 HH TYR 53 HH TYR 53 -5.671 -12.639 9.442 403 H GLY 54 H GLY 54 -10.942 -6.754 6.517 404 1HA GLY 54 2HA GLY 54 -10.702 -8.896 4.462 405 2HA GLY 54 1HA GLY 54 -12.053 -7.766 4.362 406 H LEU 55 H LEU 55 -10.705 -5.401 5.160 407 HA LEU 55 HA LEU 55 -8.846 -5.035 2.832 408 1HB LEU 55 2HB LEU 55 -11.114 -3.522 4.012 409 2HB LEU 55 1HB LEU 55 -9.758 -2.550 3.439 410 HG LEU 55 HG LEU 55 -9.916 -4.064 1.306 411 1HD1 LEU 55 1HD1 LEU 55 -12.031 -5.041 0.863 412 2HD1 LEU 55 2HD1 LEU 55 -12.794 -4.200 2.213 413 3HD1 LEU 55 3HD1 LEU 55 -11.667 -5.520 2.521 414 1HD2 LEU 55 1HD2 LEU 55 -11.860 -1.868 2.059 415 2HD2 LEU 55 2HD2 LEU 55 -11.731 -2.505 0.419 416 3HD2 LEU 55 3HD2 LEU 55 -10.347 -1.709 1.168 417 H TYR 56 H TYR 56 -6.833 -5.273 3.864 418 HA TYR 56 HA TYR 56 -6.306 -3.915 6.433 419 1HB TYR 56 2HB TYR 56 -5.453 -6.219 5.269 420 2HB TYR 56 1HB TYR 56 -4.135 -5.138 4.815 421 HD1 TYR 56 HD1 TYR 56 -6.277 -5.819 7.829 422 HD2 TYR 56 HD2 TYR 56 -2.350 -5.009 6.291 423 HE1 TYR 56 HE1 TYR 56 -5.345 -5.984 10.122 424 HE2 TYR 56 HE2 TYR 56 -1.418 -5.174 8.583 425 HH TYR 56 HH TYR 56 -3.495 -6.003 11.356 426 H VAL 57 H VAL 57 -6.456 -1.666 5.831 427 HA VAL 57 HA VAL 57 -4.742 -0.654 3.645 428 HB VAL 57 HB VAL 57 -7.082 0.131 4.146 429 1HG1 VAL 57 1HG1 VAL 57 -6.956 0.020 6.595 430 2HG1 VAL 57 2HG1 VAL 57 -7.357 1.660 6.086 431 3HG1 VAL 57 3HG1 VAL 57 -5.716 1.274 6.604 432 1HG2 VAL 57 1HG2 VAL 57 -6.417 2.003 3.085 433 2HG2 VAL 57 2HG2 VAL 57 -4.750 1.657 3.546 434 3HG2 VAL 57 3HG2 VAL 57 -5.769 2.643 4.595 435 H LEU 58 H LEU 58 -2.863 0.569 3.983 436 HA LEU 58 HA LEU 58 -2.063 1.251 6.763 437 1HB LEU 58 2HB LEU 58 -1.271 -1.095 5.418 438 2HB LEU 58 1HB LEU 58 0.119 -0.012 5.329 439 HG LEU 58 HG LEU 58 0.216 -1.358 7.384 440 1HD1 LEU 58 1HD1 LEU 58 0.550 1.360 7.187 441 2HD1 LEU 58 2HD1 LEU 58 0.992 0.401 8.599 442 3HD1 LEU 58 3HD1 LEU 58 -0.561 1.236 8.551 443 1HD2 LEU 58 1HD2 LEU 58 -2.319 -1.598 7.512 444 2HD2 LEU 58 2HD2 LEU 58 -2.352 0.025 8.199 445 3HD2 LEU 58 3HD2 LEU 58 -1.513 -1.273 9.047 446 H CYS 59 H CYS 59 -1.694 3.432 6.448 447 HA CYS 59 HA CYS 59 -0.564 4.440 3.922 448 1HB CYS 59 2HB CYS 59 -1.154 5.877 6.527 449 2HB CYS 59 1HB CYS 59 -1.057 6.587 4.914 450 H CYS 60 H CYS 60 1.486 5.530 3.787 451 HA CYS 60 HA CYS 60 3.303 5.348 6.137 452 1HB CYS 60 2HB CYS 60 3.207 3.502 3.952 453 2HB CYS 60 1HB CYS 60 4.686 4.424 3.816 454 H THR 61 H THR 61 5.164 6.751 5.912 455 HA THR 61 HA THR 61 5.315 8.455 3.506 456 HB THR 61 HB THR 61 3.717 9.551 4.993 457 HG1 THR 61 HG1 THR 61 4.753 11.235 4.314 458 1HG2 THR 61 1HG2 THR 61 3.887 9.372 7.226 459 2HG2 THR 61 2HG2 THR 61 5.460 10.170 7.201 460 3HG2 THR 61 3HG2 THR 61 5.355 8.421 7.003 461 H THR 62 H THR 62 7.357 9.704 3.455 462 HA THR 62 HA THR 62 9.673 9.977 3.813 463 HB THR 62 HB THR 62 9.175 8.821 6.551 464 HG1 THR 62 HG1 THR 62 7.619 10.223 6.678 465 1HG2 THR 62 1HG2 THR 62 11.293 9.581 6.745 466 2HG2 THR 62 2HG2 THR 62 10.600 11.202 6.703 467 3HG2 THR 62 3HG2 THR 62 11.194 10.458 5.218 468 H ASP 63 H ASP 63 11.568 8.744 3.629 469 HA ASP 63 HA ASP 63 12.717 6.778 2.929 470 1HB ASP 63 2HB ASP 63 12.755 7.117 5.495 471 2HB ASP 63 1HB ASP 63 11.620 5.768 5.552 472 H ASP 64 H ASP 64 11.580 5.837 1.174 473 HA ASP 64 HA ASP 64 10.279 4.162 0.101 474 1HB ASP 64 2HB ASP 64 11.321 3.155 2.594 475 2HB ASP 64 1HB ASP 64 9.738 2.438 2.291 476 H CYS 65 H CYS 65 8.841 3.988 3.400 477 HA CYS 65 HA CYS 65 6.193 3.732 2.817 478 1HB CYS 65 2HB CYS 65 7.816 5.153 4.883 479 2HB CYS 65 1HB CYS 65 6.077 5.424 4.896 480 H ASN 66 HN ASN 66 8.158 6.592 2.261 481 HA ASN 66 HA ASN 66 6.507 8.756 2.121 482 1HB ASN 66 2HB ASN 66 8.897 7.893 0.955 483 2HB ASN 66 1HB ASN 66 7.900 8.389 -0.412 484 1HD2 ASN 66 1HD2 ASN 66 9.097 10.366 -0.799 485 2HD2 ASN 66 2HD2 ASN 66 9.046 11.673 0.283 Start of MODEL 19 1 1H MET 1 1H MET 1 13.880 11.182 -1.916 2 2H MET 1 2H MET 1 14.426 10.226 -0.623 3 3H MET 1 3H MET 1 14.249 11.904 -0.427 4 HA MET 1 HA MET 1 12.418 10.238 0.446 5 1HB MET 1 2HB MET 1 12.422 12.978 -0.754 6 2HB MET 1 1HB MET 1 10.866 12.295 -0.277 7 1HG MET 1 2HG MET 1 12.405 11.672 1.897 8 2HG MET 1 1HG MET 1 13.113 13.211 1.405 9 1HE MET 1 1HE MET 1 10.855 11.245 2.974 10 2HE MET 1 2HE MET 1 9.213 11.872 2.853 11 3HE MET 1 3HE MET 1 10.264 12.421 4.154 12 H LYS 2 H LYS 2 11.912 8.395 -0.847 13 HA LYS 2 HA LYS 2 10.110 8.969 -3.171 14 1HB LYS 2 2HB LYS 2 12.490 7.115 -2.943 15 2HB LYS 2 1HB LYS 2 11.256 6.886 -4.181 16 1HG LYS 2 2HG LYS 2 11.814 8.841 -5.297 17 2HG LYS 2 1HG LYS 2 12.451 9.611 -3.844 18 1HD LYS 2 2HD LYS 2 13.869 7.165 -4.755 19 2HD LYS 2 1HD LYS 2 14.043 8.591 -5.778 20 1HE LYS 2 2HE LYS 2 15.165 9.798 -4.140 21 2HE LYS 2 1HE LYS 2 14.377 8.923 -2.813 22 1HZ LYS 2 1HZ LYS 2 16.770 8.295 -3.308 23 2HZ LYS 2 2HZ LYS 2 16.184 7.573 -4.731 24 3HZ LYS 2 3HZ LYS 2 15.657 7.019 -3.214 25 H CYS 3 H CYS 3 9.112 6.615 -3.784 26 HA CYS 3 HA CYS 3 8.390 5.231 -1.225 27 1HB CYS 3 2HB CYS 3 6.734 6.972 -2.159 28 2HB CYS 3 1HB CYS 3 6.455 5.829 -3.471 29 H LYS 4 H LYS 4 9.091 3.154 -1.483 30 HA LYS 4 HA LYS 4 9.454 1.947 -4.127 31 1HB LYS 4 2HB LYS 4 11.023 1.465 -2.368 32 2HB LYS 4 1HB LYS 4 9.728 1.014 -1.257 33 1HG LYS 4 2HG LYS 4 9.366 -0.614 -3.523 34 2HG LYS 4 1HG LYS 4 11.101 -0.626 -3.208 35 1HD LYS 4 2HD LYS 4 10.134 -0.880 -0.675 36 2HD LYS 4 1HD LYS 4 8.883 -1.726 -1.587 37 1HE LYS 4 2HE LYS 4 11.845 -2.288 -1.947 38 2HE LYS 4 1HE LYS 4 10.800 -3.215 -0.852 39 1HZ LYS 4 1HZ LYS 4 10.796 -4.271 -2.996 40 2HZ LYS 4 2HZ LYS 4 10.400 -2.811 -3.770 41 3HZ LYS 4 3HZ LYS 4 9.275 -3.563 -2.742 42 H ILE 5 H ILE 5 7.906 0.775 -5.196 43 HA ILE 5 HA ILE 5 5.482 -0.085 -3.655 44 HB ILE 5 HB ILE 5 5.958 0.650 -6.559 45 1HG1 ILE 5 2HG1 ILE 5 3.899 2.016 -4.944 46 2HG1 ILE 5 1HG1 ILE 5 5.549 2.271 -4.378 47 1HG2 ILE 5 1HG2 ILE 5 3.484 0.369 -6.783 48 2HG2 ILE 5 2HG2 ILE 5 3.448 -0.324 -5.162 49 3HG2 ILE 5 3HG2 ILE 5 4.317 -1.150 -6.456 50 1HD1 ILE 5 1HD1 ILE 5 5.905 2.581 -7.054 51 2HD1 ILE 5 2HD1 ILE 5 5.555 3.918 -5.959 52 3HD1 ILE 5 3HD1 ILE 5 4.252 3.173 -6.883 53 H CYS 6 H CYS 6 5.138 -2.267 -3.504 54 HA CYS 6 HA CYS 6 5.943 -4.111 -5.636 55 1HB CYS 6 2HB CYS 6 7.964 -3.434 -4.078 56 2HB CYS 6 1HB CYS 6 7.215 -4.563 -2.949 57 H ASN 7 H ASN 7 4.047 -5.283 -5.657 58 HA ASN 7 HA ASN 7 2.123 -5.624 -3.699 59 1HB ASN 7 2HB ASN 7 3.041 -6.974 -6.111 60 2HB ASN 7 1HB ASN 7 2.326 -8.114 -4.971 61 1HD2 ASN 7 1HD2 ASN 7 1.599 -4.767 -6.142 62 2HD2 ASN 7 2HD2 ASN 7 -0.067 -5.040 -6.317 63 H PHE 8 H PHE 8 1.747 -7.215 -2.045 64 HA PHE 8 HA PHE 8 4.225 -8.232 -0.778 65 1HB PHE 8 2HB PHE 8 1.599 -7.298 -0.006 66 2HB PHE 8 1HB PHE 8 1.907 -8.882 0.709 67 HD1 PHE 8 HD1 PHE 8 3.437 -9.144 2.506 68 HD2 PHE 8 HD2 PHE 8 3.318 -5.455 0.307 69 HE1 PHE 8 HE1 PHE 8 4.940 -8.098 4.178 70 HE2 PHE 8 HE2 PHE 8 4.822 -4.410 1.980 71 HZ PHE 8 HZ PHE 8 5.632 -5.731 3.916 72 H ASP 9 H ASP 9 4.438 -10.481 -0.173 73 HA ASP 9 HA ASP 9 4.152 -12.816 -0.446 74 1HB ASP 9 2HB ASP 9 1.667 -11.709 -0.121 75 2HB ASP 9 1HB ASP 9 1.486 -12.505 -1.685 76 H THR 10 H THR 10 4.512 -10.651 -2.843 77 HA THR 10 HA THR 10 5.278 -12.590 -4.830 78 HB THR 10 HB THR 10 2.758 -12.756 -4.822 79 HG1 THR 10 HG1 THR 10 2.647 -12.338 -7.169 80 1HG2 THR 10 1HG2 THR 10 2.201 -10.425 -6.362 81 2HG2 THR 10 2HG2 THR 10 3.029 -9.909 -4.892 82 3HG2 THR 10 3HG2 THR 10 1.551 -10.864 -4.782 83 H CYS 11 H CYS 11 6.578 -10.345 -3.786 84 HA CYS 11 HA CYS 11 6.373 -7.851 -4.966 85 1HB CYS 11 2HB CYS 11 8.345 -9.474 -3.695 86 2HB CYS 11 1HB CYS 11 9.110 -8.713 -5.088 87 H ARG 12 H ARG 12 5.597 -7.846 -7.129 88 HA ARG 12 HA ARG 12 7.373 -9.135 -9.171 89 1HB ARG 12 2HB ARG 12 4.433 -8.399 -9.124 90 2HB ARG 12 1HB ARG 12 5.262 -8.976 -10.571 91 1HG ARG 12 2HG ARG 12 5.947 -10.757 -8.470 92 2HG ARG 12 1HG ARG 12 4.202 -10.515 -8.387 93 1HD ARG 12 2HD ARG 12 3.880 -11.758 -10.256 94 2HD ARG 12 1HD ARG 12 5.096 -10.823 -11.148 95 HE ARG 12 HE ARG 12 6.504 -12.427 -9.299 96 1HH1 ARG 12 2HH1 ARG 12 3.957 -13.354 -11.322 97 2HH1 ARG 12 1HH1 ARG 12 4.841 -14.599 -12.139 98 1HH2 ARG 12 1HH2 ARG 12 7.867 -13.791 -10.651 99 2HH2 ARG 12 2HH2 ARG 12 7.057 -14.845 -11.760 100 H ALA 13 H ALA 13 6.157 -6.146 -7.958 101 HA ALA 13 HA ALA 13 6.894 -4.683 -10.449 102 1HB ALA 13 1HB ALA 13 4.826 -4.495 -8.592 103 2HB ALA 13 2HB ALA 13 5.236 -3.278 -9.801 104 3HB ALA 13 3HB ALA 13 5.886 -3.151 -8.167 105 H GLY 14 H GLY 14 7.271 -3.969 -6.957 106 1HA GLY 14 2HA GLY 14 9.088 -3.061 -5.782 107 2HA GLY 14 1HA GLY 14 10.112 -3.947 -6.914 108 H GLU 15 H GLU 15 7.786 -1.373 -7.673 109 HA GLU 15 HA GLU 15 10.003 0.125 -8.991 110 1HB GLU 15 2HB GLU 15 7.186 -0.425 -9.456 111 2HB GLU 15 1HB GLU 15 7.506 1.308 -9.519 112 1HG GLU 15 2HG GLU 15 9.398 0.854 -11.092 113 2HG GLU 15 1HG GLU 15 8.934 -0.847 -11.101 114 H LEU 16 H LEU 16 10.864 1.793 -7.820 115 HA LEU 16 HA LEU 16 9.246 3.023 -5.641 116 1HB LEU 16 2HB LEU 16 11.390 2.260 -4.946 117 2HB LEU 16 1HB LEU 16 12.172 2.906 -6.389 118 HG LEU 16 HG LEU 16 10.768 4.995 -4.936 119 1HD1 LEU 16 1HD1 LEU 16 11.797 4.935 -2.853 120 2HD1 LEU 16 2HD1 LEU 16 13.132 3.937 -3.427 121 3HD1 LEU 16 3HD1 LEU 16 11.551 3.212 -3.135 122 1HD2 LEU 16 1HD2 LEU 16 12.524 6.178 -5.746 123 2HD2 LEU 16 2HD2 LEU 16 12.975 4.701 -6.598 124 3HD2 LEU 16 3HD2 LEU 16 13.697 5.072 -5.032 125 H LYS 17 H LYS 17 8.741 5.231 -5.670 126 HA LYS 17 HA LYS 17 9.801 6.928 -7.867 127 1HB LYS 17 2HB LYS 17 7.562 5.529 -8.307 128 2HB LYS 17 1HB LYS 17 6.843 6.873 -7.419 129 1HG LYS 17 2HG LYS 17 7.106 8.287 -9.161 130 2HG LYS 17 1HG LYS 17 8.777 7.782 -9.411 131 1HD LYS 17 2HD LYS 17 7.427 5.566 -10.271 132 2HD LYS 17 1HD LYS 17 6.309 6.848 -10.740 133 1HE LYS 17 2HE LYS 17 7.923 7.912 -12.119 134 2HE LYS 17 1HE LYS 17 9.265 7.016 -11.377 135 1HZ LYS 17 1HZ LYS 17 7.175 6.030 -13.211 136 2HZ LYS 17 2HZ LYS 17 7.943 4.960 -12.138 137 3HZ LYS 17 3HZ LYS 17 8.854 5.808 -13.294 138 H VAL 18 H VAL 18 7.383 8.720 -7.187 139 HA VAL 18 HA VAL 18 8.348 9.679 -4.517 140 HB VAL 18 HB VAL 18 7.877 11.975 -5.588 141 1HG1 VAL 18 1HG1 VAL 18 10.093 12.107 -6.393 142 2HG1 VAL 18 2HG1 VAL 18 10.072 10.443 -6.978 143 3HG1 VAL 18 3HG1 VAL 18 10.147 10.769 -5.246 144 1HG2 VAL 18 1HG2 VAL 18 8.388 10.750 -8.234 145 2HG2 VAL 18 2HG2 VAL 18 7.365 12.122 -7.809 146 3HG2 VAL 18 3HG2 VAL 18 6.772 10.477 -7.584 147 H CYS 19 H CYS 19 6.686 11.097 -3.431 148 HA CYS 19 HA CYS 19 3.995 11.378 -4.273 149 1HB CYS 19 2HB CYS 19 4.816 8.697 -3.583 150 2HB CYS 19 1HB CYS 19 3.581 9.246 -2.449 151 H ALA 20 H ALA 20 5.505 10.086 -1.281 152 HA ALA 20 HA ALA 20 3.985 11.792 0.475 153 1HB ALA 20 1HB ALA 20 4.808 9.913 1.536 154 2HB ALA 20 2HB ALA 20 6.107 11.033 1.952 155 3HB ALA 20 3HB ALA 20 6.302 9.917 0.599 156 H SER 21 H SER 21 4.435 13.884 -0.743 157 HA SER 21 HA SER 21 7.160 15.000 -0.318 158 1HB SER 21 2HB SER 21 6.551 16.501 -2.006 159 2HB SER 21 1HB SER 21 5.598 15.087 -2.445 160 HG SER 21 HG SER 21 3.898 16.062 -1.133 161 H GLY 22 H GLY 22 3.852 15.297 0.837 162 1HA GLY 22 2HA GLY 22 4.215 16.308 3.317 163 2HA GLY 22 1HA GLY 22 4.452 17.759 2.343 164 H GLU 23 H GLU 23 2.475 16.591 0.327 165 HA GLU 23 HA GLU 23 0.045 17.638 1.685 166 1HB GLU 23 2HB GLU 23 0.683 16.951 -1.204 167 2HB GLU 23 1HB GLU 23 -0.777 17.771 -0.650 168 1HG GLU 23 2HG GLU 23 0.289 19.752 -0.629 169 2HG GLU 23 1HG GLU 23 1.544 19.102 0.427 170 H LYS 24 H LYS 24 0.944 14.869 -0.414 171 HA LYS 24 HA LYS 24 -1.300 13.324 0.848 172 1HB LYS 24 2HB LYS 24 -1.083 12.035 -1.391 173 2HB LYS 24 1HB LYS 24 -1.784 13.652 -1.452 174 1HG LYS 24 2HG LYS 24 0.343 14.604 -2.151 175 2HG LYS 24 1HG LYS 24 1.144 13.045 -1.952 176 1HD LYS 24 2HD LYS 24 0.038 12.100 -3.805 177 2HD LYS 24 1HD LYS 24 -1.221 13.335 -3.796 178 1HE LYS 24 2HE LYS 24 0.348 13.754 -5.652 179 2HE LYS 24 1HE LYS 24 0.510 15.039 -4.438 180 1HZ LYS 24 1HZ LYS 24 2.600 13.703 -5.284 181 2HZ LYS 24 2HZ LYS 24 2.099 12.605 -4.088 182 3HZ LYS 24 3HZ LYS 24 2.472 14.209 -3.670 183 H TYR 25 H TYR 25 -0.785 10.828 0.545 184 HA TYR 25 HA TYR 25 2.114 10.306 1.069 185 1HB TYR 25 2HB TYR 25 0.921 8.619 2.832 186 2HB TYR 25 1HB TYR 25 1.457 10.237 3.269 187 HD1 TYR 25 HD1 TYR 25 -1.518 8.527 1.728 188 HD2 TYR 25 HD2 TYR 25 -0.074 11.642 4.311 189 HE1 TYR 25 HE1 TYR 25 -3.854 9.140 2.298 190 HE2 TYR 25 HE2 TYR 25 -2.408 12.254 4.880 191 HH TYR 25 HH TYR 25 -4.588 11.407 4.845 192 H CYS 26 H CYS 26 2.542 7.863 0.999 193 HA CYS 26 HA CYS 26 1.443 6.755 -1.439 194 1HB CYS 26 2HB CYS 26 3.532 6.240 0.504 195 2HB CYS 26 1HB CYS 26 2.718 4.739 0.069 196 H PHE 27 H PHE 27 0.076 4.872 -1.627 197 HA PHE 27 HA PHE 27 -1.503 4.245 0.848 198 1HB PHE 27 2HB PHE 27 -2.965 5.516 -0.437 199 2HB PHE 27 1HB PHE 27 -2.239 5.000 -1.956 200 HD1 PHE 27 HD1 PHE 27 -3.382 2.821 0.847 201 HD2 PHE 27 HD2 PHE 27 -4.124 4.199 -3.153 202 HE1 PHE 27 HE1 PHE 27 -5.151 1.102 0.581 203 HE2 PHE 27 HE2 PHE 27 -5.891 2.481 -3.419 204 HZ PHE 27 HZ PHE 27 -6.405 0.933 -1.553 205 H LYS 28 H LYS 28 -1.164 2.136 1.396 206 HA LYS 28 HA LYS 28 -0.694 0.144 -0.797 207 1HB LYS 28 2HB LYS 28 0.711 -1.011 0.768 208 2HB LYS 28 1HB LYS 28 1.128 0.696 0.921 209 1HG LYS 28 2HG LYS 28 -0.876 0.554 2.735 210 2HG LYS 28 1HG LYS 28 -0.254 -1.093 2.846 211 1HD LYS 28 2HD LYS 28 1.779 1.075 2.794 212 2HD LYS 28 1HD LYS 28 0.797 0.962 4.254 213 1HE LYS 28 2HE LYS 28 1.551 -1.216 4.747 214 2HE LYS 28 1HE LYS 28 2.086 -1.505 3.079 215 1HZ LYS 28 1HZ LYS 28 4.036 -0.971 4.239 216 2HZ LYS 28 2HZ LYS 28 3.292 0.287 5.106 217 3HZ LYS 28 3HZ LYS 28 3.615 0.468 3.448 218 H GLU 29 H GLU 29 -2.054 -1.669 -0.829 219 HA GLU 29 HA GLU 29 -4.088 -1.856 1.373 220 1HB GLU 29 2HB GLU 29 -4.622 -0.941 -1.065 221 2HB GLU 29 1HB GLU 29 -4.678 -2.662 -1.451 222 1HG GLU 29 2HG GLU 29 -6.145 -1.685 0.972 223 2HG GLU 29 1HG GLU 29 -6.856 -1.407 -0.618 224 H SER 30 H SER 30 -4.901 -4.023 1.761 225 HA SER 30 HA SER 30 -3.468 -6.287 0.482 226 1HB SER 30 2HB SER 30 -1.966 -6.164 2.206 227 2HB SER 30 1HB SER 30 -3.040 -5.174 3.189 228 HG SER 30 HG SER 30 -2.632 -7.382 3.945 229 H TRP 31 H TRP 31 -5.562 -6.955 -0.277 230 HA TRP 31 HA TRP 31 -7.812 -7.274 1.562 231 1HB TRP 31 2HB TRP 31 -7.527 -6.898 -1.097 232 2HB TRP 31 1HB TRP 31 -7.696 -8.653 -1.074 233 HD1 TRP 31 HD1 TRP 31 -9.881 -9.523 0.509 234 HE1 TRP 31 HE1 TRP 31 -12.269 -8.552 0.519 235 HE3 TRP 31 HE3 TRP 31 -8.965 -4.914 -1.490 236 HZ2 TRP 31 HZ2 TRP 31 -13.613 -6.137 -0.225 237 HZ3 TRP 31 HZ3 TRP 31 -10.815 -3.301 -1.828 238 HH2 TRP 31 HH2 TRP 31 -13.136 -3.905 -1.200 239 H ARG 32 H ARG 32 -7.831 -8.939 3.021 240 HA ARG 32 HA ARG 32 -6.337 -11.441 2.430 241 1HB ARG 32 2HB ARG 32 -6.679 -9.844 4.658 242 2HB ARG 32 1HB ARG 32 -7.810 -11.162 4.965 243 1HG ARG 32 2HG ARG 32 -5.847 -12.043 5.857 244 2HG ARG 32 1HG ARG 32 -5.786 -12.676 4.211 245 1HD ARG 32 2HD ARG 32 -3.850 -11.568 3.834 246 2HD ARG 32 1HD ARG 32 -4.620 -10.029 4.272 247 HE ARG 32 HE ARG 32 -4.251 -10.878 6.716 248 1HH1 ARG 32 1HH2 ARG 32 -2.083 -10.702 4.108 249 2HH1 ARG 32 2HH2 ARG 32 -0.724 -11.312 4.992 250 1HH2 ARG 32 2HH1 ARG 32 -2.567 -12.050 7.835 251 2HH2 ARG 32 1HH1 ARG 32 -0.997 -12.074 7.103 252 H GLU 33 H GLU 33 -7.604 -12.793 1.152 253 HA GLU 33 HA GLU 33 -10.448 -13.223 2.014 254 1HB GLU 33 2HB GLU 33 -9.797 -12.171 -0.276 255 2HB GLU 33 1HB GLU 33 -9.299 -13.805 -0.715 256 1HG GLU 33 2HG GLU 33 -11.454 -14.619 -0.702 257 2HG GLU 33 1HG GLU 33 -11.985 -13.485 0.541 258 H ALA 34 H ALA 34 -11.229 -15.468 1.732 259 HA ALA 34 HA ALA 34 -9.435 -17.448 2.774 260 1HB ALA 34 1HB ALA 34 -11.346 -18.906 2.489 261 2HB ALA 34 2HB ALA 34 -12.031 -17.845 1.257 262 3HB ALA 34 3HB ALA 34 -11.961 -17.314 2.937 263 H ARG 35 H ARG 35 -10.440 -16.607 -0.512 264 HA ARG 35 HA ARG 35 -9.325 -18.949 -1.802 265 1HB ARG 35 2HB ARG 35 -10.482 -16.303 -2.501 266 2HB ARG 35 1HB ARG 35 -9.420 -17.017 -3.715 267 1HG ARG 35 2HG ARG 35 -10.828 -18.802 -4.102 268 2HG ARG 35 1HG ARG 35 -11.459 -18.794 -2.454 269 1HD ARG 35 2HD ARG 35 -13.160 -18.023 -4.125 270 2HD ARG 35 1HD ARG 35 -12.760 -16.751 -2.952 271 HE ARG 35 HE ARG 35 -10.904 -16.372 -4.967 272 1HH1 ARG 35 2HH1 ARG 35 -13.148 -14.435 -4.402 273 2HH1 ARG 35 1HH1 ARG 35 -13.956 -14.376 -5.932 274 1HH2 ARG 35 1HH2 ARG 35 -12.452 -17.258 -7.136 275 2HH2 ARG 35 2HH2 ARG 35 -13.560 -15.973 -7.481 276 H GLY 36 H GLY 36 -8.082 -15.739 -0.960 277 1HA GLY 36 2HA GLY 36 -5.371 -16.500 -0.866 278 2HA GLY 36 1HA GLY 36 -5.663 -15.896 -2.498 279 H THR 37 H THR 37 -3.994 -14.268 -1.548 280 HA THR 37 HA THR 37 -5.490 -12.046 -0.193 281 HB THR 37 HB THR 37 -3.447 -11.544 0.964 282 HG1 THR 37 HG1 THR 37 -1.539 -12.738 0.424 283 1HG2 THR 37 1HG2 THR 37 -3.808 -13.262 2.363 284 2HG2 THR 37 2HG2 THR 37 -2.904 -14.334 1.292 285 3HG2 THR 37 3HG2 THR 37 -4.642 -14.128 1.072 286 H ARG 38 H ARG 38 -5.217 -9.967 -1.089 287 HA ARG 38 HA ARG 38 -3.492 -9.769 -3.535 288 1HB ARG 38 2HB ARG 38 -6.345 -8.823 -3.107 289 2HB ARG 38 1HB ARG 38 -5.385 -8.491 -4.549 290 1HG ARG 38 2HG ARG 38 -5.071 -11.162 -4.443 291 2HG ARG 38 1HG ARG 38 -6.647 -11.035 -3.660 292 1HD ARG 38 2HD ARG 38 -6.695 -9.287 -5.914 293 2HD ARG 38 1HD ARG 38 -6.060 -10.851 -6.460 294 HE ARG 38 HE ARG 38 -8.092 -11.911 -5.694 295 1HH1 ARG 38 1HH2 ARG 38 -8.450 -9.978 -3.332 296 2HH1 ARG 38 2HH2 ARG 38 -9.913 -9.174 -3.794 297 1HH2 ARG 38 2HH1 ARG 38 -9.771 -10.243 -7.090 298 2HH2 ARG 38 1HH1 ARG 38 -10.661 -9.324 -5.922 299 H ILE 39 H ILE 39 -1.979 -8.216 -3.040 300 HA ILE 39 HA ILE 39 -2.757 -5.969 -1.235 301 HB ILE 39 HB ILE 39 -0.140 -7.160 -2.187 302 1HG1 ILE 39 2HG1 ILE 39 -0.283 -6.960 0.616 303 2HG1 ILE 39 1HG1 ILE 39 -1.886 -7.496 0.109 304 1HG2 ILE 39 1HG2 ILE 39 0.892 -5.214 -1.733 305 2HG2 ILE 39 2HG2 ILE 39 0.243 -5.257 -0.094 306 3HG2 ILE 39 3HG2 ILE 39 -0.665 -4.464 -1.381 307 1HD1 ILE 39 1HD1 ILE 39 0.022 -9.269 0.521 308 2HD1 ILE 39 2HD1 ILE 39 0.535 -8.794 -1.098 309 3HD1 ILE 39 3HD1 ILE 39 -1.078 -9.461 -0.844 310 H GLU 40 H GLU 40 -2.697 -3.836 -1.970 311 HA GLU 40 HA GLU 40 -1.995 -3.432 -4.863 312 1HB GLU 40 2HB GLU 40 -4.381 -2.960 -3.301 313 2HB GLU 40 1HB GLU 40 -3.783 -1.433 -3.950 314 1HG GLU 40 2HG GLU 40 -3.673 -3.627 -5.893 315 2HG GLU 40 1HG GLU 40 -5.312 -3.264 -5.347 316 H ARG 41 H ARG 41 -1.600 -0.935 -5.224 317 HA ARG 41 HA ARG 41 -0.358 0.425 -2.911 318 1HB ARG 41 2HB ARG 41 1.757 0.621 -4.528 319 2HB ARG 41 1HB ARG 41 1.563 -0.759 -3.451 320 1HG ARG 41 2HG ARG 41 2.134 -1.581 -5.664 321 2HG ARG 41 1HG ARG 41 0.454 -2.000 -5.329 322 1HD ARG 41 2HD ARG 41 -0.299 -0.028 -6.627 323 2HD ARG 41 1HD ARG 41 1.393 0.371 -6.985 324 HE ARG 41 HE ARG 41 1.033 -2.345 -7.672 325 1HH1 ARG 41 1HH2 ARG 41 2.096 -0.482 -9.664 326 2HH1 ARG 41 2HH2 ARG 41 0.821 -0.374 -10.833 327 1HH2 ARG 41 2HH1 ARG 41 -1.592 -1.677 -8.711 328 2HH2 ARG 41 1HH1 ARG 41 -1.267 -1.048 -10.293 329 H GLY 42 H GLY 42 0.614 2.599 -3.729 330 1HA GLY 42 2HA GLY 42 0.381 3.980 -5.987 331 2HA GLY 42 1HA GLY 42 -1.335 3.764 -5.641 332 H CYS 43 H CYS 43 -1.134 6.236 -5.589 333 HA CYS 43 HA CYS 43 -0.121 7.201 -2.944 334 1HB CYS 43 2HB CYS 43 0.260 8.078 -5.535 335 2HB CYS 43 1HB CYS 43 -1.023 9.145 -4.963 336 H ALA 44 H ALA 44 -1.525 8.631 -1.709 337 HA ALA 44 HA ALA 44 -4.331 8.967 -2.529 338 1HB ALA 44 1HB ALA 44 -3.609 7.266 -0.123 339 2HB ALA 44 2HB ALA 44 -4.076 6.600 -1.688 340 3HB ALA 44 3HB ALA 44 -5.226 7.564 -0.759 341 H ALA 45 H ALA 45 -5.567 10.068 -0.661 342 HA ALA 45 HA ALA 45 -3.733 11.609 1.134 343 1HB ALA 45 1HB ALA 45 -5.812 13.315 0.212 344 2HB ALA 45 2HB ALA 45 -5.159 12.497 -1.207 345 3HB ALA 45 3HB ALA 45 -4.090 13.428 -0.156 346 H THR 46 H THR 46 -6.196 9.512 1.063 347 HA THR 46 HA THR 46 -7.789 10.884 3.200 348 HB THR 46 HB THR 46 -8.652 8.378 1.806 349 HG1 THR 46 HG1 THR 46 -8.390 9.324 -0.039 350 1HG2 THR 46 1HG2 THR 46 -9.829 10.075 3.593 351 2HG2 THR 46 2HG2 THR 46 -10.720 9.042 2.475 352 3HG2 THR 46 3HG2 THR 46 -10.416 10.730 2.065 353 H CYS 47 H CYS 47 -6.018 7.932 2.359 354 HA CYS 47 HA CYS 47 -5.240 6.164 3.718 355 1HB CYS 47 2HB CYS 47 -4.307 8.332 4.735 356 2HB CYS 47 1HB CYS 47 -5.585 8.184 5.941 357 HA PRO 48 HA PRO 48 -9.572 5.463 5.287 358 1HB PRO 48 2HB PRO 48 -10.152 3.355 3.640 359 2HB PRO 48 1HB PRO 48 -10.451 5.045 3.187 360 1HG PRO 48 2HG PRO 48 -8.236 3.234 2.383 361 2HG PRO 48 1HG PRO 48 -9.085 4.468 1.442 362 1HD PRO 48 2HD PRO 48 -6.603 4.820 2.550 363 2HD PRO 48 1HD PRO 48 -7.726 6.146 2.177 364 H LYS 49 H LYS 49 -10.394 3.157 6.060 365 HA LYS 49 HA LYS 49 -8.016 1.671 7.130 366 1HB LYS 49 2HB LYS 49 -10.785 2.253 8.213 367 2HB LYS 49 1HB LYS 49 -9.685 1.103 8.973 368 1HG LYS 49 2HG LYS 49 -7.961 3.016 8.970 369 2HG LYS 49 1HG LYS 49 -9.325 4.081 8.626 370 1HD LYS 49 2HD LYS 49 -10.133 2.365 10.740 371 2HD LYS 49 1HD LYS 49 -8.524 2.962 11.150 372 1HE LYS 49 2HE LYS 49 -9.483 5.295 10.410 373 2HE LYS 49 1HE LYS 49 -11.056 4.525 10.701 374 1HZ LYS 49 1HZ LYS 49 -10.318 5.443 12.759 375 2HZ LYS 49 2HZ LYS 49 -8.783 4.733 12.600 376 3HZ LYS 49 3HZ LYS 49 -10.148 3.759 12.869 377 H GLY 50 H GLY 50 -9.002 -0.645 7.934 378 1HA GLY 50 2HA GLY 50 -10.213 -1.838 5.479 379 2HA GLY 50 1HA GLY 50 -9.203 -2.715 6.631 380 H SER 51 H SER 51 -10.897 -4.306 6.896 381 HA SER 51 HA SER 51 -13.080 -3.360 8.717 382 1HB SER 51 2HB SER 51 -14.295 -3.643 6.764 383 2HB SER 51 1HB SER 51 -13.173 -4.840 6.120 384 HG SER 51 HG SER 51 -14.940 -5.980 6.726 385 H VAL 52 H VAL 52 -11.372 -4.270 10.270 386 HA VAL 52 HA VAL 52 -10.774 -5.977 11.787 387 HB VAL 52 HB VAL 52 -12.927 -7.556 10.358 388 1HG1 VAL 52 1HG1 VAL 52 -11.705 -7.575 13.120 389 2HG1 VAL 52 2HG1 VAL 52 -11.829 -8.907 11.971 390 3HG1 VAL 52 3HG1 VAL 52 -13.272 -8.317 12.795 391 1HG2 VAL 52 1HG2 VAL 52 -13.945 -6.238 12.665 392 2HG2 VAL 52 2HG2 VAL 52 -14.426 -5.996 10.987 393 3HG2 VAL 52 3HG2 VAL 52 -13.138 -5.014 11.684 394 H TYR 53 H TYR 53 -11.754 -7.819 8.871 395 HA TYR 53 HA TYR 53 -8.931 -8.516 8.321 396 1HB TYR 53 2HB TYR 53 -10.057 -10.015 10.145 397 2HB TYR 53 1HB TYR 53 -10.932 -10.721 8.787 398 HD1 TYR 53 HD1 TYR 53 -9.890 -12.281 7.337 399 HD2 TYR 53 HD2 TYR 53 -7.510 -9.984 10.078 400 HE1 TYR 53 HE1 TYR 53 -7.911 -13.669 6.781 401 HE2 TYR 53 HE2 TYR 53 -5.531 -11.371 9.521 402 HH TYR 53 HH TYR 53 -4.710 -12.836 7.908 403 H GLY 54 H GLY 54 -10.399 -7.056 6.590 404 1HA GLY 54 2HA GLY 54 -11.156 -9.039 4.487 405 2HA GLY 54 1HA GLY 54 -12.156 -7.615 4.776 406 H LEU 55 H LEU 55 -10.484 -5.548 4.977 407 HA LEU 55 HA LEU 55 -8.657 -5.689 2.605 408 1HB LEU 55 2HB LEU 55 -9.640 -3.335 2.129 409 2HB LEU 55 1HB LEU 55 -10.656 -4.728 1.761 410 HG LEU 55 HG LEU 55 -10.897 -3.746 4.532 411 1HD1 LEU 55 1HD1 LEU 55 -12.408 -2.097 2.587 412 2HD1 LEU 55 2HD1 LEU 55 -10.684 -1.740 2.708 413 3HD1 LEU 55 3HD1 LEU 55 -11.708 -1.646 4.141 414 1HD2 LEU 55 1HD2 LEU 55 -12.807 -4.912 4.279 415 2HD2 LEU 55 2HD2 LEU 55 -12.373 -5.231 2.599 416 3HD2 LEU 55 3HD2 LEU 55 -13.329 -3.807 3.007 417 H TYR 56 H TYR 56 -6.755 -5.527 3.857 418 HA TYR 56 HA TYR 56 -6.498 -3.550 6.007 419 1HB TYR 56 2HB TYR 56 -5.399 -5.773 5.999 420 2HB TYR 56 1HB TYR 56 -4.484 -5.306 4.566 421 HD1 TYR 56 HD1 TYR 56 -2.260 -4.869 5.093 422 HD2 TYR 56 HD2 TYR 56 -5.345 -3.572 7.785 423 HE1 TYR 56 HE1 TYR 56 -0.551 -3.794 6.534 424 HE2 TYR 56 HE2 TYR 56 -3.637 -2.497 9.225 425 HH TYR 56 HH TYR 56 -1.234 -2.699 9.687 426 H VAL 57 H VAL 57 -6.593 -1.434 5.188 427 HA VAL 57 HA VAL 57 -4.704 -0.762 2.955 428 HB VAL 57 HB VAL 57 -6.971 -0.346 2.329 429 1HG1 VAL 57 1HG1 VAL 57 -8.138 -0.546 4.386 430 2HG1 VAL 57 2HG1 VAL 57 -8.406 1.123 3.883 431 3HG1 VAL 57 3HG1 VAL 57 -7.214 0.758 5.130 432 1HG2 VAL 57 1HG2 VAL 57 -5.124 1.721 2.566 433 2HG2 VAL 57 2HG2 VAL 57 -6.594 2.402 3.266 434 3HG2 VAL 57 3HG2 VAL 57 -6.611 1.774 1.618 435 H LEU 58 H LEU 58 -3.220 0.909 3.308 436 HA LEU 58 HA LEU 58 -3.416 2.544 5.778 437 1HB LEU 58 2HB LEU 58 -1.907 0.142 5.555 438 2HB LEU 58 1HB LEU 58 -0.752 1.474 5.562 439 HG LEU 58 HG LEU 58 -2.634 2.161 7.519 440 1HD1 LEU 58 1HD1 LEU 58 -2.162 -0.086 8.920 441 2HD1 LEU 58 2HD1 LEU 58 -2.239 -0.783 7.303 442 3HD1 LEU 58 3HD1 LEU 58 -3.612 0.123 7.940 443 1HD2 LEU 58 1HD2 LEU 58 -0.072 0.712 8.154 444 2HD2 LEU 58 2HD2 LEU 58 -0.768 2.128 8.943 445 3HD2 LEU 58 3HD2 LEU 58 -0.022 2.281 7.351 446 H CYS 59 H CYS 59 -1.769 4.307 5.752 447 HA CYS 59 HA CYS 59 -0.752 4.882 2.988 448 1HB CYS 59 2HB CYS 59 -1.357 7.239 3.469 449 2HB CYS 59 1HB CYS 59 -2.764 6.183 3.602 450 H CYS 60 H CYS 60 1.345 5.796 2.900 451 HA CYS 60 HA CYS 60 2.765 6.038 5.538 452 1HB CYS 60 2HB CYS 60 3.493 4.848 2.874 453 2HB CYS 60 1HB CYS 60 4.756 5.431 3.949 454 H THR 61 H THR 61 4.436 7.667 5.630 455 HA THR 61 HA THR 61 4.651 9.576 3.397 456 HB THR 61 HB THR 61 2.672 10.159 4.882 457 HG1 THR 61 HG1 THR 61 4.897 11.863 4.578 458 1HG2 THR 61 1HG2 THR 61 2.959 10.700 7.116 459 2HG2 THR 61 2HG2 THR 61 4.660 11.115 6.904 460 3HG2 THR 61 3HG2 THR 61 4.163 9.423 6.944 461 H THR 62 H THR 62 6.614 7.818 4.395 462 HA THR 62 HA THR 62 8.573 9.766 5.518 463 HB THR 62 HB THR 62 7.497 8.469 7.361 464 HG1 THR 62 HG1 THR 62 9.396 8.038 8.319 465 1HG2 THR 62 1HG2 THR 62 8.476 6.176 5.672 466 2HG2 THR 62 2HG2 THR 62 6.881 6.421 6.382 467 3HG2 THR 62 3HG2 THR 62 8.246 5.986 7.410 468 H ASP 63 H ASP 63 10.695 7.971 5.824 469 HA ASP 63 HA ASP 63 11.733 7.697 3.202 470 1HB ASP 63 2HB ASP 63 12.775 7.626 5.614 471 2HB ASP 63 1HB ASP 63 12.519 5.886 5.471 472 H ASP 64 H ASP 64 11.754 5.981 1.719 473 HA ASP 64 HA ASP 64 11.083 3.936 0.725 474 1HB ASP 64 2HB ASP 64 11.862 3.465 3.372 475 2HB ASP 64 1HB ASP 64 10.333 2.603 3.203 476 H CYS 65 H CYS 65 8.931 3.895 3.622 477 HA CYS 65 HA CYS 65 6.611 3.182 2.111 478 1HB CYS 65 2HB CYS 65 7.433 3.353 4.744 479 2HB CYS 65 1HB CYS 65 6.235 4.639 4.648 480 H ASN 66 HN ASN 66 8.255 6.156 2.458 481 HA ASN 66 HA ASN 66 6.773 8.345 2.581 482 1HB ASN 66 2HB ASN 66 8.966 7.534 1.074 483 2HB ASN 66 1HB ASN 66 7.867 8.216 -0.126 484 1HD2 ASN 66 1HD2 ASN 66 9.406 10.070 -0.329 485 2HD2 ASN 66 2HD2 ASN 66 9.402 11.296 0.845