Detailed results of SSR10_R3_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 1661
# INTRA-RESIDUE RESTRAINTS (I=J) : 542
# SEQUENTIAL RESTRAINTS (I-J)=1 : 444
# BACKBONE-BACKBONE : 131
# BACKBONE-SIDE CHAIN : 18
# SIDE CHAIN-SIDE CHAIN : 295
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 362
# BACKBONE-BACKBONE : 144
# BACKBONE-SIDE CHAIN : 129
# SIDE CHAIN-SIDE CHAIN : 89
# LONG RANGE RESTRAINTS (I-J)>=5 : 313
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 1661
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
MET 1 0 0.0 0.0 0.0 0.0 0.0
SER 2 0 0.0 0.0 0.0 0.0 0.0
ILE 3 4 4.0 3.5 0.5 0.0 0.0
SER 4 0 6.5 5.5 0.0 1.0 0.0
THR 5 1 10.5 4.0 4.5 2.0 0.0
SER 6 3 7.0 3.5 3.5 0.0 0.0
ALA 7 0 12.0 2.0 3.0 7.0 0.0
GLU 8 6 10.0 2.0 4.0 4.0 0.0
VAL 9 2 10.5 4.5 5.0 1.0 0.0
TYR 10 2 22.0 4.5 5.5 12.0 0.0
TYR 11 2 16.5 4.5 3.0 9.0 0.0
GLU 12 3 9.5 4.5 4.5 0.5 0.0
GLU 13 9 8.5 5.0 3.5 0.0 0.0
ALA 14 0 14.5 4.0 4.0 6.5 0.0
GLU 15 7 6.0 1.5 4.5 0.0 0.0
GLU 16 8 7.5 4.0 3.5 0.0 0.0
PHE 17 2 17.0 5.0 5.0 7.0 0.0
LEU 18 7 14.0 5.5 5.0 3.5 0.0
SER 19 0 5.5 4.0 1.5 0.0 0.0
LYS 20 5 7.5 2.5 5.0 0.0 0.0
GLY 21 0 4.0 2.5 1.5 0.0 0.0
ASP 22 3 8.0 2.5 3.5 2.0 0.0
LEU 23 7 15.5 5.0 2.5 8.0 0.0
VAL 24 4 11.0 7.0 3.0 1.0 0.0
GLN 25 13 8.0 6.0 1.0 1.0 0.0
ALA 26 0 15.0 4.0 4.0 7.0 0.0
CYS 27 3 8.0 4.0 3.5 0.5 0.0
GLU 28 3 4.5 2.5 2.0 0.0 0.0
LYS 29 0 8.5 2.5 1.5 4.5 0.0
TYR 30 0 8.5 2.5 3.5 2.5 0.0
TYR 31 3 11.5 2.0 5.5 4.0 0.0
LYS 32 10 8.0 3.5 1.5 3.0 0.0
ALA 33 0 17.5 3.0 4.0 10.5 0.0
ALA 34 0 11.5 1.5 3.0 7.0 0.0
GLU 35 9 13.0 2.5 4.5 6.0 0.0
GLU 36 6 13.5 4.5 2.0 7.0 0.0
ALA 37 0 14.0 3.0 3.5 7.5 0.0
ILE 38 9 13.0 2.0 3.0 8.0 0.0
LYS 39 0 5.5 2.5 2.5 0.5 0.0
LEU 40 10 9.5 3.0 4.0 2.5 0.0
LEU 41 8 17.5 4.5 8.0 5.0 0.0
VAL 42 2 18.0 5.0 2.0 11.0 0.0
ILE 43 8 9.0 4.5 2.5 2.0 0.0
GLU 44 9 4.5 4.5 0.0 0.0 0.0
ASN 45 3 11.0 3.0 6.5 1.5 0.0
ASN 46 6 2.0 1.5 0.5 0.0 0.0
LEU 47 7 10.0 3.0 1.0 6.0 0.0
LYS 48 9 9.0 4.0 5.0 0.0 0.0
GLU 49 10 9.5 4.5 3.5 1.5 0.0
ILE 50 7 18.0 5.5 3.0 9.5 0.0
THR 51 3 7.0 4.0 2.5 0.5 0.0
ASN 52 0 8.5 1.5 7.0 0.0 0.0
ASN 53 4 5.0 1.5 3.0 0.5 0.0
VAL 54 2 9.5 3.5 3.0 3.0 0.0
LYS 55 7 6.5 6.0 0.5 0.0 0.0
ASN 56 3 7.0 6.0 1.0 0.0 0.0
LYS 57 10 5.0 5.0 0.0 0.0 0.0
GLY 58 0 4.0 4.0 0.0 0.0 0.0
ARG 59 4 4.5 4.5 0.0 0.0 0.0
TRP 60 4 18.0 5.0 0.0 13.0 0.0
LYS 61 6 5.5 4.0 1.5 0.0 0.0
SER 62 5 3.0 2.5 0.5 0.0 0.0
GLU 63 3 5.5 3.5 2.0 0.0 0.0
ASN 64 6 10.0 5.5 3.5 1.0 0.0
LEU 65 7 14.0 4.0 2.0 8.0 0.0
PHE 66 4 4.5 3.5 1.0 0.0 0.0
LYS 67 9 11.0 3.5 4.5 3.0 0.0
ALA 68 0 8.0 2.0 2.5 3.5 0.0
SER 69 3 8.5 2.0 2.0 4.5 0.0
LYS 70 9 6.0 4.5 1.5 0.0 0.0
LEU 71 8 9.0 5.5 2.0 1.5 0.0
LEU 72 6 10.0 3.0 2.0 5.0 0.0
ARG 73 10 5.5 3.0 2.5 0.0 0.0
SER 74 0 3.5 3.0 0.5 0.0 0.0
ASN 75 6 4.0 2.0 2.0 0.0 0.0
ASN 76 0 6.0 3.0 3.0 0.0 0.0
THR 77 3 5.5 3.0 2.5 0.0 0.0
GLU 78 9 9.5 3.0 6.5 0.0 0.0
ILE 79 4 14.0 4.5 6.0 3.5 0.0
PRO 80 0 7.5 4.5 1.5 1.5 0.0
ILE 81 10 9.5 4.0 5.5 0.0 0.0
LEU 82 8 23.0 6.0 7.0 10.0 0.0
TRP 83 2 19.0 4.0 4.0 11.0 0.0
LYS 84 8 6.5 2.0 4.5 0.0 0.0
SER 85 3 6.5 3.5 2.0 1.0 0.0
ALA 86 0 11.0 2.5 3.0 5.5 0.0
TRP 87 4 6.5 1.5 4.0 1.0 0.0
THR 88 1 7.5 2.5 4.5 0.5 0.0
LEU 89 4 9.0 3.0 2.0 4.0 0.0
HIS 90 4 5.0 4.0 1.0 0.0 0.0
VAL 91 2 8.5 4.5 4.0 0.0 0.0
GLU 92 2 3.5 2.5 1.0 0.0 0.0
GLY 93 0 1.0 1.0 0.0 0.0 0.0
PHE 94 2 3.0 3.0 0.0 0.0 0.0
HIS 95 3 3.0 3.0 0.0 0.0 0.0
GLU 96 0 1.0 1.0 0.0 0.0 0.0
LEU 97 11 4.5 4.0 0.5 0.0 0.0
SER 98 2 6.0 5.0 0.0 1.0 0.0
LEU 99 7 6.0 5.0 0.5 0.5 0.0
ASN 100 2 8.0 5.5 2.0 0.5 0.0
GLU 101 4 15.5 4.5 4.5 6.5 0.0
LYS 102 11 7.0 4.5 2.5 0.0 0.0
GLU 103 3 8.5 5.5 3.0 0.0 0.0
VAL 104 3 11.5 5.5 5.0 1.0 0.0
LYS 105 10 8.5 3.5 5.0 0.0 0.0
LYS 106 5 5.0 2.5 2.5 0.0 0.0
LEU 107 6 9.5 2.5 4.5 2.5 0.0
LYS 108 5 7.5 3.0 4.5 0.0 0.0
GLU 109 3 7.5 2.5 5.0 0.0 0.0
ASP 110 2 9.0 2.5 4.0 2.5 0.0
VAL 111 2 19.0 3.5 5.5 10.0 0.0
ARG 112 4 11.5 3.0 6.5 2.0 0.0
LYS 113 9 9.0 2.0 2.5 4.5 0.0
LEU 114 9 17.5 4.5 4.5 8.5 0.0
VAL 115 3 19.0 4.5 5.5 9.0 0.0
ILE 116 10 11.5 5.0 6.5 0.0 0.0
PHE 117 2 13.5 6.0 4.5 3.0 0.0
ALA 118 0 12.0 2.5 4.5 5.0 0.0
VAL 119 4 8.0 3.0 3.5 1.5 0.0
ASN 120 3 9.0 4.5 4.5 0.0 0.0
SER 121 2 7.5 5.0 2.5 0.0 0.0
LEU 122 4 7.5 5.0 1.5 1.0 0.0
GLU 123 5 3.5 3.0 0.5 0.0 0.0
HIS 124 5 1.0 1.0 0.0 0.0 0.0
HIS 125 5 0.5 0.5 0.0 0.0 0.0
HIS 126 3 0.5 0.5 0.0 0.0 0.0
HIS 127 0 0.0 0.0 0.0 0.0 0.0
HIS 128 0 0.0 0.0 0.0 0.0 0.0
HIS 129 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 542 1119.0 444.0 362.0 313.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 1661.0
List of conformationally-resticting NOE constraints
assign ((resid 4 and name HN )) ( (resid 5 and name HN )) 2.66 0.86 0.86
assign ((resid 6 and name HB2 )) ( (resid 7 and name HN )) 3.43 1.63 1.63
assign ((resid 6 and name HB1 )) ( (resid 7 and name HN )) 3.43 1.63 1.63
assign ((resid 7 and name HN )) ( (resid 8 and name HN )) 2.82 1.02 1.02
assign ((resid 9 and name HB )) ( (resid 10 and name HN )) 2.42 0.63 0.63
assign ((resid 10 and name HN )) ( (resid 11 and name HN )) 2.82 1.02 1.02
assign ((resid 10 and name HB1 )) ( (resid 11 and name HN )) 3.02 1.22 1.22
assign ((resid 10 and name HB2 )) ( (resid 11 and name HN )) 2.94 1.15 1.15
assign ((resid 11 and name HN )) ( (resid 12 and name HN )) 2.60 0.81 0.81
assign ((resid 11 and name HB2 )) ( (resid 12 and name HN )) 3.00 1.20 1.20
assign ((resid 11 and name HB1 )) ( (resid 12 and name HN )) 2.71 0.91 0.91
assign ((resid 12 and name HB2 )) ( (resid 13 and name HN )) 2.94 1.15 1.15
assign ((resid 12 and name HB1 )) ( (resid 13 and name HN )) 2.94 1.15 1.15
assign ((resid 13 and name HN )) ( (resid 14 and name HN )) 2.75 0.95 0.95
assign ((resid 13 and name HB2 )) ( (resid 14 and name HN )) 2.78 0.99 0.99
assign ((resid 13 and name HB1 )) ( (resid 14 and name HN )) 2.78 0.99 0.99
assign ((resid 14 and name HN )) ( (resid 15 and name HN )) 2.62 0.82 0.82
assign ((resid 16 and name HA )) ( (resid 17 and name HN )) 2.62 0.82 0.82
assign ((resid 17 and name HB2 )) ( (resid 18 and name HN )) 2.89 1.09 1.09
assign ((resid 17 and name HB1 )) ( (resid 18 and name HN )) 3.05 1.26 1.26
assign ((resid 18 and name HN )) ( (resid 19 and name HN )) 2.62 0.82 0.82
assign ((resid 18 and name HB2 )) ( (resid 19 and name HN )) 2.91 1.11 1.11
assign ((resid 18 and name HB1 )) ( (resid 19 and name HN )) 2.91 1.11 1.11
assign ((resid 19 and name HN )) ( (resid 20 and name HN )) 2.57 0.77 0.77
assign ((resid 20 and name HB2 )) ( (resid 21 and name HN )) 3.52 1.72 1.72
assign ((resid 20 and name HB1 )) ( (resid 21 and name HN )) 3.52 1.72 1.72
assign ((resid 22 and name HB2 )) ( (resid 23 and name HN )) 3.90 2.10 2.10
assign ((resid 22 and name HB1 )) ( (resid 23 and name HN )) 3.90 2.10 2.10
assign ((resid 23 and name HB2 )) ( (resid 24 and name HN )) 2.82 1.02 1.02
assign ((resid 24 and name HN )) ( (resid 25 and name HN )) 2.55 0.75 0.75
assign ((resid 25 and name HN )) ( (resid 26 and name HN )) 2.53 0.73 0.73
assign ((resid 25 and name HB1 )) ( (resid 26 and name HN )) 3.03 1.24 1.24
assign ((resid 25 and name HB2 )) ( (resid 26 and name HN )) 2.76 0.97 0.97
assign ((resid 27 and name HN )) ( (resid 28 and name HN )) 2.75 0.95 0.95
assign ((resid 27 and name HB2 )) ( (resid 28 and name HN )) 3.07 1.27 1.27
assign ((resid 27 and name HB1 )) ( (resid 28 and name HN )) 3.07 1.27 1.27
assign ((resid 28 and name HN )) ( (resid 29 and name HN )) 2.66 0.86 0.86
assign ((resid 29 and name HN )) ( (resid 30 and name HN )) 2.66 0.86 0.86
assign ((resid 29 and name HB2 )) ( (resid 30 and name HN )) 3.20 1.40 1.40
assign ((resid 29 and name HB1 )) ( (resid 30 and name HN )) 3.20 1.40 1.40
assign ((resid 32 and name HN )) ( (resid 33 and name HN )) 2.66 0.86 0.86
assign ((resid 32 and name HB2 )) ( (resid 33 and name HN )) 2.96 1.17 1.17
assign ((resid 35 and name HN )) ( (resid 36 and name HN )) 2.66 0.86 0.86
assign ((resid 35 and name HB1 )) ( (resid 36 and name HN )) 2.85 1.06 1.06
assign ((resid 36 and name HN )) ( (resid 36 and name HB1 )) 2.84 1.04 1.04
assign ((resid 36 and name HB2 )) ( (resid 37 and name HN )) 3.27 1.47 1.47
assign ((resid 36 and name HB1 )) ( (resid 37 and name HN )) 3.27 1.47 1.47
assign ((resid 37 and name HN )) ( (resid 38 and name HN )) 2.64 0.84 0.84
assign ((resid 38 and name HN )) ( (resid 39 and name HN )) 2.62 0.82 0.82
assign ((resid 41 and name HB2 )) ( (resid 42 and name HN )) 3.07 1.27 1.27
assign ((resid 41 and name HB1 )) ( (resid 42 and name HN )) 3.07 1.27 1.27
assign ((resid 42 and name HN )) ( (resid 43 and name HN )) 2.67 0.88 0.88
assign ((resid 43 and name HN )) ( (resid 44 and name HN )) 2.66 0.86 0.86
assign ((resid 44 and name HN )) ( (resid 45 and name HN )) 2.75 0.95 0.95
assign ((resid 44 and name HB2 )) ( (resid 45 and name HN )) 3.05 1.26 1.26
assign ((resid 44 and name HB1 )) ( (resid 45 and name HN )) 3.05 1.26 1.26
assign ((resid 46 and name HN )) ( (resid 47 and name HN )) 2.71 0.91 0.91
assign ((resid 47 and name HA )) ( (resid 48 and name HN )) 2.37 0.57 0.57
assign ((resid 47 and name HB2 )) ( (resid 48 and name HN )) 3.09 1.29 1.29
assign ((resid 49 and name HB2 )) ( (resid 50 and name HN )) 3.29 1.49 1.49
assign ((resid 49 and name HB1 )) ( (resid 50 and name HN )) 3.29 1.49 1.49
assign ((resid 50 and name HN )) ( (resid 51 and name HN )) 2.48 0.68 0.68
assign ((resid 51 and name HN )) ( (resid 52 and name HN )) 2.64 0.84 0.84
assign ((resid 51 and name HB )) ( (resid 52 and name HN )) 2.94 1.15 1.15
assign ((resid 53 and name HB2 )) ( (resid 54 and name HN )) 2.94 1.15 1.15
assign ((resid 53 and name HB1 )) ( (resid 54 and name HN )) 2.94 1.15 1.15
assign ((resid 54 and name HN )) ( (resid 55 and name HN )) 2.66 0.86 0.86
assign ((resid 55 and name HB2 )) ( (resid 56 and name HN )) 2.84 1.04 1.04
assign ((resid 55 and name HB1 )) ( (resid 56 and name HN )) 2.84 1.04 1.04
assign ((resid 56 and name HN )) ( (resid 57 and name HN )) 2.62 0.82 0.82
assign ((resid 57 and name HB2 )) ( (resid 58 and name HN )) 3.16 1.36 1.36
assign ((resid 57 and name HB1 )) ( (resid 58 and name HN )) 3.16 1.36 1.36
assign ((resid 60 and name HN )) ( (resid 61 and name HN )) 3.18 1.38 1.38
assign ((resid 60 and name HB2 )) ( (resid 61 and name HN )) 3.00 1.20 1.20
assign ((resid 60 and name HB1 )) ( (resid 61 and name HN )) 3.12 1.33 1.33
assign ((resid 61 and name HA )) ( (resid 62 and name HN )) 2.60 0.81 0.81
assign ((resid 61 and name HB2 )) ( (resid 62 and name HN )) 3.29 1.49 1.49
assign ((resid 61 and name HB1 )) ( (resid 62 and name HN )) 3.29 1.49 1.49
assign ((resid 63 and name HN )) ( (resid 64 and name HN )) 2.82 1.02 1.02
assign ((resid 64 and name HB2 )) ( (resid 65 and name HN )) 3.14 1.35 1.35
assign ((resid 64 and name HB1 )) ( (resid 65 and name HN )) 3.14 1.35 1.35
assign ((resid 65 and name HN )) ( (resid 66 and name HN )) 2.69 0.90 0.90
assign ((resid 65 and name HB2 )) ( (resid 66 and name HN )) 2.89 1.09 1.09
assign ((resid 65 and name HB1 )) ( (resid 66 and name HN )) 3.05 1.26 1.26
assign ((resid 66 and name HN )) ( (resid 67 and name HN )) 2.69 0.90 0.90
assign ((resid 66 and name HB2 )) ( (resid 67 and name HN )) 3.03 1.24 1.24
assign ((resid 66 and name HB1 )) ( (resid 67 and name HN )) 3.03 1.24 1.24
assign ((resid 68 and name HN )) ( (resid 69 and name HN )) 2.66 0.86 0.86
assign ((resid 71 and name HB2 )) ( (resid 72 and name HN )) 2.96 1.17 1.17
assign ((resid 72 and name HN )) ( (resid 73 and name HN )) 2.69 0.90 0.90
assign ((resid 73 and name HN )) ( (resid 74 and name HN )) 2.62 0.82 0.82
assign ((resid 73 and name HB2 )) ( (resid 74 and name HN )) 3.12 1.33 1.33
assign ((resid 75 and name HN )) ( (resid 76 and name HN )) 2.39 0.59 0.59
assign ((resid 77 and name HN )) ( (resid 78 and name HN )) 2.67 0.88 0.88
assign ((resid 78 and name HN )) ( (resid 79 and name HN )) 2.58 0.79 0.79
assign ((resid 78 and name HB2 )) ( (resid 79 and name HN )) 2.80 1.00 1.00
assign ((resid 78 and name HB1 )) ( (resid 79 and name HN )) 2.94 1.15 1.15
assign ((resid 82 and name HB2 )) ( (resid 83 and name HN )) 3.09 1.29 1.29
assign ((resid 82 and name HB1 )) ( (resid 83 and name HN )) 3.09 1.29 1.29
assign ((resid 83 and name HN )) ( (resid 84 and name HN )) 2.64 0.84 0.84
assign ((resid 85 and name HB2 )) ( (resid 86 and name HN )) 2.98 1.18 1.18
assign ((resid 85 and name HB1 )) ( (resid 86 and name HN )) 2.98 1.18 1.18
assign ((resid 87 and name HN )) ( (resid 88 and name HN )) 2.75 0.95 0.95
assign ((resid 87 and name HB2 )) ( (resid 88 and name HN )) 3.25 1.45 1.45
assign ((resid 88 and name HB )) ( (resid 89 and name HN )) 2.78 0.99 0.99
assign ((resid 89 and name HN )) ( (resid 90 and name HN )) 2.73 0.93 0.93
assign ((resid 89 and name HB2 )) ( (resid 90 and name HN )) 2.91 1.11 1.11
assign ((resid 89 and name HB1 )) ( (resid 90 and name HN )) 3.21 1.42 1.42
assign ((resid 90 and name HB2 )) ( (resid 91 and name HN )) 3.20 1.40 1.40
assign ((resid 90 and name HB1 )) ( (resid 91 and name HN )) 3.20 1.40 1.40
assign ((resid 92 and name HN )) ( (resid 93 and name HN )) 2.75 0.95 0.95
assign ((resid 94 and name HN )) ( (resid 95 and name HN )) 2.64 0.84 0.84
assign ((resid 97 and name HB2 )) ( (resid 98 and name HN )) 3.34 1.54 1.54
assign ((resid 97 and name HB1 )) ( (resid 98 and name HN )) 3.34 1.54 1.54
assign ((resid 98 and name HB2 )) ( (resid 99 and name HN )) 3.25 1.45 1.45
assign ((resid 98 and name HB1 )) ( (resid 99 and name HN )) 3.25 1.45 1.45
assign ((resid 99 and name HN )) ( (resid 100 and name HN )) 3.57 1.78 1.78
assign ((resid 99 and name HB2 )) ( (resid 100 and name HN )) 3.34 1.54 1.54
assign ((resid 99 and name HB1 )) ( (resid 100 and name HN )) 3.09 1.29 1.29
assign ((resid 100 and name HA )) ( (resid 101 and name HN )) 2.53 0.73 0.73
assign ((resid 101 and name HN )) ( (resid 102 and name HN )) 2.69 0.90 0.90
assign ((resid 102 and name HN )) ( (resid 103 and name HN )) 2.51 0.72 0.72
assign ((resid 104 and name HN )) ( (resid 105 and name HN )) 2.62 0.82 0.82
assign ((resid 104 and name HB )) ( (resid 105 and name HN )) 2.60 0.81 0.81
assign ((resid 105 and name HN )) ( (resid 106 and name HN )) 2.58 0.79 0.79
assign ((resid 105 and name HB* )) ( (resid 106 and name HN )) 3.10 1.30 1.30
assign ((resid 106 and name HN )) ( (resid 107 and name HN )) 2.62 0.82 0.82
assign ((resid 110 and name HB2 )) ( (resid 111 and name HN )) 3.11 1.31 1.31
assign ((resid 110 and name HB1 )) ( (resid 111 and name HN )) 3.41 1.62 1.62
assign ((resid 111 and name HN )) ( (resid 112 and name HN )) 2.66 0.86 0.86
assign ((resid 111 and name HB )) ( (resid 112 and name HN )) 2.71 0.91 0.91
assign ((resid 114 and name HN )) ( (resid 115 and name HN )) 2.55 0.75 0.75
assign ((resid 113 and name HB2 )) ( (resid 114 and name HN )) 2.57 0.77 0.77
assign ((resid 113 and name HB1 )) ( (resid 114 and name HN )) 2.85 1.06 1.06
assign ((resid 114 and name HB1 )) ( (resid 115 and name HN )) 2.89 1.09 1.09
assign ((resid 115 and name HB )) ( (resid 116 and name HN )) 2.60 0.81 0.81
assign ((resid 116 and name HN )) ( (resid 117 and name HN )) 2.53 0.73 0.73
assign ((resid 116 and name HB )) ( (resid 117 and name HN )) 2.37 0.57 0.57
assign ((resid 119 and name HB )) ( (resid 120 and name HN )) 2.62 0.82 0.82
assign ((resid 120 and name HN )) ( (resid 121 and name HN )) 2.57 0.77 0.77
assign ((resid 120 and name HB2 )) ( (resid 121 and name HN )) 2.93 1.13 1.13
assign ((resid 120 and name HB1 )) ( (resid 121 and name HN )) 2.93 1.13 1.13
assign ((resid 121 and name HB2 )) ( (resid 122 and name HN )) 3.11 1.31 1.31
assign ((resid 121 and name HB1 )) ( (resid 122 and name HN )) 3.11 1.31 1.31
assign ((resid 123 and name HN )) ( (resid 124 and name HN )) 2.58 0.79 0.79
assign ((resid 123 and name HA )) ( (resid 124 and name HN )) 2.55 0.75 0.75
assign ((resid 125 and name HN )) ( (resid 126 and name HN )) 2.75 0.95 0.95
assign ((resid 10 and name HN )) ( (resid 10 and name HB1 )) 2.82 1.02 1.02
assign ((resid 10 and name HN )) ( (resid 10 and name HB2 )) 2.66 0.86 0.86
assign ((resid 11 and name HN )) ( (resid 11 and name HB2 )) 2.58 0.79 0.79
assign ((resid 11 and name HN )) ( (resid 11 and name HB1 )) 2.66 0.86 0.86
assign ((resid 13 and name HN )) ( (resid 13 and name HB2 )) 2.82 1.02 1.02
assign ((resid 13 and name HN )) ( (resid 13 and name HB1 )) 2.82 1.02 1.02
assign ((resid 15 and name HN )) ( (resid 15 and name HB2 )) 2.80 1.00 1.00
assign ((resid 17 and name HN )) ( (resid 17 and name HB2 )) 2.58 0.79 0.79
assign ((resid 17 and name HN )) ( (resid 17 and name HB1 )) 2.73 0.93 0.93
assign ((resid 18 and name HN )) ( (resid 18 and name HB2 )) 2.73 0.93 0.93
assign ((resid 18 and name HN )) ( (resid 18 and name HB1 )) 2.73 0.93 0.93
assign ((resid 20 and name HN )) ( (resid 20 and name HB1 )) 2.64 0.84 0.84
assign ((resid 22 and name HN )) ( (resid 22 and name HB2 )) 2.60 0.81 0.81
assign ((resid 23 and name HN )) ( (resid 23 and name HB2 )) 2.55 0.75 0.75
assign ((resid 25 and name HN )) ( (resid 25 and name HB1 )) 2.76 0.97 0.97
assign ((resid 25 and name HN )) ( (resid 25 and name HB2 )) 2.58 0.79 0.79
assign ((resid 27 and name HN )) ( (resid 27 and name HB2 )) 2.80 1.00 1.00
assign ((resid 31 and name HN )) ( (resid 31 and name HB2 )) 2.64 0.84 0.84
assign ((resid 31 and name HN )) ( (resid 31 and name HB1 )) 2.64 0.84 0.84
assign ((resid 32 and name HN )) ( (resid 32 and name HB2 )) 2.76 0.97 0.97
assign ((resid 35 and name HN )) ( (resid 35 and name HB2 )) 2.87 1.08 1.08
assign ((resid 36 and name HN )) ( (resid 36 and name HB2 )) 2.84 1.04 1.04
assign ((resid 40 and name HN )) ( (resid 40 and name HB2 )) 2.49 0.70 0.70
assign ((resid 41 and name HN )) ( (resid 41 and name HB2 )) 2.93 1.13 1.13
assign ((resid 44 and name HN )) ( (resid 44 and name HB1 )) 2.82 1.02 1.02
assign ((resid 45 and name HN )) ( (resid 45 and name HB1 )) 2.67 0.88 0.88
assign ((resid 47 and name HN )) ( (resid 47 and name HB2 )) 2.55 0.75 0.75
assign ((resid 47 and name HN )) ( (resid 47 and name HB1 )) 2.67 0.88 0.88
assign ((resid 55 and name HN )) ( (resid 55 and name HB1 )) 2.53 0.73 0.73
assign ((resid 57 and name HN )) ( (resid 57 and name HB1 )) 2.51 0.72 0.72
assign ((resid 59 and name HN )) ( (resid 59 and name HB2 )) 2.64 0.84 0.84
assign ((resid 60 and name HN )) ( (resid 60 and name HB2 )) 2.78 0.99 0.99
assign ((resid 60 and name HN )) ( (resid 60 and name HB1 )) 2.84 1.04 1.04
assign ((resid 65 and name HN )) ( (resid 65 and name HB2 )) 2.67 0.88 0.88
assign ((resid 65 and name HN )) ( (resid 65 and name HB1 )) 2.87 1.08 1.08
assign ((resid 66 and name HN )) ( (resid 66 and name HB1 )) 2.84 1.04 1.04
assign ((resid 67 and name HN )) ( (resid 67 and name HB2 )) 2.48 0.68 0.68
assign ((resid 69 and name HN )) ( (resid 69 and name HB2 )) 2.84 1.04 1.04
assign ((resid 69 and name HN )) ( (resid 69 and name HB1 )) 2.84 1.04 1.04
assign ((resid 79 and name HN )) ( (resid 79 and name HB )) 2.58 0.79 0.79
assign ((resid 82 and name HN )) ( (resid 82 and name HB2 )) 2.93 1.13 1.13
assign ((resid 82 and name HN )) ( (resid 82 and name HB1 )) 2.93 1.13 1.13
assign ((resid 85 and name HN )) ( (resid 85 and name HB2 )) 2.93 1.13 1.13
assign ((resid 85 and name HN )) ( (resid 85 and name HB1 )) 2.93 1.13 1.13
assign ((resid 87 and name HN )) ( (resid 87 and name HB2 )) 2.67 0.88 0.88
assign ((resid 87 and name HN )) ( (resid 87 and name HB1 )) 2.64 0.84 0.84
assign ((resid 88 and name HN )) ( (resid 88 and name HB )) 2.58 0.79 0.79
assign ((resid 89 and name HN )) ( (resid 89 and name HB2 )) 2.69 0.90 0.90
assign ((resid 89 and name HN )) ( (resid 89 and name HB1 )) 2.82 1.02 1.02
assign ((resid 90 and name HN )) ( (resid 90 and name HB2 )) 2.69 0.90 0.90
assign ((resid 90 and name HN )) ( (resid 90 and name HB1 )) 2.69 0.90 0.90
assign ((resid 95 and name HN )) ( (resid 95 and name HB2 )) 2.93 1.13 1.13
assign ((resid 95 and name HN )) ( (resid 95 and name HB1 )) 2.93 1.13 1.13
assign ((resid 98 and name HN )) ( (resid 98 and name HB2 )) 2.96 1.17 1.17
assign ((resid 98 and name HN )) ( (resid 98 and name HB1 )) 2.96 1.17 1.17
assign ((resid 99 and name HN )) ( (resid 99 and name HB2 )) 2.64 0.84 0.84
assign ((resid 100 and name HN )) ( (resid 100 and name HB2 )) 2.87 1.08 1.08
assign ((resid 100 and name HN )) ( (resid 100 and name HB1 )) 2.87 1.08 1.08
assign ((resid 102 and name HN )) ( (resid 102 and name HB1 )) 2.46 0.66 0.66
assign ((resid 104 and name HN )) ( (resid 104 and name HB )) 2.48 0.68 0.68
assign ((resid 107 and name HN )) ( (resid 107 and name HB1 )) 2.84 1.04 1.04
assign ((resid 108 and name HN )) ( (resid 108 and name HB2 )) 3.00 1.20 1.20
assign ((resid 108 and name HN )) ( (resid 108 and name HB1 )) 3.00 1.20 1.20
assign ((resid 110 and name HN )) ( (resid 110 and name HB2 )) 2.64 0.84 0.84
assign ((resid 110 and name HN )) ( (resid 110 and name HB1 )) 2.78 0.99 0.99
assign ((resid 112 and name HN )) ( (resid 112 and name HB2 )) 2.60 0.81 0.81
assign ((resid 112 and name HN )) ( (resid 112 and name HB1 )) 2.60 0.81 0.81
assign ((resid 113 and name HN )) ( (resid 113 and name HB1 )) 2.64 0.84 0.84
assign ((resid 119 and name HN )) ( (resid 119 and name HB )) 2.49 0.70 0.70
assign ((resid 121 and name HN )) ( (resid 121 and name HB2 )) 2.62 0.82 0.82
assign ((resid 124 and name HN )) ( (resid 124 and name HB1 )) 2.73 0.93 0.93
assign ((resid 125 and name HN )) ( (resid 125 and name HB2 )) 2.73 0.93 0.93
assign ((resid 125 and name HN )) ( (resid 125 and name HB1 )) 2.73 0.93 0.93
assign ((resid 126 and name HN )) ( (resid 126 and name HB2 )) 2.89 1.09 1.09
assign ((resid 126 and name HN )) ( (resid 126 and name HB1 )) 2.89 1.09 1.09
assign ((resid 5 and name HN )) ( (resid 6 and name HN )) 3.30 1.51 1.51
assign ((resid 6 and name HN )) ( (resid 7 and name HN )) 2.78 0.99 0.99
assign ((resid 8 and name HN )) ( (resid 9 and name HN )) 2.58 0.79 0.79
assign ((resid 9 and name HN )) ( (resid 10 and name HN )) 2.64 0.84 0.84
assign ((resid 15 and name HN )) ( (resid 16 and name HN )) 2.64 0.84 0.84
assign ((resid 16 and name HN )) ( (resid 17 and name HN )) 2.57 0.77 0.77
assign ((resid 17 and name HN )) ( (resid 18 and name HN )) 2.62 0.82 0.82
assign ((resid 20 and name HN )) ( (resid 21 and name HN )) 2.49 0.70 0.70
assign ((resid 21 and name HN )) ( (resid 22 and name HN )) 2.55 0.75 0.75
assign ((resid 22 and name HN )) ( (resid 23 and name HN )) 3.09 1.29 1.29
assign ((resid 23 and name HN )) ( (resid 24 and name HN )) 2.55 0.75 0.75
assign ((resid 26 and name HN )) ( (resid 27 and name HN )) 2.69 0.90 0.90
assign ((resid 30 and name HN )) ( (resid 31 and name HN )) 2.71 0.91 0.91
assign ((resid 31 and name HN )) ( (resid 32 and name HN )) 2.80 1.00 1.00
assign ((resid 33 and name HN )) ( (resid 34 and name HN )) 2.64 0.84 0.84
assign ((resid 34 and name HN )) ( (resid 35 and name HN )) 2.64 0.84 0.84
assign ((resid 36 and name HN )) ( (resid 37 and name HN )) 2.78 0.99 0.99
assign ((resid 39 and name HN )) ( (resid 40 and name HN )) 2.76 0.97 0.97
assign ((resid 40 and name HN )) ( (resid 41 and name HN )) 2.51 0.72 0.72
assign ((resid 41 and name HN )) ( (resid 42 and name HN )) 2.64 0.84 0.84
assign ((resid 45 and name HN )) ( (resid 46 and name HN )) 2.55 0.75 0.75
assign ((resid 47 and name HN )) ( (resid 48 and name HN )) 2.98 1.18 1.18
assign ((resid 48 and name HN )) ( (resid 49 and name HN )) 2.69 0.90 0.90
assign ((resid 49 and name HN )) ( (resid 50 and name HN )) 2.67 0.88 0.88
assign ((resid 52 and name HN )) ( (resid 53 and name HN )) 2.57 0.77 0.77
assign ((resid 58 and name HN )) ( (resid 59 and name HN )) 2.57 0.77 0.77
assign ((resid 59 and name HN )) ( (resid 60 and name HN )) 3.03 1.24 1.24
assign ((resid 62 and name HN )) ( (resid 63 and name HN )) 3.14 1.35 1.35
assign ((resid 64 and name HN )) ( (resid 65 and name HN )) 2.66 0.86 0.86
assign ((resid 67 and name HN )) ( (resid 68 and name HN )) 2.60 0.81 0.81
assign ((resid 69 and name HN )) ( (resid 70 and name HN )) 2.75 0.95 0.95
assign ((resid 70 and name HN )) ( (resid 71 and name HN )) 2.55 0.75 0.75
assign ((resid 74 and name HN )) ( (resid 75 and name HN )) 2.62 0.82 0.82
assign ((resid 76 and name HN )) ( (resid 77 and name HN )) 3.09 1.29 1.29
assign ((resid 81 and name HN )) ( (resid 82 and name HN )) 2.51 0.72 0.72
assign ((resid 82 and name HN )) ( (resid 83 and name HN )) 2.73 0.93 0.93
assign ((resid 84 and name HN )) ( (resid 85 and name HN )) 2.62 0.82 0.82
assign ((resid 85 and name HN )) ( (resid 86 and name HN )) 2.62 0.82 0.82
assign ((resid 88 and name HN )) ( (resid 89 and name HN )) 2.78 0.99 0.99
assign ((resid 90 and name HN )) ( (resid 91 and name HN )) 2.75 0.95 0.95
assign ((resid 91 and name HN )) ( (resid 92 and name HN )) 2.73 0.93 0.93
assign ((resid 93 and name HN )) ( (resid 94 and name HN )) 2.85 1.06 1.06
assign ((resid 95 and name HN )) ( (resid 96 and name HN )) 2.80 1.00 1.00
assign ((resid 97 and name HN )) ( (resid 98 and name HN )) 2.91 1.11 1.11
assign ((resid 100 and name HN )) ( (resid 101 and name HN )) 3.48 1.69 1.69
assign ((resid 103 and name HN )) ( (resid 104 and name HN )) 2.58 0.79 0.79
assign ((resid 107 and name HN )) ( (resid 108 and name HN )) 2.66 0.86 0.86
assign ((resid 108 and name HN )) ( (resid 109 and name HN )) 2.71 0.91 0.91
assign ((resid 110 and name HN )) ( (resid 111 and name HN )) 2.60 0.81 0.81
assign ((resid 112 and name HN )) ( (resid 113 and name HN )) 2.73 0.93 0.93
assign ((resid 117 and name HN )) ( (resid 118 and name HN )) 2.58 0.79 0.79
assign ((resid 118 and name HN )) ( (resid 119 and name HN )) 2.60 0.81 0.81
assign ((resid 119 and name HN )) ( (resid 120 and name HN )) 2.67 0.88 0.88
assign ((resid 121 and name HN )) ( (resid 122 and name HN )) 2.58 0.79 0.79
assign ((resid 122 and name HN )) ( (resid 123 and name HN )) 2.57 0.77 0.77
assign ((resid 6 and name HA )) ( (resid 9 and name HN )) 2.93 1.13 1.13
assign ((resid 8 and name HA )) ( (resid 10 and name HN )) 3.50 1.71 1.71
assign ((resid 7 and name HA )) ( (resid 10 and name HN )) 3.07 1.27 1.27
assign ((resid 6 and name HA )) ( (resid 10 and name HN )) 3.52 1.72 1.72
assign ((resid 10 and name HN )) ( (resid 12 and name HN )) 3.34 1.54 1.54
assign ((resid 11 and name HN )) ( (resid 33 and name HA )) 3.30 1.51 1.51
assign ((resid 10 and name HA )) ( (resid 12 and name HN )) 3.43 1.63 1.63
assign ((resid 10 and name HA )) ( (resid 13 and name HN )) 3.05 1.26 1.26
assign ((resid 9 and name HA )) ( (resid 13 and name HN )) 3.39 1.60 1.60
assign ((resid 10 and name HA )) ( (resid 14 and name HN )) 3.32 1.53 1.53
assign ((resid 14 and name HN )) ( (resid 16 and name HN )) 3.18 1.38 1.38
assign ((resid 13 and name HA )) ( (resid 16 and name HN )) 2.98 1.18 1.18
assign ((resid 16 and name HN )) ( (resid 18 and name HN )) 3.30 1.51 1.51
assign ((resid 14 and name HA )) ( (resid 17 and name HN )) 2.91 1.11 1.11
assign ((resid 13 and name HA )) ( (resid 17 and name HN )) 2.89 1.09 1.09
assign ((resid 16 and name HA )) ( (resid 18 and name HN )) 3.16 1.36 1.36
assign ((resid 14 and name HA )) ( (resid 18 and name HN )) 3.50 1.71 1.71
assign ((resid 24 and name HN )) ( (resid 26 and name HN )) 3.00 1.20 1.20
assign ((resid 25 and name HN )) ( (resid 27 and name HN )) 3.38 1.58 1.58
assign ((resid 24 and name HA )) ( (resid 26 and name HN )) 3.56 1.76 1.76
assign ((resid 23 and name HA )) ( (resid 26 and name HN )) 2.89 1.09 1.09
assign ((resid 24 and name HA )) ( (resid 27 and name HN )) 3.16 1.36 1.36
assign ((resid 23 and name HA )) ( (resid 27 and name HN )) 3.30 1.51 1.51
assign ((resid 25 and name HA )) ( (resid 28 and name HN )) 3.00 1.20 1.20
assign ((resid 24 and name HA )) ( (resid 28 and name HN )) 3.75 1.96 1.96
assign ((resid 28 and name HN )) ( (resid 30 and name HN )) 3.72 1.92 1.92
assign ((resid 26 and name HA )) ( (resid 29 and name HN )) 3.07 1.27 1.27
assign ((resid 28 and name HA )) ( (resid 31 and name HN )) 2.71 0.91 0.91
assign ((resid 31 and name HA )) ( (resid 33 and name HN )) 3.43 1.63 1.63
assign ((resid 29 and name HA )) ( (resid 33 and name HN )) 3.38 1.58 1.58
assign ((resid 33 and name HN )) ( (resid 35 and name HN )) 3.59 1.80 1.80
assign ((resid 32 and name HA )) ( (resid 35 and name HN )) 2.94 1.15 1.15
assign ((resid 33 and name HA )) ( (resid 36 and name HN )) 3.03 1.24 1.24
assign ((resid 32 and name HA )) ( (resid 36 and name HN )) 3.36 1.56 1.56
assign ((resid 34 and name HA )) ( (resid 37 and name HN )) 2.91 1.11 1.11
assign ((resid 7 and name HA )) ( (resid 37 and name HN )) 3.48 1.69 1.69
assign ((resid 35 and name HA )) ( (resid 38 and name HN )) 3.27 1.47 1.47
assign ((resid 36 and name HA )) ( (resid 39 and name HN )) 2.94 1.15 1.15
assign ((resid 38 and name HA )) ( (resid 41 and name HN )) 2.67 0.88 0.88
assign ((resid 39 and name HA )) ( (resid 42 and name HN )) 3.11 1.31 1.31
assign ((resid 40 and name HA )) ( (resid 43 and name HN )) 3.02 1.22 1.22
assign ((resid 39 and name HA )) ( (resid 43 and name HN )) 3.50 1.71 1.71
assign ((resid 63 and name HA )) ( (resid 65 and name HN )) 3.02 1.22 1.22
assign ((resid 65 and name HN )) ( (resid 67 and name HN )) 3.66 1.87 1.87
assign ((resid 63 and name HA )) ( (resid 66 and name HN )) 2.87 1.08 1.08
assign ((resid 64 and name HA )) ( (resid 67 and name HN )) 2.91 1.11 1.11
assign ((resid 63 and name HA )) ( (resid 67 and name HN )) 3.65 1.85 1.85
assign ((resid 64 and name HA )) ( (resid 68 and name HN )) 3.16 1.36 1.36
assign ((resid 67 and name HA )) ( (resid 69 and name HN )) 3.83 2.03 2.03
assign ((resid 69 and name HN )) ( (resid 71 and name HN )) 3.21 1.42 1.42
assign ((resid 67 and name HA )) ( (resid 70 and name HN )) 3.30 1.51 1.51
assign ((resid 68 and name HA )) ( (resid 71 and name HN )) 3.09 1.29 1.29
assign ((resid 79 and name HA )) ( (resid 81 and name HN )) 3.59 1.80 1.80
assign ((resid 81 and name HN )) ( (resid 83 and name HN )) 3.30 1.51 1.51
assign ((resid 79 and name HA )) ( (resid 82 and name HN )) 3.07 1.27 1.27
assign ((resid 81 and name HA )) ( (resid 83 and name HN )) 3.61 1.81 1.81
assign ((resid 80 and name HA )) ( (resid 83 and name HN )) 3.07 1.27 1.27
assign ((resid 79 and name HA )) ( (resid 83 and name HN )) 3.29 1.49 1.49
assign ((resid 82 and name HA )) ( (resid 84 and name HN )) 3.61 1.81 1.81
assign ((resid 82 and name HN )) ( (resid 84 and name HN )) 3.36 1.56 1.56
assign ((resid 80 and name HA )) ( (resid 84 and name HN )) 3.34 1.54 1.54
assign ((resid 82 and name HA )) ( (resid 85 and name HN )) 3.11 1.31 1.31
assign ((resid 83 and name HA )) ( (resid 86 and name HN )) 2.85 1.06 1.06
assign ((resid 86 and name HN )) ( (resid 88 and name HN )) 3.90 2.10 2.10
assign ((resid 84 and name HA )) ( (resid 87 and name HN )) 3.00 1.20 1.20
assign ((resid 83 and name HA )) ( (resid 87 and name HN )) 3.09 1.29 1.29
assign ((resid 85 and name HA )) ( (resid 88 and name HN )) 3.38 1.58 1.58
assign ((resid 84 and name HA )) ( (resid 88 and name HN )) 3.38 1.58 1.58
assign ((resid 86 and name HA )) ( (resid 89 and name HN )) 3.09 1.29 1.29
assign ((resid 89 and name HN )) ( (resid 91 and name HN )) 3.90 2.10 2.10
assign ((resid 101 and name HA )) ( (resid 103 and name HN )) 3.88 2.08 2.08
assign ((resid 103 and name HN )) ( (resid 105 and name HN )) 3.20 1.40 1.40
assign ((resid 103 and name HA )) ( (resid 105 and name HN )) 3.43 1.63 1.63
assign ((resid 102 and name HA )) ( (resid 105 and name HN )) 2.96 1.17 1.17
assign ((resid 101 and name HA )) ( (resid 105 and name HN )) 3.20 1.40 1.40
assign ((resid 106 and name HN )) ( (resid 108 and name HN )) 3.70 1.90 1.90
assign ((resid 104 and name HA )) ( (resid 107 and name HN )) 3.11 1.31 1.31
assign ((resid 104 and name HA )) ( (resid 108 and name HN )) 3.86 2.07 2.07
assign ((resid 107 and name HN )) ( (resid 109 and name HN )) 3.36 1.56 1.56
assign ((resid 105 and name HA )) ( (resid 109 and name HN )) 3.66 1.87 1.87
assign ((resid 108 and name HA )) ( (resid 110 and name HN )) 3.43 1.63 1.63
assign ((resid 107 and name HA )) ( (resid 110 and name HN )) 2.94 1.15 1.15
assign ((resid 110 and name HN )) ( (resid 112 and name HN )) 3.32 1.53 1.53
assign ((resid 108 and name HA )) ( (resid 111 and name HN )) 2.87 1.08 1.08
assign ((resid 108 and name HA )) ( (resid 112 and name HN )) 3.36 1.56 1.56
assign ((resid 112 and name HA )) ( (resid 115 and name HN )) 3.12 1.33 1.33
assign ((resid 115 and name HN )) ( (resid 117 and name HN )) 3.21 1.42 1.42
assign ((resid 114 and name HN )) ( (resid 116 and name HN )) 3.45 1.65 1.65
assign ((resid 113 and name HA )) ( (resid 116 and name HN )) 3.25 1.45 1.45
assign ((resid 112 and name HA )) ( (resid 116 and name HN )) 3.00 1.20 1.20
assign ((resid 115 and name HA )) ( (resid 118 and name HN )) 2.66 0.86 0.86
assign ((resid 116 and name HA )) ( (resid 119 and name HN )) 2.89 1.09 1.09
assign ((resid 116 and name HA )) ( (resid 120 and name HN )) 3.20 1.40 1.40
assign ((resid 118 and name HA )) ( (resid 121 and name HN )) 3.09 1.29 1.29
assign ((resid 119 and name HA )) ( (resid 122 and name HN )) 2.93 1.13 1.13
assign ((resid 3 and name HA )) ( (resid 5 and name HN )) 3.66 1.87 1.87
assign ((resid 5 and name HN )) ( (resid 8 and name HB* )) 3.42 1.62 1.62
assign ((resid 6 and name HN )) ( (resid 9 and name HB )) 3.48 1.69 1.69
assign ((resid 5 and name HA )) ( (resid 7 and name HN )) 3.30 1.51 1.51
assign ((resid 8 and name HN )) ( (resid 9 and name HB )) 3.43 1.63 1.63
assign ((resid 5 and name HB )) ( (resid 8 and name HN )) 3.36 1.56 1.56
assign ((resid 5 and name HN )) ( (resid 8 and name HN )) 3.27 1.47 1.47
assign ((resid 5 and name HN )) ( (resid 9 and name HN )) 3.30 1.51 1.51
assign ((resid 19 and name HA )) ( (resid 21 and name HN )) 3.27 1.47 1.47
assign ((resid 19 and name HB* )) ( (resid 21 and name HN )) 4.01 2.22 2.22
assign ((resid 18 and name HA )) ( (resid 21 and name HN )) 3.00 1.20 1.20
assign ((resid 20 and name HB1 )) ( (resid 22 and name HN )) 3.20 1.40 1.40
assign ((resid 20 and name HB2 )) ( (resid 22 and name HN )) 3.20 1.40 1.40
assign ((resid 18 and name HA )) ( (resid 22 and name HN )) 3.02 1.22 1.22
assign ((resid 20 and name HN )) ( (resid 22 and name HN )) 2.96 1.17 1.17
assign ((resid 22 and name HA )) ( (resid 24 and name HN )) 3.14 1.35 1.35
assign ((resid 43 and name HA )) ( (resid 46 and name HN )) 2.93 1.13 1.13
assign ((resid 42 and name HA )) ( (resid 47 and name HN )) 2.98 1.18 1.18
assign ((resid 49 and name HN )) ( (resid 51 and name HN )) 3.38 1.58 1.58
assign ((resid 47 and name HA )) ( (resid 49 and name HN )) 3.23 1.44 1.44
assign ((resid 49 and name HA )) ( (resid 52 and name HN )) 3.23 1.44 1.44
assign ((resid 51 and name HA )) ( (resid 54 and name HN )) 3.18 1.38 1.38
assign ((resid 53 and name HA )) ( (resid 55 and name HN )) 3.11 1.31 1.31
assign ((resid 61 and name HN )) ( (resid 64 and name HN )) 3.45 1.65 1.65
assign ((resid 69 and name HN )) ( (resid 70 and name HB2 )) 3.90 2.10 2.10
assign ((resid 72 and name HA )) ( (resid 74 and name HN )) 3.09 1.29 1.29
assign ((resid 72 and name HA )) ( (resid 75 and name HN )) 3.09 1.29 1.29
assign ((resid 73 and name HA )) ( (resid 76 and name HN )) 2.80 1.00 1.00
assign ((resid 76 and name HA )) ( (resid 78 and name HN )) 3.14 1.35 1.35
assign ((resid 98 and name HN )) ( (resid 99 and name HN )) 2.55 0.75 0.75
assign ((resid 100 and name HB1 )) ( (resid 102 and name HN )) 3.34 1.54 1.54
assign ((resid 100 and name HB2 )) ( (resid 102 and name HN )) 3.34 1.54 1.54
assign ((resid 105 and name HN )) ( (resid 106 and name HB* )) 3.78 1.98 1.98
assign ((resid 109 and name HN )) ( (resid 111 and name HN )) 3.21 1.42 1.42
assign ((resid 106 and name HA )) ( (resid 109 and name HN )) 3.02 1.22 1.22
assign ((resid 116 and name HA )) ( (resid 117 and name HN )) 2.67 0.88 0.88
assign ((resid 86 and name HN )) ( (resid 87 and name HN )) 2.67 0.88 0.88
assign ((resid 117 and name HA )) ( (resid 120 and name HN )) 3.09 1.29 1.29
assign ((resid 48 and name HA )) ( (resid 52 and name HN )) 2.80 1.00 1.00
assign ((resid 12 and name HG* )) ( (resid 13 and name HN )) 4.34 2.54 2.54
assign ((resid 13 and name HG2 )) ( (resid 14 and name HN )) 3.90 2.10 2.10
assign ((resid 13 and name HG1 )) ( (resid 14 and name HN )) 3.90 2.10 2.10
assign ((resid 20 and name HG* )) ( (resid 21 and name HN )) 4.34 2.54 2.54
assign ((resid 41 and name HG )) ( (resid 42 and name HN )) 3.57 1.78 1.78
assign ((resid 55 and name HG2 )) ( (resid 56 and name HN )) 3.90 2.10 2.10
assign ((resid 55 and name HG1 )) ( (resid 56 and name HN )) 3.90 2.10 2.10
assign ((resid 59 and name HG* )) ( (resid 60 and name HN )) 4.34 2.54 2.54
assign ((resid 82 and name HG )) ( (resid 83 and name HN )) 3.70 1.90 1.90
assign ((resid 96 and name HG* )) ( (resid 97 and name HN )) 4.34 2.54 2.54
assign ((resid 108 and name HG* )) ( (resid 109 and name HN )) 4.27 2.47 2.47
assign ((resid 114 and name HG )) ( (resid 115 and name HN )) 3.72 1.92 1.92
assign ((resid 116 and name HG12 )) ( (resid 117 and name HN )) 3.90 2.10 2.10
assign ((resid 116 and name HG11 )) ( (resid 117 and name HN )) 3.90 2.10 2.10
assign ((resid 8 and name HN )) ( (resid 8 and name HG2 )) 2.89 1.09 1.09
assign ((resid 8 and name HN )) ( (resid 8 and name HG1 )) 2.89 1.09 1.09
assign ((resid 13 and name HN )) ( (resid 13 and name HG1 )) 2.76 0.97 0.97
assign ((resid 15 and name HN )) ( (resid 15 and name HG2 )) 2.75 0.95 0.95
assign ((resid 15 and name HN )) ( (resid 15 and name HG1 )) 2.75 0.95 0.95
assign ((resid 16 and name HN )) ( (resid 16 and name HG2 )) 2.94 1.15 1.15
assign ((resid 18 and name HN )) ( (resid 18 and name HG )) 3.34 1.54 1.54
assign ((resid 20 and name HN )) ( (resid 20 and name HG* )) 3.55 1.75 1.75
assign ((resid 28 and name HN )) ( (resid 28 and name HG2 )) 3.54 1.74 1.74
assign ((resid 28 and name HN )) ( (resid 28 and name HG1 )) 3.54 1.74 1.74
assign ((resid 32 and name HN )) ( (resid 32 and name HG2 )) 3.05 1.26 1.26
assign ((resid 35 and name HN )) ( (resid 35 and name HG2 )) 3.05 1.26 1.26
assign ((resid 35 and name HN )) ( (resid 35 and name HG1 )) 3.05 1.26 1.26
assign ((resid 36 and name HN )) ( (resid 36 and name HG2 )) 3.05 1.26 1.26
assign ((resid 36 and name HN )) ( (resid 36 and name HG1 )) 3.05 1.26 1.26
assign ((resid 38 and name HN )) ( (resid 38 and name HG12 )) 2.89 1.09 1.09
assign ((resid 38 and name HN )) ( (resid 38 and name HG11 )) 2.89 1.09 1.09
assign ((resid 40 and name HN )) ( (resid 40 and name HG )) 2.73 0.93 0.93
assign ((resid 44 and name HN )) ( (resid 44 and name HG2 )) 3.00 1.20 1.20
assign ((resid 47 and name HN )) ( (resid 47 and name HG )) 2.62 0.82 0.82
assign ((resid 48 and name HN )) ( (resid 48 and name HG2 )) 3.30 1.51 1.51
assign ((resid 48 and name HN )) ( (resid 48 and name HG1 )) 3.30 1.51 1.51
assign ((resid 50 and name HN )) ( (resid 50 and name HG11 )) 3.16 1.36 1.36
assign ((resid 55 and name HN )) ( (resid 55 and name HG2 )) 3.27 1.47 1.47
assign ((resid 55 and name HN )) ( (resid 55 and name HG1 )) 3.27 1.47 1.47
assign ((resid 59 and name HN )) ( (resid 59 and name HG* )) 3.46 1.66 1.66
assign ((resid 60 and name HN )) ( (resid 60 and name HD1 )) 3.03 1.24 1.24
assign ((resid 61 and name HN )) ( (resid 61 and name HG2 )) 3.29 1.49 1.49
assign ((resid 61 and name HN )) ( (resid 61 and name HG1 )) 3.29 1.49 1.49
assign ((resid 65 and name HN )) ( (resid 65 and name HG )) 2.67 0.88 0.88
assign ((resid 67 and name HN )) ( (resid 67 and name HG1 )) 3.34 1.54 1.54
assign ((resid 70 and name HN )) ( (resid 70 and name HG1 )) 3.25 1.45 1.45
assign ((resid 71 and name HN )) ( (resid 71 and name HG )) 2.53 0.73 0.73
assign ((resid 72 and name HN )) ( (resid 72 and name HG )) 2.75 0.95 0.95
assign ((resid 73 and name HN )) ( (resid 73 and name HG1 )) 3.29 1.49 1.49
assign ((resid 79 and name HN )) ( (resid 79 and name HG1* )) 3.65 1.86 1.86
assign ((resid 81 and name HN )) ( (resid 81 and name HG12 )) 2.98 1.18 1.18
assign ((resid 82 and name HN )) ( (resid 82 and name HG )) 2.40 0.61 0.61
assign ((resid 84 and name HN )) ( (resid 84 and name HG2 )) 3.50 1.71 1.71
assign ((resid 84 and name HN )) ( (resid 84 and name HG1 )) 3.50 1.71 1.71
assign ((resid 99 and name HN )) ( (resid 99 and name HG )) 2.75 0.95 0.95
assign ((resid 102 and name HN )) ( (resid 102 and name HG1 )) 3.03 1.24 1.24
assign ((resid 103 and name HN )) ( (resid 103 and name HG* )) 3.47 1.68 1.68
assign ((resid 105 and name HN )) ( (resid 105 and name HG1 )) 3.21 1.42 1.42
assign ((resid 106 and name HN )) ( (resid 106 and name HG2 )) 3.30 1.51 1.51
assign ((resid 106 and name HN )) ( (resid 106 and name HG1 )) 3.30 1.51 1.51
assign ((resid 108 and name HN )) ( (resid 108 and name HG* )) 3.49 1.70 1.70
assign ((resid 109 and name HN )) ( (resid 109 and name HG2 )) 3.21 1.42 1.42
assign ((resid 109 and name HN )) ( (resid 109 and name HG1 )) 3.21 1.42 1.42
assign ((resid 112 and name HN )) ( (resid 112 and name HG2 )) 3.79 1.99 1.99
assign ((resid 113 and name HN )) ( (resid 113 and name HG2 )) 2.89 1.09 1.09
assign ((resid 113 and name HN )) ( (resid 113 and name HG1 )) 2.89 1.09 1.09
assign ((resid 114 and name HN )) ( (resid 114 and name HG )) 2.89 1.09 1.09
assign ((resid 125 and name HN )) ( (resid 125 and name HD2 )) 3.90 2.10 2.10
assign ((resid 53 and name HA )) ( (resid 53 and name HD21 )) 3.57 1.78 1.78
assign ((resid 53 and name HA )) ( (resid 53 and name HD22 )) 3.57 1.78 1.78
assign ((resid 64 and name HA )) ( (resid 64 and name HD21 )) 3.27 1.47 1.47
assign ((resid 64 and name HA )) ( (resid 64 and name HD22 )) 3.27 1.47 1.47
assign ((resid 75 and name HA )) ( (resid 75 and name HD22 )) 3.50 1.71 1.71
assign ((resid 25 and name HB1 )) ( (resid 25 and name HE21 )) 3.90 2.10 2.10
assign ((resid 25 and name HB2 )) ( (resid 25 and name HE21 )) 3.90 2.10 2.10
assign ((resid 25 and name HB1 )) ( (resid 25 and name HE22 )) 3.90 2.10 2.10
assign ((resid 25 and name HB2 )) ( (resid 25 and name HE22 )) 3.90 2.10 2.10
assign ((resid 4 and name HB* )) ( (resid 9 and name HN )) 4.34 2.54 2.54
assign ((resid 20 and name HG* )) ( (resid 22 and name HN )) 4.34 2.54 2.54
assign ((resid 17 and name HB2 )) ( (resid 26 and name HN )) 3.79 1.99 1.99
assign ((resid 17 and name HB1 )) ( (resid 26 and name HN )) 3.18 1.38 1.38
assign ((resid 10 and name HB1 )) ( (resid 33 and name HN )) 3.25 1.45 1.45
assign ((resid 10 and name HB2 )) ( (resid 33 and name HN )) 3.52 1.72 1.72
assign ((resid 41 and name HA )) ( (resid 45 and name HD21 )) 3.68 1.89 1.89
assign ((resid 41 and name HB1 )) ( (resid 45 and name HD21 )) 4.78 2.98 2.98
assign ((resid 41 and name HB1 )) ( (resid 45 and name HD22 )) 4.78 2.98 2.98
assign ((resid 48 and name HB1 )) ( (resid 52 and name HD21 )) 4.38 2.59 2.59
assign ((resid 48 and name HD* )) ( (resid 52 and name HD21 )) 4.34 2.54 2.54
assign ((resid 48 and name HB1 )) ( (resid 52 and name HD22 )) 4.38 2.59 2.59
assign ((resid 48 and name HD* )) ( (resid 52 and name HD22 )) 4.34 2.54 2.54
assign ((resid 49 and name HA )) ( (resid 52 and name HD21 )) 3.65 1.85 1.85
assign ((resid 49 and name HA )) ( (resid 52 and name HD22 )) 3.65 1.85 1.85
assign ((resid 50 and name HA )) ( (resid 53 and name HD21 )) 3.50 1.71 1.71
assign ((resid 50 and name HA )) ( (resid 53 and name HD22 )) 3.50 1.71 1.71
assign ((resid 55 and name HD* )) ( (resid 56 and name HN )) 4.34 2.54 2.54
assign ((resid 64 and name HN )) ( (resid 65 and name HG )) 3.68 1.89 1.89
assign ((resid 79 and name HN )) ( (resid 80 and name HD2 )) 2.87 1.08 1.08
assign ((resid 79 and name HN )) ( (resid 80 and name HD1 )) 2.87 1.08 1.08
assign ((resid 112 and name HN )) ( (resid 112 and name HG1 )) 3.79 1.99 1.99
assign ((resid 9 and name HG2* )) ( (resid 10 and name HN )) 3.44 1.64 1.64
assign ((resid 9 and name HG1* )) ( (resid 10 and name HN )) 3.36 1.57 1.57
assign ((resid 18 and name HD1* )) ( (resid 19 and name HN )) 4.41 2.61 2.61
assign ((resid 23 and name HD2* )) ( (resid 24 and name HN )) 4.05 2.25 2.25
assign ((resid 24 and name HG1* )) ( (resid 25 and name HN )) 3.31 1.51 1.51
assign ((resid 24 and name HG2* )) ( (resid 25 and name HN )) 3.63 1.84 1.84
assign ((resid 38 and name HG2* )) ( (resid 39 and name HN )) 3.74 1.95 1.95
assign ((resid 41 and name HD1* )) ( (resid 42 and name HN )) 3.85 2.05 2.05
assign ((resid 42 and name HG1* )) ( (resid 43 and name HN )) 3.56 1.77 1.77
assign ((resid 54 and name HG2* )) ( (resid 55 and name HN )) 3.76 1.96 1.96
assign ((resid 71 and name HD1* )) ( (resid 72 and name HN )) 3.69 1.89 1.89
assign ((resid 71 and name HD2* )) ( (resid 72 and name HN )) 3.74 1.95 1.95
assign ((resid 82 and name HD1* )) ( (resid 83 and name HN )) 3.94 2.14 2.14
assign ((resid 82 and name HD2* )) ( (resid 83 and name HN )) 4.17 2.38 2.38
assign ((resid 88 and name HG2* )) ( (resid 89 and name HN )) 3.63 1.84 1.84
assign ((resid 97 and name HD2* )) ( (resid 98 and name HN )) 4.41 2.61 2.61
assign ((resid 99 and name HD2* )) ( (resid 100 and name HN )) 3.47 1.68 1.68
assign ((resid 107 and name HD1* )) ( (resid 108 and name HN )) 4.28 2.49 2.49
assign ((resid 111 and name HG2* )) ( (resid 112 and name HN )) 3.63 1.84 1.84
assign ((resid 114 and name HD2* )) ( (resid 115 and name HN )) 4.08 2.29 2.29
assign ((resid 114 and name HD1* )) ( (resid 115 and name HN )) 4.24 2.45 2.45
assign ((resid 116 and name HG2* )) ( (resid 117 and name HN )) 3.07 1.28 1.28
assign ((resid 119 and name HG2* )) ( (resid 120 and name HN )) 3.51 1.71 1.71
assign ((resid 122 and name HD1* )) ( (resid 123 and name HN )) 3.63 1.84 1.84
assign ((resid 122 and name HD2* )) ( (resid 123 and name HN )) 3.97 2.18 2.18
assign ((resid 23 and name HN )) ( (resid 23 and name HD1* )) 3.36 1.57 1.57
assign ((resid 23 and name HN )) ( (resid 23 and name HD2* )) 3.42 1.62 1.62
assign ((resid 38 and name HN )) ( (resid 38 and name HD1* )) 3.44 1.64 1.64
assign ((resid 40 and name HN )) ( (resid 40 and name HD1* )) 3.35 1.55 1.55
assign ((resid 47 and name HN )) ( (resid 47 and name HD1* )) 3.53 1.73 1.73
assign ((resid 65 and name HN )) ( (resid 65 and name HD2* )) 3.76 1.96 1.96
assign ((resid 65 and name HN )) ( (resid 65 and name HD1* )) 3.78 1.98 1.98
assign ((resid 79 and name HN )) ( (resid 79 and name HD1* )) 3.36 1.57 1.57
assign ((resid 82 and name HN )) ( (resid 82 and name HD1* )) 3.60 1.80 1.80
assign ((resid 99 and name HN )) ( (resid 99 and name HD2* )) 3.74 1.95 1.95
assign ((resid 104 and name HN )) ( (resid 104 and name HG1* )) 3.29 1.50 1.50
assign ((resid 104 and name HN )) ( (resid 104 and name HG2* )) 3.25 1.46 1.46
assign ((resid 114 and name HN )) ( (resid 114 and name HD2* )) 3.80 2.00 2.00
assign ((resid 114 and name HN )) ( (resid 114 and name HD1* )) 3.67 1.87 1.87
assign ((resid 116 and name HN )) ( (resid 116 and name HD1* )) 3.31 1.51 1.51
assign ((resid 119 and name HN )) ( (resid 119 and name HG1* )) 3.20 1.41 1.41
assign ((resid 122 and name HN )) ( (resid 122 and name HD1* )) 3.56 1.77 1.77
assign ((resid 122 and name HN )) ( (resid 122 and name HD2* )) 3.51 1.71 1.71
assign ((resid 5 and name HG2* )) ( (resid 8 and name HN )) 4.41 2.61 2.61
assign ((resid 8 and name HN )) ( (resid 119 and name HG2* )) 4.26 2.47 2.47
assign ((resid 8 and name HN )) ( (resid 119 and name HG1* )) 3.80 2.00 2.00
assign ((resid 8 and name HN )) ( (resid 115 and name HG1* )) 3.90 2.11 2.11
assign ((resid 12 and name HN )) ( (resid 33 and name HB* )) 4.19 2.40 2.40
assign ((resid 23 and name HN )) ( (resid 26 and name HB* )) 4.41 2.61 2.61
assign ((resid 23 and name HN )) ( (resid 24 and name HG2* )) 4.35 2.56 2.56
assign ((resid 34 and name HN )) ( (resid 86 and name HB* )) 4.28 2.49 2.49
assign ((resid 34 and name HN )) ( (resid 111 and name HG2* )) 4.08 2.29 2.29
assign ((resid 7 and name HB* )) ( (resid 36 and name HN )) 3.96 2.16 2.16
assign ((resid 37 and name HN )) ( (resid 118 and name HB* )) 3.72 1.93 1.93
assign ((resid 42 and name HG1* )) ( (resid 47 and name HN )) 3.35 1.55 1.55
assign ((resid 47 and name HD2* )) ( (resid 48 and name HN )) 3.67 1.87 1.87
assign ((resid 54 and name HG1* )) ( (resid 56 and name HN )) 3.85 2.05 2.05
assign ((resid 43 and name HD1* )) ( (resid 60 and name HE1 )) 4.26 2.47 2.47
assign ((resid 54 and name HG1* )) ( (resid 60 and name HE1 )) 3.81 2.02 2.02
assign ((resid 50 and name HD1* )) ( (resid 67 and name HN )) 4.35 2.56 2.56
assign ((resid 38 and name HG2* )) ( (resid 69 and name HN )) 3.72 1.93 1.93
assign ((resid 50 and name HD1* )) ( (resid 69 and name HN )) 4.32 2.52 2.52
assign ((resid 69 and name HN )) ( (resid 72 and name HD2* )) 4.21 2.41 2.41
assign ((resid 75 and name HN )) ( (resid 79 and name HD1* )) 4.30 2.50 2.50
assign ((resid 76 and name HN )) ( (resid 79 and name HD1* )) 3.38 1.59 1.59
assign ((resid 78 and name HN )) ( (resid 82 and name HD1* )) 4.19 2.40 2.40
assign ((resid 81 and name HG2* )) ( (resid 84 and name HN )) 4.39 2.59 2.59
assign ((resid 34 and name HB* )) ( (resid 86 and name HN )) 4.39 2.59 2.59
assign ((resid 89 and name HN )) ( (resid 107 and name HD1* )) 3.89 2.09 2.09
assign ((resid 90 and name HN )) ( (resid 91 and name HG2* )) 4.41 2.61 2.61
assign ((resid 103 and name HN )) ( (resid 104 and name HG2* )) 4.12 2.32 2.32
assign ((resid 104 and name HN )) ( (resid 107 and name HD2* )) 4.26 2.47 2.47
assign ((resid 104 and name HG1* )) ( (resid 105 and name HN )) 3.20 1.41 1.41
assign ((resid 82 and name HD2* )) ( (resid 110 and name HN )) 3.65 1.86 1.86
assign ((resid 82 and name HD2* )) ( (resid 113 and name HN )) 3.78 1.98 1.98
assign ((resid 37 and name HB* )) ( (resid 114 and name HN )) 4.41 2.61 2.61
assign ((resid 114 and name HN )) ( (resid 115 and name HG2* )) 3.54 1.75 1.75
assign ((resid 111 and name HG1* )) ( (resid 115 and name HN )) 4.32 2.52 2.52
assign ((resid 37 and name HB* )) ( (resid 115 and name HN )) 4.24 2.45 2.45
assign ((resid 41 and name HD1* )) ( (resid 118 and name HN )) 3.29 1.50 1.50
assign ((resid 118 and name HB* )) ( (resid 121 and name HN )) 4.41 2.61 2.61
assign ((resid 121 and name HN )) ( (resid 122 and name HD1* )) 3.62 1.82 1.82
assign ((resid 14 and name HB* )) ( (resid 29 and name HN )) 3.79 2.00 2.00
assign ((resid 39 and name HN )) ( (resid 40 and name HD1* )) 3.80 2.00 2.00
assign ((resid 37 and name HB* )) ( (resid 118 and name HN )) 3.83 2.04 2.04
assign ((resid 6 and name HN )) ( (resid 6 and name HB2 )) 2.84 1.04 1.04
assign ((resid 6 and name HN )) ( (resid 6 and name HB1 )) 2.84 1.04 1.04
assign ((resid 9 and name HN )) ( (resid 9 and name HB )) 2.44 0.64 0.64
assign ((resid 12 and name HN )) ( (resid 12 and name HB2 )) 2.48 0.68 0.68
assign ((resid 12 and name HN )) ( (resid 12 and name HB1 )) 2.48 0.68 0.68
assign ((resid 15 and name HN )) ( (resid 15 and name HB1 )) 2.87 1.08 1.08
assign ((resid 16 and name HA )) ( (resid 16 and name HB2 )) 2.33 0.54 0.54
assign ((resid 16 and name HA )) ( (resid 16 and name HB1 )) 2.33 0.54 0.54
assign ((resid 16 and name HN )) ( (resid 16 and name HB2 )) 2.55 0.75 0.75
assign ((resid 16 and name HN )) ( (resid 16 and name HB1 )) 2.55 0.75 0.75
assign ((resid 20 and name HN )) ( (resid 20 and name HB2 )) 2.64 0.84 0.84
assign ((resid 22 and name HN )) ( (resid 22 and name HB1 )) 2.60 0.81 0.81
assign ((resid 23 and name HN )) ( (resid 23 and name HB1 )) 2.73 0.93 0.93
assign ((resid 24 and name HN )) ( (resid 24 and name HB )) 2.31 0.52 0.52
assign ((resid 27 and name HN )) ( (resid 27 and name HB1 )) 2.80 1.00 1.00
assign ((resid 32 and name HN )) ( (resid 32 and name HB1 )) 2.76 0.97 0.97
assign ((resid 35 and name HN )) ( (resid 35 and name HB1 )) 2.87 1.08 1.08
assign ((resid 38 and name HN )) ( (resid 38 and name HB )) 2.49 0.70 0.70
assign ((resid 40 and name HN )) ( (resid 40 and name HB1 )) 2.62 0.82 0.82
assign ((resid 41 and name HN )) ( (resid 41 and name HB1 )) 2.93 1.13 1.13
assign ((resid 42 and name HN )) ( (resid 42 and name HB )) 2.51 0.72 0.72
assign ((resid 43 and name HN )) ( (resid 43 and name HB )) 2.40 0.61 0.61
assign ((resid 44 and name HN )) ( (resid 44 and name HB2 )) 2.82 1.02 1.02
assign ((resid 45 and name HN )) ( (resid 45 and name HB2 )) 2.67 0.88 0.88
assign ((resid 46 and name HN )) ( (resid 46 and name HA )) 2.21 0.41 0.41
assign ((resid 46 and name HN )) ( (resid 46 and name HB2 )) 2.71 0.91 0.91
assign ((resid 46 and name HA )) ( (resid 46 and name HB2 )) 2.40 0.61 0.61
assign ((resid 46 and name HN )) ( (resid 46 and name HB1 )) 2.71 0.91 0.91
assign ((resid 46 and name HA )) ( (resid 46 and name HB1 )) 2.40 0.61 0.61
assign ((resid 48 and name HN )) ( (resid 48 and name HB2 )) 2.53 0.73 0.73
assign ((resid 48 and name HN )) ( (resid 48 and name HB1 )) 2.53 0.73 0.73
assign ((resid 49 and name HA )) ( (resid 49 and name HB2 )) 2.37 0.57 0.57
assign ((resid 49 and name HA )) ( (resid 49 and name HB1 )) 2.37 0.57 0.57
assign ((resid 49 and name HN )) ( (resid 49 and name HB2 )) 2.64 0.84 0.84
assign ((resid 49 and name HN )) ( (resid 49 and name HB1 )) 2.64 0.84 0.84
assign ((resid 50 and name HN )) ( (resid 50 and name HB )) 2.49 0.70 0.70
assign ((resid 51 and name HN )) ( (resid 51 and name HB )) 2.78 0.99 0.99
assign ((resid 51 and name HA )) ( (resid 51 and name HB )) 2.35 0.55 0.55
assign ((resid 53 and name HN )) ( (resid 53 and name HB2 )) 2.58 0.79 0.79
assign ((resid 53 and name HN )) ( (resid 53 and name HB1 )) 2.58 0.79 0.79
assign ((resid 54 and name HN )) ( (resid 54 and name HB )) 2.49 0.70 0.70
assign ((resid 55 and name HN )) ( (resid 55 and name HB2 )) 2.53 0.73 0.73
assign ((resid 56 and name HN )) ( (resid 56 and name HB2 )) 2.53 0.73 0.73
assign ((resid 56 and name HN )) ( (resid 56 and name HB1 )) 2.53 0.73 0.73
assign ((resid 57 and name HN )) ( (resid 57 and name HA )) 2.35 0.55 0.55
assign ((resid 57 and name HN )) ( (resid 57 and name HB2 )) 2.51 0.72 0.72
assign ((resid 59 and name HN )) ( (resid 59 and name HB1 )) 2.64 0.84 0.84
assign ((resid 61 and name HN )) ( (resid 61 and name HB2 )) 2.94 1.15 1.15
assign ((resid 61 and name HN )) ( (resid 61 and name HB1 )) 2.94 1.15 1.15
assign ((resid 62 and name HA )) ( (resid 62 and name HB1 )) 2.37 0.57 0.57
assign ((resid 62 and name HN )) ( (resid 62 and name HB2 )) 2.85 1.06 1.06
assign ((resid 62 and name HA )) ( (resid 62 and name HB2 )) 2.37 0.57 0.57
assign ((resid 62 and name HN )) ( (resid 62 and name HB1 )) 2.85 1.06 1.06
assign ((resid 63 and name HN )) ( (resid 63 and name HB2 )) 2.66 0.86 0.86
assign ((resid 63 and name HN )) ( (resid 63 and name HB1 )) 2.66 0.86 0.86
assign ((resid 64 and name HN )) ( (resid 64 and name HB2 )) 2.58 0.79 0.79
assign ((resid 64 and name HN )) ( (resid 64 and name HB1 )) 2.58 0.79 0.79
assign ((resid 66 and name HN )) ( (resid 66 and name HB2 )) 2.84 1.04 1.04
assign ((resid 67 and name HN )) ( (resid 67 and name HB1 )) 2.53 0.73 0.73
assign ((resid 70 and name HN )) ( (resid 70 and name HB1 )) 2.60 0.81 0.81
assign ((resid 70 and name HN )) ( (resid 70 and name HB2 )) 2.53 0.73 0.73
assign ((resid 71 and name HN )) ( (resid 71 and name HB2 )) 2.84 1.04 1.04
assign ((resid 71 and name HN )) ( (resid 71 and name HB1 )) 2.84 1.04 1.04
assign ((resid 73 and name HN )) ( (resid 73 and name HB1 )) 2.53 0.73 0.73
assign ((resid 73 and name HN )) ( (resid 73 and name HB2 )) 2.53 0.73 0.73
assign ((resid 75 and name HN )) ( (resid 75 and name HB2 )) 2.57 0.77 0.77
assign ((resid 75 and name HN )) ( (resid 75 and name HB1 )) 2.57 0.77 0.77
assign ((resid 77 and name HN )) ( (resid 77 and name HB )) 2.64 0.84 0.84
assign ((resid 77 and name HA )) ( (resid 77 and name HB )) 2.37 0.57 0.57
assign ((resid 78 and name HA )) ( (resid 78 and name HB2 )) 2.39 0.59 0.59
assign ((resid 78 and name HA )) ( (resid 78 and name HB1 )) 2.35 0.55 0.55
assign ((resid 78 and name HN )) ( (resid 78 and name HB2 )) 2.40 0.61 0.61
assign ((resid 78 and name HN )) ( (resid 78 and name HB1 )) 2.62 0.82 0.82
assign ((resid 81 and name HN )) ( (resid 81 and name HB )) 2.37 0.57 0.57
assign ((resid 84 and name HN )) ( (resid 84 and name HB2 )) 2.44 0.64 0.64
assign ((resid 84 and name HN )) ( (resid 84 and name HB1 )) 2.44 0.64 0.64
assign ((resid 87 and name HA )) ( (resid 90 and name HN )) 2.89 1.09 1.09
assign ((resid 91 and name HN )) ( (resid 91 and name HB )) 2.55 0.75 0.75
assign ((resid 94 and name HN )) ( (resid 94 and name HB2 )) 2.75 0.95 0.95
assign ((resid 94 and name HN )) ( (resid 94 and name HB1 )) 2.75 0.95 0.95
assign ((resid 97 and name HN )) ( (resid 97 and name HB2 )) 2.80 1.00 1.00
assign ((resid 97 and name HN )) ( (resid 97 and name HB1 )) 2.80 1.00 1.00
assign ((resid 99 and name HN )) ( (resid 99 and name HB1 )) 2.94 1.15 1.15
assign ((resid 101 and name HN )) ( (resid 101 and name HB2 )) 2.64 0.84 0.84
assign ((resid 101 and name HN )) ( (resid 101 and name HB1 )) 2.64 0.84 0.84
assign ((resid 102 and name HN )) ( (resid 102 and name HB2 )) 2.40 0.61 0.61
assign ((resid 102 and name HA )) ( (resid 102 and name HB2 )) 2.40 0.61 0.61
assign ((resid 103 and name HN )) ( (resid 103 and name HB2 )) 2.60 0.81 0.81
assign ((resid 103 and name HN )) ( (resid 103 and name HB1 )) 2.60 0.81 0.81
assign ((resid 107 and name HN )) ( (resid 107 and name HB2 )) 2.84 1.04 1.04
assign ((resid 111 and name HN )) ( (resid 111 and name HB )) 2.64 0.84 0.84
assign ((resid 113 and name HN )) ( (resid 113 and name HB2 )) 2.71 0.91 0.91
assign ((resid 114 and name HA )) ( (resid 114 and name HB1 )) 2.39 0.59 0.59
assign ((resid 114 and name HN )) ( (resid 114 and name HB2 )) 2.51 0.72 0.72
assign ((resid 114 and name HN )) ( (resid 114 and name HB1 )) 2.53 0.73 0.73
assign ((resid 115 and name HN )) ( (resid 115 and name HB )) 2.31 0.52 0.52
assign ((resid 116 and name HN )) ( (resid 116 and name HB )) 2.39 0.59 0.59
assign ((resid 117 and name HN )) ( (resid 117 and name HB2 )) 2.48 0.68 0.68
assign ((resid 117 and name HN )) ( (resid 117 and name HB1 )) 2.51 0.72 0.72
assign ((resid 120 and name HN )) ( (resid 120 and name HB2 )) 2.48 0.68 0.68
assign ((resid 120 and name HN )) ( (resid 120 and name HB1 )) 2.48 0.68 0.68
assign ((resid 121 and name HN )) ( (resid 121 and name HB1 )) 2.62 0.82 0.82
assign ((resid 124 and name HA )) ( (resid 124 and name HB2 )) 2.40 0.61 0.61
assign ((resid 124 and name HA )) ( (resid 124 and name HB1 )) 2.40 0.61 0.61
assign ((resid 124 and name HN )) ( (resid 124 and name HB2 )) 2.73 0.93 0.93
assign ((resid 3 and name HA )) ( (resid 4 and name HN )) 2.12 0.32 0.32
assign ((resid 3 and name HB )) ( (resid 4 and name HN )) 2.51 0.72 0.72
assign ((resid 4 and name HA )) ( (resid 5 and name HN )) 2.26 0.46 0.46
assign ((resid 5 and name HA )) ( (resid 6 and name HN )) 2.30 0.50 0.50
assign ((resid 5 and name HB )) ( (resid 6 and name HN )) 2.57 0.77 0.77
assign ((resid 16 and name HB2 )) ( (resid 17 and name HN )) 2.71 0.91 0.91
assign ((resid 16 and name HB1 )) ( (resid 17 and name HN )) 2.71 0.91 0.91
assign ((resid 18 and name HA )) ( (resid 19 and name HN )) 2.66 0.86 0.86
assign ((resid 22 and name HA )) ( (resid 23 and name HN )) 2.30 0.50 0.50
assign ((resid 23 and name HB1 )) ( (resid 24 and name HN )) 2.96 1.17 1.17
assign ((resid 24 and name HB )) ( (resid 25 and name HN )) 2.49 0.70 0.70
assign ((resid 32 and name HB1 )) ( (resid 33 and name HN )) 2.96 1.17 1.17
assign ((resid 35 and name HB2 )) ( (resid 36 and name HN )) 2.85 1.06 1.06
assign ((resid 38 and name HB )) ( (resid 39 and name HN )) 2.85 1.06 1.06
assign ((resid 40 and name HB2 )) ( (resid 41 and name HN )) 2.62 0.82 0.82
assign ((resid 40 and name HB1 )) ( (resid 41 and name HN )) 2.75 0.95 0.95
assign ((resid 42 and name HB )) ( (resid 43 and name HN )) 2.66 0.86 0.86
assign ((resid 43 and name HB )) ( (resid 44 and name HN )) 2.58 0.79 0.79
assign ((resid 46 and name HA )) ( (resid 47 and name HN )) 2.44 0.64 0.64
assign ((resid 48 and name HB2 )) ( (resid 49 and name HN )) 2.91 1.11 1.11
assign ((resid 50 and name HB )) ( (resid 51 and name HN )) 2.62 0.82 0.82
assign ((resid 54 and name HA )) ( (resid 55 and name HN )) 2.62 0.82 0.82
assign ((resid 54 and name HB )) ( (resid 55 and name HN )) 2.80 1.00 1.00
assign ((resid 56 and name HA )) ( (resid 57 and name HN )) 2.64 0.84 0.84
assign ((resid 56 and name HB2 )) ( (resid 57 and name HN )) 2.82 1.02 1.02
assign ((resid 56 and name HB1 )) ( (resid 57 and name HN )) 2.82 1.02 1.02
assign ((resid 57 and name HA )) ( (resid 58 and name HN )) 2.49 0.70 0.70
assign ((resid 58 and name HA2 )) ( (resid 59 and name HN )) 2.60 0.81 0.81
assign ((resid 58 and name HA1 )) ( (resid 59 and name HN )) 2.60 0.81 0.81
assign ((resid 59 and name HA )) ( (resid 60 and name HN )) 2.31 0.52 0.52
assign ((resid 59 and name HB2 )) ( (resid 60 and name HN )) 2.98 1.18 1.18
assign ((resid 59 and name HB1 )) ( (resid 60 and name HN )) 2.98 1.18 1.18
assign ((resid 60 and name HA )) ( (resid 61 and name HN )) 2.40 0.61 0.61
assign ((resid 63 and name HB2 )) ( (resid 64 and name HN )) 3.02 1.22 1.22
assign ((resid 63 and name HB1 )) ( (resid 64 and name HN )) 3.02 1.22 1.22
assign ((resid 67 and name HB1 )) ( (resid 68 and name HN )) 2.42 0.63 0.63
assign ((resid 67 and name HB2 )) ( (resid 68 and name HN )) 2.53 0.73 0.73
assign ((resid 70 and name HA )) ( (resid 71 and name HN )) 2.67 0.88 0.88
assign ((resid 70 and name HB1 )) ( (resid 71 and name HN )) 2.60 0.81 0.81
assign ((resid 70 and name HB2 )) ( (resid 71 and name HN )) 2.58 0.79 0.79
assign ((resid 73 and name HB1 )) ( (resid 74 and name HN )) 2.93 1.13 1.13
assign ((resid 75 and name HB2 )) ( (resid 76 and name HN )) 2.75 0.95 0.95
assign ((resid 75 and name HB1 )) ( (resid 76 and name HN )) 2.75 0.95 0.95
assign ((resid 76 and name HA )) ( (resid 77 and name HN )) 2.30 0.50 0.50
assign ((resid 77 and name HB )) ( (resid 78 and name HN )) 3.09 1.29 1.29
assign ((resid 80 and name HB1 )) ( (resid 81 and name HN )) 2.98 1.18 1.18
assign ((resid 80 and name HB2 )) ( (resid 81 and name HN )) 2.73 0.93 0.93
assign ((resid 81 and name HB )) ( (resid 82 and name HN )) 2.58 0.79 0.79
assign ((resid 84 and name HB2 )) ( (resid 85 and name HN )) 2.76 0.97 0.97
assign ((resid 84 and name HB1 )) ( (resid 85 and name HN )) 2.76 0.97 0.97
assign ((resid 91 and name HB )) ( (resid 92 and name HN )) 2.69 0.90 0.90
assign ((resid 94 and name HB2 )) ( (resid 95 and name HN )) 3.07 1.27 1.27
assign ((resid 94 and name HB1 )) ( (resid 95 and name HN )) 3.07 1.27 1.27
assign ((resid 97 and name HA )) ( (resid 98 and name HN )) 2.46 0.66 0.66
assign ((resid 99 and name HA )) ( (resid 100 and name HN )) 2.30 0.50 0.50
assign ((resid 100 and name HB2 )) ( (resid 101 and name HN )) 2.71 0.91 0.91
assign ((resid 100 and name HB1 )) ( (resid 101 and name HN )) 2.71 0.91 0.91
assign ((resid 101 and name HB2 )) ( (resid 102 and name HN )) 2.76 0.97 0.97
assign ((resid 101 and name HB1 )) ( (resid 102 and name HN )) 2.76 0.97 0.97
assign ((resid 102 and name HB2 )) ( (resid 103 and name HN )) 2.71 0.91 0.91
assign ((resid 102 and name HB1 )) ( (resid 103 and name HN )) 2.66 0.86 0.86
assign ((resid 103 and name HB2 )) ( (resid 104 and name HN )) 2.89 1.09 1.09
assign ((resid 103 and name HB1 )) ( (resid 104 and name HN )) 2.89 1.09 1.09
assign ((resid 114 and name HB2 )) ( (resid 115 and name HN )) 2.78 0.99 0.99
assign ((resid 117 and name HB2 )) ( (resid 118 and name HN )) 2.75 0.95 0.95
assign ((resid 117 and name HB1 )) ( (resid 118 and name HN )) 2.62 0.82 0.82
assign ((resid 122 and name HA )) ( (resid 123 and name HN )) 2.60 0.81 0.81
assign ((resid 6 and name HA )) ( (resid 9 and name HB )) 2.57 0.77 0.77
assign ((resid 7 and name HA )) ( (resid 10 and name HB1 )) 3.36 1.56 1.56
assign ((resid 8 and name HA )) ( (resid 11 and name HN )) 2.75 0.95 0.95
assign ((resid 8 and name HA )) ( (resid 11 and name HB2 )) 2.89 1.09 1.09
assign ((resid 8 and name HA )) ( (resid 11 and name HB1 )) 2.69 0.90 0.90
assign ((resid 9 and name HA )) ( (resid 12 and name HN )) 2.87 1.08 1.08
assign ((resid 9 and name HA )) ( (resid 12 and name HB2 )) 2.80 1.00 1.00
assign ((resid 9 and name HA )) ( (resid 12 and name HB1 )) 2.80 1.00 1.00
assign ((resid 11 and name HA )) ( (resid 14 and name HN )) 3.14 1.35 1.35
assign ((resid 12 and name HA )) ( (resid 15 and name HN )) 2.78 0.99 0.99
assign ((resid 12 and name HA )) ( (resid 15 and name HB2 )) 2.58 0.79 0.79
assign ((resid 12 and name HA )) ( (resid 15 and name HB1 )) 2.93 1.13 1.13
assign ((resid 13 and name HA )) ( (resid 16 and name HB2 )) 2.67 0.88 0.88
assign ((resid 13 and name HA )) ( (resid 16 and name HB1 )) 2.67 0.88 0.88
assign ((resid 14 and name HA )) ( (resid 17 and name HB2 )) 3.21 1.42 1.42
assign ((resid 15 and name HA )) ( (resid 18 and name HN )) 2.91 1.11 1.11
assign ((resid 15 and name HA )) ( (resid 18 and name HB2 )) 2.80 1.00 1.00
assign ((resid 15 and name HA )) ( (resid 18 and name HB1 )) 2.80 1.00 1.00
assign ((resid 17 and name HA )) ( (resid 19 and name HN )) 2.91 1.11 1.11
assign ((resid 27 and name HA )) ( (resid 30 and name HN )) 2.93 1.13 1.13
assign ((resid 27 and name HA )) ( (resid 30 and name HB* )) 3.49 1.70 1.70
assign ((resid 30 and name HA )) ( (resid 33 and name HN )) 2.94 1.15 1.15
assign ((resid 31 and name HA )) ( (resid 34 and name HN )) 3.02 1.22 1.22
assign ((resid 37 and name HA )) ( (resid 40 and name HN )) 2.91 1.11 1.11
assign ((resid 37 and name HA )) ( (resid 40 and name HB2 )) 2.66 0.86 0.86
assign ((resid 37 and name HA )) ( (resid 40 and name HB1 )) 2.85 1.06 1.06
assign ((resid 39 and name HA )) ( (resid 42 and name HB )) 2.82 1.02 1.02
assign ((resid 40 and name HA )) ( (resid 43 and name HB )) 2.67 0.88 0.88
assign ((resid 64 and name HA )) ( (resid 67 and name HB1 )) 2.80 1.00 1.00
assign ((resid 64 and name HA )) ( (resid 67 and name HB2 )) 2.93 1.13 1.13
assign ((resid 67 and name HA )) ( (resid 70 and name HB1 )) 2.91 1.11 1.11
assign ((resid 67 and name HA )) ( (resid 70 and name HB2 )) 2.78 0.99 0.99
assign ((resid 77 and name HA )) ( (resid 79 and name HN )) 3.52 1.72 1.72
assign ((resid 78 and name HA )) ( (resid 81 and name HN )) 2.85 1.06 1.06
assign ((resid 78 and name HA )) ( (resid 81 and name HB )) 2.67 0.88 0.88
assign ((resid 80 and name HA )) ( (resid 83 and name HB* )) 3.22 1.43 1.43
assign ((resid 81 and name HA )) ( (resid 84 and name HB1 )) 2.58 0.79 0.79
assign ((resid 85 and name HA )) ( (resid 88 and name HB )) 2.58 0.79 0.79
assign ((resid 86 and name HA )) ( (resid 89 and name HB2 )) 3.25 1.45 1.45
assign ((resid 88 and name HA )) ( (resid 91 and name HN )) 3.03 1.24 1.24
assign ((resid 88 and name HA )) ( (resid 91 and name HB )) 2.94 1.15 1.15
assign ((resid 88 and name HA )) ( (resid 92 and name HN )) 3.11 1.31 1.31
assign ((resid 101 and name HA )) ( (resid 104 and name HB )) 2.51 0.72 0.72
assign ((resid 102 and name HA )) ( (resid 105 and name HB* )) 3.29 1.50 1.50
assign ((resid 103 and name HA )) ( (resid 106 and name HN )) 2.76 0.97 0.97
assign ((resid 103 and name HA )) ( (resid 106 and name HB* )) 3.11 1.32 1.32
assign ((resid 105 and name HA )) ( (resid 108 and name HN )) 2.89 1.09 1.09
assign ((resid 106 and name HA )) ( (resid 109 and name HB* )) 3.04 1.25 1.25
assign ((resid 107 and name HA )) ( (resid 110 and name HB2 )) 2.73 0.93 0.93
assign ((resid 107 and name HA )) ( (resid 110 and name HB1 )) 2.87 1.08 1.08
assign ((resid 108 and name HA )) ( (resid 111 and name HB )) 2.96 1.17 1.17
assign ((resid 109 and name HA )) ( (resid 111 and name HN )) 3.39 1.60 1.60
assign ((resid 109 and name HA )) ( (resid 112 and name HN )) 2.69 0.90 0.90
assign ((resid 109 and name HA )) ( (resid 112 and name HB2 )) 2.62 0.82 0.82
assign ((resid 109 and name HA )) ( (resid 112 and name HB1 )) 2.62 0.82 0.82
assign ((resid 110 and name HA )) ( (resid 113 and name HN )) 2.71 0.91 0.91
assign ((resid 110 and name HA )) ( (resid 113 and name HB2 )) 2.67 0.88 0.88
assign ((resid 110 and name HA )) ( (resid 113 and name HB1 )) 3.18 1.38 1.38
assign ((resid 111 and name HA )) ( (resid 114 and name HN )) 2.80 1.00 1.00
assign ((resid 111 and name HA )) ( (resid 114 and name HB2 )) 2.66 0.86 0.86
assign ((resid 111 and name HA )) ( (resid 114 and name HB1 )) 2.91 1.11 1.11
assign ((resid 112 and name HA )) ( (resid 115 and name HB )) 2.98 1.18 1.18
assign ((resid 114 and name HA )) ( (resid 117 and name HN )) 2.71 0.91 0.91
assign ((resid 114 and name HA )) ( (resid 117 and name HB2 )) 2.87 1.08 1.08
assign ((resid 114 and name HA )) ( (resid 117 and name HB1 )) 2.85 1.06 1.06
assign ((resid 115 and name HA )) ( (resid 117 and name HN )) 2.87 1.08 1.08
assign ((resid 116 and name HA )) ( (resid 119 and name HB )) 2.46 0.66 0.66
assign ((resid 117 and name HA )) ( (resid 120 and name HB2 )) 2.98 1.18 1.18
assign ((resid 117 and name HA )) ( (resid 120 and name HB1 )) 2.98 1.18 1.18
assign ((resid 118 and name HA )) ( (resid 121 and name HB2 )) 2.80 1.00 1.00
assign ((resid 118 and name HA )) ( (resid 121 and name HB1 )) 2.80 1.00 1.00
assign ((resid 119 and name HA )) ( (resid 122 and name HB* )) 3.15 1.36 1.36
assign ((resid 5 and name HB )) ( (resid 7 and name HN )) 2.58 0.79 0.79
assign ((resid 17 and name HA )) ( (resid 20 and name HN )) 2.96 1.17 1.17
assign ((resid 17 and name HA )) ( (resid 20 and name HB1 )) 2.93 1.13 1.13
assign ((resid 17 and name HA )) ( (resid 20 and name HB2 )) 2.93 1.13 1.13
assign ((resid 14 and name HA )) ( (resid 26 and name HA )) 2.49 0.70 0.70
assign ((resid 49 and name HA )) ( (resid 52 and name HB* )) 3.51 1.72 1.72
assign ((resid 50 and name HA )) ( (resid 53 and name HB2 )) 3.14 1.35 1.35
assign ((resid 50 and name HA )) ( (resid 53 and name HB1 )) 3.14 1.35 1.35
assign ((resid 51 and name HA )) ( (resid 54 and name HB )) 2.85 1.06 1.06
assign ((resid 48 and name HB1 )) ( (resid 49 and name HN )) 2.91 1.11 1.11
assign ((resid 101 and name HA )) ( (resid 104 and name HN )) 2.62 0.82 0.82
assign ((resid 109 and name HB* )) ( (resid 110 and name HA )) 3.53 1.73 1.73
assign ((resid 73 and name HB2 )) ( (resid 77 and name HA )) 2.89 1.09 1.09
assign ((resid 48 and name HA )) ( (resid 51 and name HN )) 2.71 0.91 0.91
assign ((resid 120 and name HA )) ( (resid 123 and name HB* )) 3.33 1.53 1.53
assign ((resid 54 and name HA )) ( (resid 56 and name HN )) 2.62 0.82 0.82
assign ((resid 81 and name HA )) ( (resid 84 and name HB2 )) 2.58 0.79 0.79
assign ((resid 71 and name HB1 )) ( (resid 72 and name HN )) 2.96 1.17 1.17
assign ((resid 3 and name HA )) ( (resid 3 and name HG11 )) 2.89 1.09 1.09
assign ((resid 3 and name HA )) ( (resid 3 and name HG12 )) 2.89 1.09 1.09
assign ((resid 8 and name HA )) ( (resid 8 and name HG2 )) 2.91 1.11 1.11
assign ((resid 8 and name HA )) ( (resid 8 and name HG1 )) 2.91 1.11 1.11
assign ((resid 12 and name HN )) ( (resid 12 and name HG* )) 3.40 1.61 1.61
assign ((resid 13 and name HA )) ( (resid 13 and name HG2 )) 2.84 1.04 1.04
assign ((resid 13 and name HN )) ( (resid 13 and name HG2 )) 2.76 0.97 0.97
assign ((resid 13 and name HA )) ( (resid 13 and name HG1 )) 2.84 1.04 1.04
assign ((resid 15 and name HA )) ( (resid 15 and name HG2 )) 3.02 1.22 1.22
assign ((resid 15 and name HA )) ( (resid 15 and name HG1 )) 3.02 1.22 1.22
assign ((resid 16 and name HN )) ( (resid 16 and name HG1 )) 2.94 1.15 1.15
assign ((resid 20 and name HA )) ( (resid 20 and name HD* )) 4.18 2.38 2.38
assign ((resid 23 and name HN )) ( (resid 23 and name HG )) 2.39 0.59 0.59
assign ((resid 25 and name HN )) ( (resid 25 and name HG2 )) 2.64 0.84 0.84
assign ((resid 25 and name HA )) ( (resid 25 and name HG2 )) 2.58 0.79 0.79
assign ((resid 25 and name HN )) ( (resid 25 and name HG1 )) 2.64 0.84 0.84
assign ((resid 25 and name HA )) ( (resid 25 and name HG1 )) 2.58 0.79 0.79
assign ((resid 32 and name HN )) ( (resid 32 and name HG1 )) 3.05 1.26 1.26
assign ((resid 32 and name HA )) ( (resid 32 and name HD2 )) 3.25 1.45 1.45
assign ((resid 32 and name HA )) ( (resid 32 and name HD1 )) 3.25 1.45 1.45
assign ((resid 35 and name HA )) ( (resid 35 and name HG2 )) 2.85 1.06 1.06
assign ((resid 35 and name HA )) ( (resid 35 and name HG1 )) 2.85 1.06 1.06
assign ((resid 38 and name HA )) ( (resid 38 and name HG12 )) 2.98 1.18 1.18
assign ((resid 38 and name HA )) ( (resid 38 and name HG11 )) 2.98 1.18 1.18
assign ((resid 40 and name HB1 )) ( (resid 40 and name HG )) 2.35 0.55 0.55
assign ((resid 40 and name HA )) ( (resid 40 and name HG )) 3.02 1.22 1.22
assign ((resid 40 and name HB2 )) ( (resid 40 and name HG )) 2.35 0.55 0.55
assign ((resid 41 and name HN )) ( (resid 41 and name HG )) 2.96 1.17 1.17
assign ((resid 43 and name HA )) ( (resid 43 and name HG12 )) 2.53 0.73 0.73
assign ((resid 43 and name HA )) ( (resid 43 and name HG11 )) 2.89 1.09 1.09
assign ((resid 43 and name HN )) ( (resid 43 and name HG12 )) 2.82 1.02 1.02
assign ((resid 43 and name HN )) ( (resid 43 and name HG11 )) 2.58 0.79 0.79
assign ((resid 44 and name HA )) ( (resid 44 and name HG1 )) 2.82 1.02 1.02
assign ((resid 44 and name HN )) ( (resid 44 and name HG1 )) 3.00 1.20 1.20
assign ((resid 47 and name HB1 )) ( (resid 47 and name HG )) 2.40 0.61 0.61
assign ((resid 48 and name HA )) ( (resid 48 and name HG2 )) 2.78 0.99 0.99
assign ((resid 48 and name HA )) ( (resid 48 and name HG1 )) 2.78 0.99 0.99
assign ((resid 48 and name HA )) ( (resid 48 and name HD* )) 3.56 1.77 1.77
assign ((resid 49 and name HN )) ( (resid 49 and name HG2 )) 3.18 1.38 1.38
assign ((resid 49 and name HA )) ( (resid 49 and name HG2 )) 2.80 1.00 1.00
assign ((resid 49 and name HN )) ( (resid 49 and name HG1 )) 3.18 1.38 1.38
assign ((resid 49 and name HA )) ( (resid 49 and name HG1 )) 2.80 1.00 1.00
assign ((resid 50 and name HN )) ( (resid 50 and name HG12 )) 3.16 1.36 1.36
assign ((resid 55 and name HA )) ( (resid 55 and name HG2 )) 2.73 0.93 0.93
assign ((resid 55 and name HA )) ( (resid 55 and name HG1 )) 2.73 0.93 0.93
assign ((resid 57 and name HA )) ( (resid 57 and name HG1 )) 2.80 1.00 1.00
assign ((resid 57 and name HN )) ( (resid 57 and name HG2 )) 2.91 1.11 1.11
assign ((resid 57 and name HA )) ( (resid 57 and name HG2 )) 2.80 1.00 1.00
assign ((resid 57 and name HN )) ( (resid 57 and name HG1 )) 2.91 1.11 1.11
assign ((resid 57 and name HA )) ( (resid 57 and name HD* )) 3.38 1.59 1.59
assign ((resid 59 and name HA )) ( (resid 59 and name HD* )) 3.83 2.04 2.04
assign ((resid 63 and name HN )) ( (resid 63 and name HG* )) 3.40 1.61 1.61
assign ((resid 65 and name HA )) ( (resid 65 and name HG )) 2.93 1.13 1.13
assign ((resid 67 and name HN )) ( (resid 67 and name HG2 )) 3.34 1.54 1.54
assign ((resid 67 and name HA )) ( (resid 67 and name HG2 )) 2.76 0.97 0.97
assign ((resid 67 and name HA )) ( (resid 67 and name HG1 )) 2.76 0.97 0.97
assign ((resid 70 and name HN )) ( (resid 70 and name HG2 )) 3.25 1.45 1.45
assign ((resid 70 and name HA )) ( (resid 70 and name HG2 )) 2.85 1.06 1.06
assign ((resid 70 and name HA )) ( (resid 70 and name HG1 )) 2.85 1.06 1.06
assign ((resid 70 and name HA )) ( (resid 70 and name HD* )) 3.46 1.66 1.66
assign ((resid 71 and name HA )) ( (resid 71 and name HG )) 2.71 0.91 0.91
assign ((resid 72 and name HA )) ( (resid 72 and name HG )) 2.75 0.95 0.95
assign ((resid 73 and name HA )) ( (resid 73 and name HG2 )) 2.75 0.95 0.95
assign ((resid 73 and name HA )) ( (resid 73 and name HG1 )) 2.75 0.95 0.95
assign ((resid 73 and name HN )) ( (resid 73 and name HG2 )) 3.29 1.49 1.49
assign ((resid 73 and name HN )) ( (resid 73 and name HD* )) 3.62 1.82 1.82
assign ((resid 75 and name HA )) ( (resid 75 and name HD21 )) 3.50 1.71 1.71
assign ((resid 78 and name HN )) ( (resid 78 and name HG2 )) 2.69 0.90 0.90
assign ((resid 78 and name HA )) ( (resid 78 and name HG2 )) 2.53 0.73 0.73
assign ((resid 78 and name HN )) ( (resid 78 and name HG1 )) 2.69 0.90 0.90
assign ((resid 78 and name HA )) ( (resid 78 and name HG1 )) 2.53 0.73 0.73
assign ((resid 81 and name HA )) ( (resid 81 and name HG12 )) 2.87 1.08 1.08
assign ((resid 81 and name HN )) ( (resid 81 and name HG11 )) 2.98 1.18 1.18
assign ((resid 81 and name HA )) ( (resid 81 and name HG11 )) 2.87 1.08 1.08
assign ((resid 82 and name HA )) ( (resid 82 and name HG )) 2.85 1.06 1.06
assign ((resid 84 and name HA )) ( (resid 84 and name HG2 )) 2.93 1.13 1.13
assign ((resid 84 and name HA )) ( (resid 84 and name HG1 )) 2.93 1.13 1.13
assign ((resid 89 and name HN )) ( (resid 89 and name HG )) 3.07 1.27 1.27
assign ((resid 97 and name HA )) ( (resid 97 and name HG )) 2.75 0.95 0.95
assign ((resid 97 and name HN )) ( (resid 97 and name HG )) 3.00 1.20 1.20
assign ((resid 97 and name HB2 )) ( (resid 97 and name HG )) 2.37 0.57 0.57
assign ((resid 97 and name HB1 )) ( (resid 97 and name HG )) 2.37 0.57 0.57
assign ((resid 101 and name HN )) ( (resid 101 and name HG* )) 3.64 1.84 1.84
assign ((resid 102 and name HN )) ( (resid 102 and name HG2 )) 3.03 1.24 1.24
assign ((resid 102 and name HA )) ( (resid 102 and name HG2 )) 2.78 0.99 0.99
assign ((resid 102 and name HA )) ( (resid 102 and name HG1 )) 2.78 0.99 0.99
assign ((resid 105 and name HA )) ( (resid 105 and name HG2 )) 2.96 1.17 1.17
assign ((resid 105 and name HA )) ( (resid 105 and name HG1 )) 2.96 1.17 1.17
assign ((resid 105 and name HN )) ( (resid 105 and name HG2 )) 3.21 1.42 1.42
assign ((resid 105 and name HA )) ( (resid 105 and name HD* )) 4.19 2.40 2.40
assign ((resid 106 and name HA )) ( (resid 106 and name HG1 )) 2.57 0.77 0.77
assign ((resid 106 and name HA )) ( (resid 106 and name HG2 )) 2.57 0.77 0.77
assign ((resid 113 and name HA )) ( (resid 113 and name HG2 )) 2.91 1.11 1.11
assign ((resid 113 and name HA )) ( (resid 113 and name HG1 )) 2.91 1.11 1.11
assign ((resid 114 and name HB1 )) ( (resid 114 and name HG )) 2.19 0.39 0.39
assign ((resid 116 and name HA )) ( (resid 116 and name HG11 )) 2.80 1.00 1.00
assign ((resid 116 and name HN )) ( (resid 116 and name HG12 )) 2.75 0.95 0.95
assign ((resid 116 and name HA )) ( (resid 116 and name HG12 )) 2.80 1.00 1.00
assign ((resid 116 and name HN )) ( (resid 116 and name HG11 )) 2.75 0.95 0.95
assign ((resid 123 and name HA )) ( (resid 123 and name HG2 )) 2.58 0.79 0.79
assign ((resid 123 and name HN )) ( (resid 123 and name HG2 )) 2.85 1.06 1.06
assign ((resid 123 and name HN )) ( (resid 123 and name HG1 )) 2.85 1.06 1.06
assign ((resid 123 and name HA )) ( (resid 123 and name HG1 )) 2.58 0.79 0.79
assign ((resid 125 and name HA )) ( (resid 125 and name HD2 )) 3.41 1.62 1.62
assign ((resid 3 and name HG12 )) ( (resid 4 and name HN )) 3.07 1.27 1.27
assign ((resid 3 and name HG11 )) ( (resid 4 and name HN )) 3.07 1.27 1.27
assign ((resid 63 and name HG* )) ( (resid 64 and name HN )) 3.51 1.72 1.72
assign ((resid 70 and name HD* )) ( (resid 71 and name HN )) 3.80 2.00 2.00
assign ((resid 73 and name HD* )) ( (resid 74 and name HN )) 3.49 1.70 1.70
assign ((resid 99 and name HG )) ( (resid 100 and name HN )) 3.57 1.78 1.78
assign ((resid 101 and name HG* )) ( (resid 102 and name HN )) 3.71 1.91 1.91
assign ((resid 103 and name HG* )) ( (resid 104 and name HN )) 4.34 2.54 2.54
assign ((resid 17 and name HA )) ( (resid 20 and name HG* )) 3.60 1.81 1.81
assign ((resid 17 and name HB2 )) ( (resid 26 and name HA )) 2.96 1.17 1.17
assign ((resid 27 and name HA )) ( (resid 30 and name HD* )) 4.03 2.23 2.23
assign ((resid 10 and name HB1 )) ( (resid 33 and name HA )) 3.36 1.56 1.56
assign ((resid 10 and name HB2 )) ( (resid 33 and name HA )) 2.73 0.93 0.93
assign ((resid 41 and name HA )) ( (resid 45 and name HD22 )) 3.68 1.89 1.89
assign ((resid 42 and name HA )) ( (resid 47 and name HB2 )) 2.85 1.06 1.06
assign ((resid 42 and name HA )) ( (resid 47 and name HG )) 3.23 1.44 1.44
assign ((resid 42 and name HA )) ( (resid 47 and name HB1 )) 3.90 2.10 2.10
assign ((resid 73 and name HG1 )) ( (resid 77 and name HA )) 2.69 0.90 0.90
assign ((resid 73 and name HG2 )) ( (resid 77 and name HA )) 2.69 0.90 0.90
assign ((resid 79 and name HB )) ( (resid 80 and name HD2 )) 2.82 1.02 1.02
assign ((resid 79 and name HB )) ( (resid 80 and name HD1 )) 2.82 1.02 1.02
assign ((resid 86 and name HA )) ( (resid 89 and name HG )) 2.62 0.82 0.82
assign ((resid 89 and name HG )) ( (resid 107 and name HG )) 2.37 0.57 0.57
assign ((resid 44 and name HA )) ( (resid 44 and name HG2 )) 2.82 1.02 1.02
assign ((resid 101 and name HG* )) ( (resid 105 and name HD* )) 4.28 2.48 2.48
assign ((resid 105 and name HN )) ( (resid 105 and name HD* )) 3.73 1.93 1.93
assign ((resid 69 and name HB1 )) ( (resid 80 and name HA )) 3.11 1.31 1.31
assign ((resid 69 and name HB2 )) ( (resid 80 and name HA )) 3.11 1.31 1.31
assign ((resid 82 and name HA )) ( (resid 110 and name HB1 )) 2.98 1.18 1.18
assign ((resid 41 and name HG )) ( (resid 118 and name HA )) 2.93 1.13 1.13
assign ((resid 3 and name HG2* )) ( (resid 3 and name HD1* )) 3.17 1.38 1.38
assign ((resid 5 and name HN )) ( (resid 5 and name HG2* )) 3.13 1.33 1.33
assign ((resid 9 and name HN )) ( (resid 9 and name HG2* )) 2.81 1.01 1.01
assign ((resid 18 and name HA )) ( (resid 18 and name HD2* )) 3.38 1.59 1.59
assign ((resid 18 and name HN )) ( (resid 18 and name HD1* )) 3.70 1.91 1.91
assign ((resid 18 and name HA )) ( (resid 18 and name HD1* )) 2.75 0.96 0.96
assign ((resid 23 and name HA )) ( (resid 23 and name HD1* )) 3.40 1.60 1.60
assign ((resid 23 and name HA )) ( (resid 23 and name HD2* )) 2.79 0.99 0.99
assign ((resid 24 and name HN )) ( (resid 24 and name HG1* )) 3.33 1.53 1.53
assign ((resid 24 and name HN )) ( (resid 24 and name HG2* )) 2.77 0.97 0.97
assign ((resid 24 and name HA )) ( (resid 24 and name HG2* )) 2.77 0.97 0.97
assign ((resid 38 and name HA )) ( (resid 38 and name HD1* )) 2.81 1.01 1.01
assign ((resid 40 and name HA )) ( (resid 40 and name HD1* )) 3.00 1.21 1.21
assign ((resid 40 and name HA )) ( (resid 40 and name HD2* )) 3.07 1.28 1.28
assign ((resid 40 and name HN )) ( (resid 40 and name HD2* )) 3.45 1.66 1.66
assign ((resid 41 and name HA )) ( (resid 41 and name HD1* )) 2.84 1.05 1.05
assign ((resid 41 and name HA )) ( (resid 41 and name HD2* )) 3.16 1.37 1.37
assign ((resid 41 and name HN )) ( (resid 41 and name HD1* )) 3.53 1.73 1.73
assign ((resid 41 and name HN )) ( (resid 41 and name HD2* )) 3.63 1.84 1.84
assign ((resid 42 and name HN )) ( (resid 42 and name HG2* )) 2.95 1.15 1.15
assign ((resid 43 and name HN )) ( (resid 43 and name HG2* )) 3.29 1.50 1.50
assign ((resid 43 and name HN )) ( (resid 43 and name HD1* )) 3.36 1.57 1.57
assign ((resid 43 and name HA )) ( (resid 43 and name HD1* )) 2.93 1.14 1.14
assign ((resid 47 and name HA )) ( (resid 47 and name HD1* )) 3.17 1.37 1.37
assign ((resid 47 and name HA )) ( (resid 47 and name HD2* )) 3.06 1.26 1.26
assign ((resid 50 and name HG2* )) ( (resid 50 and name HD1* )) 3.12 1.32 1.32
assign ((resid 50 and name HN )) ( (resid 50 and name HD1* )) 3.49 1.69 1.69
assign ((resid 50 and name HA )) ( (resid 50 and name HD1* )) 2.81 1.01 1.01
assign ((resid 51 and name HN )) ( (resid 51 and name HG2* )) 2.86 1.06 1.06
assign ((resid 54 and name HN )) ( (resid 54 and name HG2* )) 3.04 1.24 1.24
assign ((resid 65 and name HA )) ( (resid 65 and name HD2* )) 2.93 1.14 1.14
assign ((resid 71 and name HN )) ( (resid 71 and name HD1* )) 3.76 1.96 1.96
assign ((resid 71 and name HN )) ( (resid 71 and name HD2* )) 3.47 1.68 1.68
assign ((resid 71 and name HA )) ( (resid 71 and name HD2* )) 2.64 0.85 0.85
assign ((resid 72 and name HA )) ( (resid 72 and name HD2* )) 2.90 1.10 1.10
assign ((resid 72 and name HN )) ( (resid 72 and name HD1* )) 3.29 1.50 1.50
assign ((resid 72 and name HA )) ( (resid 72 and name HD1* )) 3.81 2.02 2.02
assign ((resid 77 and name HN )) ( (resid 77 and name HG2* )) 2.88 1.08 1.08
assign ((resid 79 and name HA )) ( (resid 79 and name HD1* )) 3.26 1.46 1.46
assign ((resid 81 and name HN )) ( (resid 81 and name HG2* )) 3.34 1.55 1.55
assign ((resid 81 and name HA )) ( (resid 81 and name HD1* )) 3.38 1.59 1.59
assign ((resid 82 and name HN )) ( (resid 82 and name HD2* )) 3.40 1.60 1.60
assign ((resid 82 and name HA )) ( (resid 82 and name HD2* )) 2.86 1.06 1.06
assign ((resid 91 and name HN )) ( (resid 91 and name HG2* )) 2.99 1.19 1.19
assign ((resid 97 and name HA )) ( (resid 97 and name HD1* )) 3.18 1.39 1.39
assign ((resid 97 and name HN )) ( (resid 97 and name HD1* )) 3.58 1.78 1.78
assign ((resid 97 and name HN )) ( (resid 97 and name HD2* )) 3.67 1.87 1.87
assign ((resid 97 and name HA )) ( (resid 97 and name HD2* )) 2.79 0.99 0.99
assign ((resid 99 and name HN )) ( (resid 99 and name HD1* )) 3.89 2.09 2.09
assign ((resid 99 and name HA )) ( (resid 99 and name HD1* )) 3.69 1.89 1.89
assign ((resid 99 and name HA )) ( (resid 99 and name HD2* )) 2.86 1.06 1.06
assign ((resid 107 and name HA )) ( (resid 107 and name HD1* )) 3.78 1.98 1.98
assign ((resid 107 and name HA )) ( (resid 107 and name HD2* )) 2.79 0.99 0.99
assign ((resid 107 and name HN )) ( (resid 107 and name HD2* )) 3.54 1.75 1.75
assign ((resid 111 and name HN )) ( (resid 111 and name HG2* )) 2.97 1.17 1.17
assign ((resid 114 and name HA )) ( (resid 114 and name HD2* )) 3.04 1.24 1.24
assign ((resid 114 and name HA )) ( (resid 114 and name HD1* )) 2.88 1.08 1.08
assign ((resid 115 and name HN )) ( (resid 115 and name HG2* )) 2.84 1.05 1.05
assign ((resid 115 and name HN )) ( (resid 115 and name HG1* )) 3.15 1.35 1.35
assign ((resid 116 and name HA )) ( (resid 116 and name HD1* )) 3.17 1.37 1.37
assign ((resid 116 and name HN )) ( (resid 116 and name HG2* )) 3.18 1.39 1.39
assign ((resid 119 and name HN )) ( (resid 119 and name HG2* )) 2.79 0.99 0.99
assign ((resid 119 and name HA )) ( (resid 119 and name HG2* )) 2.77 0.97 0.97
assign ((resid 122 and name HA )) ( (resid 122 and name HD2* )) 3.00 1.21 1.21
assign ((resid 122 and name HA )) ( (resid 122 and name HD1* )) 3.13 1.33 1.33
assign ((resid 3 and name HG2* )) ( (resid 4 and name HN )) 3.22 1.42 1.42
assign ((resid 3 and name HD1* )) ( (resid 4 and name HN )) 4.39 2.59 2.59
assign ((resid 5 and name HG2* )) ( (resid 6 and name HN )) 3.38 1.59 1.59
assign ((resid 18 and name HD2* )) ( (resid 19 and name HN )) 3.83 2.04 2.04
assign ((resid 23 and name HD1* )) ( (resid 24 and name HN )) 3.42 1.62 1.62
assign ((resid 26 and name HB* )) ( (resid 27 and name HN )) 3.06 1.26 1.26
assign ((resid 33 and name HB* )) ( (resid 34 and name HN )) 3.04 1.24 1.24
assign ((resid 40 and name HD2* )) ( (resid 41 and name HN )) 4.35 2.56 2.56
assign ((resid 42 and name HG2* )) ( (resid 43 and name HN )) 3.56 1.77 1.77
assign ((resid 43 and name HG2* )) ( (resid 44 and name HN )) 3.40 1.60 1.60
assign ((resid 50 and name HG2* )) ( (resid 51 and name HN )) 3.56 1.77 1.77
assign ((resid 54 and name HG1* )) ( (resid 55 and name HN )) 3.42 1.62 1.62
assign ((resid 77 and name HG2* )) ( (resid 78 and name HN )) 3.76 1.96 1.96
assign ((resid 81 and name HG2* )) ( (resid 82 and name HN )) 3.49 1.69 1.69
assign ((resid 91 and name HG2* )) ( (resid 92 and name HN )) 3.58 1.78 1.78
assign ((resid 91 and name HG1* )) ( (resid 92 and name HN )) 3.69 1.89 1.89
assign ((resid 97 and name HD1* )) ( (resid 98 and name HN )) 3.35 1.55 1.55
assign ((resid 99 and name HD1* )) ( (resid 100 and name HN )) 3.53 1.73 1.73
assign ((resid 104 and name HG2* )) ( (resid 105 and name HN )) 3.33 1.53 1.53
assign ((resid 111 and name HG1* )) ( (resid 112 and name HN )) 3.90 2.11 2.11
assign ((resid 119 and name HG1* )) ( (resid 120 and name HN )) 3.49 1.69 1.69
assign ((resid 11 and name HA )) ( (resid 14 and name HB* )) 3.16 1.37 1.37
assign ((resid 23 and name HA )) ( (resid 26 and name HB* )) 2.88 1.08 1.08
assign ((resid 30 and name HA )) ( (resid 33 and name HB* )) 3.25 1.46 1.46
assign ((resid 31 and name HA )) ( (resid 34 and name HB* )) 3.29 1.50 1.50
assign ((resid 34 and name HA )) ( (resid 37 and name HB* )) 2.95 1.15 1.15
assign ((resid 37 and name HA )) ( (resid 118 and name HB* )) 2.89 1.10 1.10
assign ((resid 65 and name HA )) ( (resid 68 and name HB* )) 3.33 1.53 1.53
assign ((resid 83 and name HA )) ( (resid 86 and name HB* )) 3.20 1.41 1.41
assign ((resid 115 and name HA )) ( (resid 118 and name HB* )) 3.11 1.32 1.32
assign ((resid 4 and name HB* )) ( (resid 9 and name HG2* )) 3.68 1.88 1.88
assign ((resid 4 and name HA )) ( (resid 5 and name HG2* )) 4.41 2.61 2.61
assign ((resid 5 and name HG2* )) ( (resid 7 and name HN )) 3.90 2.11 2.11
assign ((resid 4 and name HB* )) ( (resid 5 and name HG2* )) 4.85 3.05 3.05
assign ((resid 5 and name HB )) ( (resid 40 and name HD2* )) 3.31 1.51 1.51
assign ((resid 7 and name HB* )) ( (resid 37 and name HN )) 3.20 1.41 1.41
assign ((resid 7 and name HB* )) ( (resid 37 and name HA )) 3.38 1.59 1.59
assign ((resid 7 and name HB* )) ( (resid 36 and name HB2 )) 3.25 1.46 1.46
assign ((resid 7 and name HB* )) ( (resid 36 and name HB1 )) 3.25 1.46 1.46
assign ((resid 7 and name HB* )) ( (resid 115 and name HG2* )) 3.76 1.97 1.97
assign ((resid 7 and name HB* )) ( (resid 115 and name HG1* )) 3.98 2.19 2.19
assign ((resid 8 and name HG1 )) ( (resid 115 and name HG1* )) 4.03 2.23 2.23
assign ((resid 6 and name HA )) ( (resid 9 and name HG2* )) 3.15 1.35 1.35
assign ((resid 14 and name HB* )) ( (resid 29 and name HB1 )) 3.09 1.30 1.30
assign ((resid 14 and name HB* )) ( (resid 29 and name HB2 )) 3.09 1.30 1.30
assign ((resid 14 and name HB* )) ( (resid 26 and name HA )) 3.31 1.51 1.51
assign ((resid 14 and name HB* )) ( (resid 29 and name HA )) 4.39 2.59 2.59
assign ((resid 14 and name HB* )) ( (resid 30 and name HN )) 3.22 1.42 1.42
assign ((resid 15 and name HA )) ( (resid 18 and name HD2* )) 4.16 2.36 2.36
assign ((resid 23 and name HD1* )) ( (resid 101 and name HN )) 3.26 1.46 1.46
assign ((resid 23 and name HD2* )) ( (resid 101 and name HN )) 3.99 2.20 2.20
assign ((resid 23 and name HD1* )) ( (resid 101 and name HA )) 3.08 1.28 1.28
assign ((resid 97 and name HD1* )) ( (resid 98 and name HA )) 4.34 2.54 2.54
assign ((resid 23 and name HD1* )) ( (resid 100 and name HA )) 3.44 1.64 1.64
assign ((resid 18 and name HA )) ( (resid 23 and name HD2* )) 3.60 1.80 1.80
assign ((resid 23 and name HD2* )) ( (resid 101 and name HA )) 3.04 1.24 1.24
assign ((resid 23 and name HD1* )) ( (resid 101 and name HB1 )) 3.45 1.66 1.66
assign ((resid 23 and name HD1* )) ( (resid 101 and name HB2 )) 3.45 1.66 1.66
assign ((resid 23 and name HD2* )) ( (resid 101 and name HB2 )) 3.61 1.82 1.82
assign ((resid 23 and name HD2* )) ( (resid 101 and name HB1 )) 3.61 1.82 1.82
assign ((resid 24 and name HG1* )) ( (resid 25 and name HA )) 3.69 1.89 1.89
assign ((resid 24 and name HG1* )) ( (resid 98 and name HA )) 3.33 1.53 1.53
assign ((resid 24 and name HG2* )) ( (resid 98 and name HA )) 4.33 2.54 2.54
assign ((resid 24 and name HG1* )) ( (resid 25 and name HG2 )) 3.98 2.18 2.18
assign ((resid 24 and name HG1* )) ( (resid 25 and name HG1 )) 3.98 2.18 2.18
assign ((resid 18 and name HD1* )) ( (resid 26 and name HB* )) 4.20 2.40 2.40
assign ((resid 23 and name HD2* )) ( (resid 26 and name HB* )) 4.54 2.74 2.74
assign ((resid 14 and name HB* )) ( (resid 26 and name HB* )) 4.75 2.96 2.96
assign ((resid 17 and name HB2 )) ( (resid 26 and name HB* )) 3.45 1.66 1.66
assign ((resid 17 and name HB1 )) ( (resid 26 and name HB* )) 3.34 1.55 1.55
assign ((resid 14 and name HA )) ( (resid 26 and name HB* )) 3.74 1.95 1.95
assign ((resid 18 and name HA )) ( (resid 26 and name HB* )) 3.31 1.51 1.51
assign ((resid 18 and name HN )) ( (resid 26 and name HB* )) 3.15 1.35 1.35
assign ((resid 26 and name HB* )) ( (resid 27 and name HA )) 3.69 1.89 1.89
assign ((resid 30 and name HA )) ( (resid 111 and name HG1* )) 3.81 2.02 2.02
assign ((resid 14 and name HB* )) ( (resid 30 and name HA )) 3.61 1.82 1.82
assign ((resid 31 and name HA )) ( (resid 86 and name HB* )) 3.51 1.71 1.71
assign ((resid 11 and name HN )) ( (resid 33 and name HB* )) 3.15 1.35 1.35
assign ((resid 11 and name HA )) ( (resid 33 and name HB* )) 3.33 1.53 1.53
assign ((resid 10 and name HB1 )) ( (resid 33 and name HB* )) 3.45 1.66 1.66
assign ((resid 11 and name HB1 )) ( (resid 33 and name HB* )) 3.65 1.86 1.86
assign ((resid 11 and name HB2 )) ( (resid 33 and name HB* )) 3.47 1.68 1.68
assign ((resid 10 and name HB2 )) ( (resid 33 and name HB* )) 3.33 1.53 1.53
assign ((resid 34 and name HA )) ( (resid 114 and name HD2* )) 3.60 1.80 1.80
assign ((resid 34 and name HB* )) ( (resid 111 and name HG1* )) 4.02 2.22 2.22
assign ((resid 34 and name HB* )) ( (resid 86 and name HB* )) 3.58 1.79 1.79
assign ((resid 34 and name HB* )) ( (resid 111 and name HG2* )) 4.05 2.26 2.26
assign ((resid 31 and name HE* )) ( (resid 34 and name HB* )) 4.61 2.81 2.81
assign ((resid 35 and name HG2 )) ( (resid 65 and name HD1* )) 3.69 1.89 1.89
assign ((resid 35 and name HG1 )) ( (resid 65 and name HD1* )) 3.69 1.89 1.89
assign ((resid 35 and name HG2 )) ( (resid 65 and name HD2* )) 3.92 2.13 2.13
assign ((resid 35 and name HG1 )) ( (resid 65 and name HD2* )) 3.92 2.13 2.13
assign ((resid 37 and name HA )) ( (resid 40 and name HD1* )) 3.13 1.33 1.33
assign ((resid 7 and name HB* )) ( (resid 37 and name HB* )) 3.40 1.61 1.61
assign ((resid 37 and name HB* )) ( (resid 114 and name HD1* )) 4.70 2.91 2.91
assign ((resid 37 and name HB* )) ( (resid 115 and name HG2* )) 3.98 2.19 2.19
assign ((resid 38 and name HA )) ( (resid 41 and name HD1* )) 3.08 1.28 1.28
assign ((resid 38 and name HD1* )) ( (resid 72 and name HD1* )) 3.96 2.17 2.17
assign ((resid 38 and name HD1* )) ( (resid 114 and name HD1* )) 3.91 2.11 2.11
assign ((resid 38 and name HD1* )) ( (resid 114 and name HD2* )) 4.13 2.33 2.33
assign ((resid 38 and name HD1* )) ( (resid 68 and name HB* )) 4.92 3.12 3.12
assign ((resid 38 and name HD1* )) ( (resid 83 and name HB* )) 4.49 2.69 2.69
assign ((resid 38 and name HD1* )) ( (resid 69 and name HA )) 3.42 1.62 1.62
assign ((resid 5 and name HB )) ( (resid 40 and name HD1* )) 3.58 1.78 1.78
assign ((resid 41 and name HD2* )) ( (resid 45 and name HD22 )) 3.61 1.82 1.82
assign ((resid 41 and name HD2* )) ( (resid 45 and name HD21 )) 3.61 1.82 1.82
assign ((resid 38 and name HD1* )) ( (resid 41 and name HD1* )) 4.29 2.49 2.49
assign ((resid 42 and name HG2* )) ( (resid 50 and name HG2* )) 3.80 2.01 2.01
assign ((resid 38 and name HG2* )) ( (resid 42 and name HG2* )) 3.94 2.15 2.15
assign ((resid 42 and name HA )) ( (resid 47 and name HD1* )) 3.13 1.33 1.33
assign ((resid 42 and name HG1* )) ( (resid 50 and name HB )) 3.11 1.32 1.32
assign ((resid 42 and name HG1* )) ( (resid 47 and name HB2 )) 2.95 1.15 1.15
assign ((resid 42 and name HG2* )) ( (resid 50 and name HB )) 3.94 2.14 2.14
assign ((resid 42 and name HG2* )) ( (resid 47 and name HB2 )) 3.54 1.75 1.75
assign ((resid 39 and name HA )) ( (resid 42 and name HG2* )) 3.54 1.75 1.75
assign ((resid 42 and name HG2* )) ( (resid 60 and name HZ3 )) 3.96 2.16 2.16
assign ((resid 81 and name HN )) ( (resid 81 and name HD1* )) 3.49 1.69 1.69
assign ((resid 40 and name HA )) ( (resid 43 and name HD1* )) 3.38 1.59 1.59
assign ((resid 43 and name HG2* )) ( (resid 44 and name HA )) 3.27 1.48 1.48
assign ((resid 42 and name HG1* )) ( (resid 43 and name HA )) 3.38 1.59 1.59
assign ((resid 42 and name HG1* )) ( (resid 47 and name HB1 )) 3.54 1.75 1.75
assign ((resid 42 and name HG1* )) ( (resid 47 and name HG )) 3.83 2.04 2.04
assign ((resid 42 and name HB )) ( (resid 47 and name HD1* )) 3.99 2.20 2.20
assign ((resid 42 and name HG1* )) ( (resid 50 and name HG2* )) 3.87 2.08 2.08
assign ((resid 50 and name HD1* )) ( (resid 67 and name HB1 )) 2.99 1.19 1.19
assign ((resid 50 and name HD1* )) ( (resid 67 and name HG2 )) 3.35 1.55 1.55
assign ((resid 50 and name HD1* )) ( (resid 68 and name HB* )) 3.80 2.01 2.01
assign ((resid 50 and name HD1* )) ( (resid 68 and name HA )) 3.08 1.28 1.28
assign ((resid 50 and name HD1* )) ( (resid 68 and name HN )) 3.31 1.51 1.51
assign ((resid 50 and name HG2* )) ( (resid 51 and name HA )) 4.26 2.47 2.47
assign ((resid 50 and name HG2* )) ( (resid 54 and name HG2* )) 4.92 3.12 3.12
assign ((resid 51 and name HA )) ( (resid 54 and name HG2* )) 3.38 1.59 1.59
assign ((resid 54 and name HG1* )) ( (resid 60 and name HA )) 3.79 2.00 2.00
assign ((resid 54 and name HG2* )) ( (resid 60 and name HA )) 4.05 2.25 2.25
assign ((resid 65 and name HD2* )) ( (resid 83 and name HZ2 )) 3.17 1.37 1.37
assign ((resid 68 and name HA )) ( (resid 71 and name HD1* )) 3.20 1.41 1.41
assign ((resid 38 and name HG2* )) ( (resid 68 and name HB* )) 3.84 2.04 2.04
assign ((resid 69 and name HA )) ( (resid 72 and name HD1* )) 3.58 1.78 1.78
assign ((resid 69 and name HA )) ( (resid 79 and name HG2* )) 3.27 1.48 1.48
assign ((resid 38 and name HG2* )) ( (resid 72 and name HD1* )) 4.02 2.22 2.22
assign ((resid 47 and name HD1* )) ( (resid 72 and name HA )) 3.58 1.78 1.78
assign ((resid 38 and name HA )) ( (resid 72 and name HD1* )) 3.61 1.82 1.82
assign ((resid 75 and name HB2 )) ( (resid 79 and name HD1* )) 3.36 1.57 1.57
assign ((resid 75 and name HB1 )) ( (resid 79 and name HD1* )) 3.36 1.57 1.57
assign ((resid 76 and name HB1 )) ( (resid 79 and name HD1* )) 3.44 1.64 1.64
assign ((resid 76 and name HA )) ( (resid 77 and name HG2* )) 3.67 1.87 1.87
assign ((resid 78 and name HB2 )) ( (resid 82 and name HD1* )) 3.56 1.77 1.77
assign ((resid 78 and name HB1 )) ( (resid 82 and name HD1* )) 3.47 1.68 1.68
assign ((resid 78 and name HB1 )) ( (resid 82 and name HD2* )) 3.81 2.02 2.02
assign ((resid 78 and name HG2 )) ( (resid 82 and name HD1* )) 4.01 2.22 2.22
assign ((resid 78 and name HG1 )) ( (resid 82 and name HD1* )) 4.01 2.22 2.22
assign ((resid 79 and name HD1* )) ( (resid 117 and name HE* )) 5.47 3.68 3.68
assign ((resid 79 and name HD1* )) ( (resid 117 and name HD* )) 5.17 3.37 3.37
assign ((resid 76 and name HB2 )) ( (resid 79 and name HD1* )) 3.44 1.64 1.64
assign ((resid 34 and name HB* )) ( (resid 114 and name HD1* )) 4.09 2.29 2.29
assign ((resid 38 and name HD1* )) ( (resid 79 and name HG2* )) 3.86 2.06 2.06
assign ((resid 81 and name HG2* )) ( (resid 82 and name HA )) 3.85 2.05 2.05
assign ((resid 78 and name HA )) ( (resid 81 and name HG2* )) 3.83 2.04 2.04
assign ((resid 78 and name HA )) ( (resid 81 and name HD1* )) 3.06 1.26 1.26
assign ((resid 81 and name HG2* )) ( (resid 82 and name HG )) 3.45 1.66 1.66
assign ((resid 79 and name HA )) ( (resid 82 and name HD1* )) 3.29 1.50 1.50
assign ((resid 82 and name HD2* )) ( (resid 110 and name HA )) 2.98 1.19 1.19
assign ((resid 82 and name HD1* )) ( (resid 114 and name HN )) 3.63 1.84 1.84
assign ((resid 86 and name HA )) ( (resid 111 and name HG2* )) 3.65 1.86 1.86
assign ((resid 34 and name HB* )) ( (resid 86 and name HA )) 4.30 2.50 2.50
assign ((resid 88 and name HA )) ( (resid 91 and name HG2* )) 3.38 1.59 1.59
assign ((resid 97 and name HD1* )) ( (resid 99 and name HN )) 3.87 2.07 2.07
assign ((resid 89 and name HA )) ( (resid 99 and name HD1* )) 3.33 1.53 1.53
assign ((resid 101 and name HA )) ( (resid 104 and name HG2* )) 3.25 1.46 1.46
assign ((resid 101 and name HG* )) ( (resid 104 and name HG2* )) 4.06 2.26 2.26
assign ((resid 23 and name HD1* )) ( (resid 101 and name HG* )) 4.34 2.55 2.55
assign ((resid 23 and name HD2* )) ( (resid 101 and name HG* )) 4.15 2.35 2.35
assign ((resid 104 and name HA )) ( (resid 107 and name HD2* )) 3.04 1.24 1.24
assign ((resid 106 and name HE* )) ( (resid 107 and name HD2* )) 4.11 2.31 2.31
assign ((resid 82 and name HD2* )) ( (resid 113 and name HE* )) 3.73 1.94 1.94
assign ((resid 82 and name HD1* )) ( (resid 113 and name HE* )) 4.09 2.30 2.30
assign ((resid 82 and name HD2* )) ( (resid 110 and name HB2 )) 3.61 1.82 1.82
assign ((resid 33 and name HB* )) ( (resid 111 and name HG1* )) 3.96 2.17 2.17
assign ((resid 30 and name HB* )) ( (resid 111 and name HG2* )) 4.00 2.21 2.21
assign ((resid 108 and name HA )) ( (resid 111 and name HG2* )) 3.31 1.51 1.51
assign ((resid 30 and name HB* )) ( (resid 111 and name HG1* )) 4.34 2.55 2.55
assign ((resid 34 and name HA )) ( (resid 111 and name HG1* )) 3.65 1.86 1.86
assign ((resid 34 and name HN )) ( (resid 111 and name HG1* )) 3.40 1.60 1.60
assign ((resid 31 and name HN )) ( (resid 111 and name HG2* )) 4.41 2.61 2.61
assign ((resid 86 and name HN )) ( (resid 111 and name HG2* )) 4.32 2.52 2.52
assign ((resid 11 and name HE* )) ( (resid 111 and name HG2* )) 5.47 3.68 3.68
assign ((resid 112 and name HA )) ( (resid 115 and name HG2* )) 3.63 1.84 1.84
assign ((resid 82 and name HD2* )) ( (resid 113 and name HB2 )) 3.96 2.16 2.16
assign ((resid 82 and name HD2* )) ( (resid 113 and name HB1 )) 3.83 2.04 2.04
assign ((resid 82 and name HD1* )) ( (resid 113 and name HB1 )) 3.69 1.89 1.89
assign ((resid 111 and name HG2* )) ( (resid 114 and name HB2 )) 4.21 2.41 2.41
assign ((resid 82 and name HD1* )) ( (resid 114 and name HB2 )) 3.85 2.05 2.05
assign ((resid 23 and name HD2* )) ( (resid 104 and name HB )) 3.85 2.05 2.05
assign ((resid 37 and name HB* )) ( (resid 115 and name HA )) 2.89 1.10 1.10
assign ((resid 7 and name HB* )) ( (resid 115 and name HA )) 3.72 1.93 1.93
assign ((resid 33 and name HB* )) ( (resid 115 and name HG2* )) 4.23 2.44 2.44
assign ((resid 37 and name HB* )) ( (resid 115 and name HG1* )) 4.70 2.91 2.91
assign ((resid 8 and name HA )) ( (resid 115 and name HG1* )) 3.22 1.42 1.42
assign ((resid 116 and name HG2* )) ( (resid 120 and name HD22 )) 3.18 1.39 1.39
assign ((resid 116 and name HG2* )) ( (resid 120 and name HD21 )) 3.18 1.39 1.39
assign ((resid 113 and name HA )) ( (resid 116 and name HD1* )) 3.24 1.44 1.44
assign ((resid 116 and name HG2* )) ( (resid 117 and name HA )) 3.63 1.84 1.84
assign ((resid 41 and name HN )) ( (resid 118 and name HB* )) 3.63 1.84 1.84
assign ((resid 41 and name HD1* )) ( (resid 118 and name HA )) 2.82 1.03 1.03
assign ((resid 115 and name HG2* )) ( (resid 118 and name HB* )) 4.11 2.31 2.31
assign ((resid 115 and name HG1* )) ( (resid 119 and name HG2* )) 3.85 2.06 2.06
assign ((resid 116 and name HA )) ( (resid 119 and name HG2* )) 3.18 1.39 1.39
assign ((resid 119 and name HA )) ( (resid 122 and name HD1* )) 3.27 1.48 1.48
assign ((resid 5 and name HG2* )) ( (resid 122 and name HD1* )) 4.72 2.92 2.92
assign ((resid 5 and name HG2* )) ( (resid 122 and name HD2* )) 4.83 3.03 3.03
assign ((resid 8 and name HG2 )) ( (resid 115 and name HG1* )) 4.03 2.23 2.23
assign ((resid 37 and name HN )) ( (resid 115 and name HG2* )) 3.74 1.95 1.95
assign ((resid 50 and name HD1* )) ( (resid 67 and name HB2 )) 3.58 1.78 1.78
assign ((resid 85 and name HA )) ( (resid 107 and name HD2* )) 3.15 1.35 1.35
assign ((resid 86 and name HB* )) ( (resid 111 and name HG2* )) 4.03 2.24 2.24
assign ((resid 82 and name HD1* )) ( (resid 113 and name HB2 )) 3.44 1.64 1.64
assign ((resid 34 and name HB* )) ( (resid 114 and name HD2* )) 3.94 2.15 2.15
assign ((resid 41 and name HD1* )) ( (resid 114 and name HA )) 3.29 1.50 1.50
assign ((resid 82 and name HD1* )) ( (resid 114 and name HA )) 3.56 1.77 1.77
assign ((resid 37 and name HB* )) ( (resid 114 and name HD2* )) 4.41 2.62 2.62
assign ((resid 83 and name HA )) ( (resid 114 and name HD2* )) 3.90 2.11 2.11
assign ((resid 83 and name HA )) ( (resid 114 and name HD1* )) 4.10 2.31 2.31
assign ((resid 49 and name HG1 )) ( (resid 71 and name HD1* )) 3.71 1.91 1.91
assign ((resid 49 and name HG2 )) ( (resid 71 and name HD1* )) 3.71 1.91 1.91
assign ((resid 50 and name HD1* )) ( (resid 67 and name HG1 )) 3.35 1.55 1.55
assign ((resid 82 and name HD2* )) ( (resid 110 and name HB1 )) 3.25 1.46 1.46
assign ((resid 87 and name HE1 )) ( (resid 91 and name HG2* )) 3.33 1.53 1.53
assign ((resid 37 and name HA )) ( (resid 40 and name HD2* )) 3.47 1.68 1.68
assign ((resid 88 and name HB )) ( (resid 107 and name HD2* )) 3.20 1.41 1.41
assign ((resid 89 and name HD1* )) ( (resid 111 and name HG2* )) 4.32 2.53 2.53
assign ((resid 41 and name HD1* )) ( (resid 118 and name HB* )) 3.80 2.01 2.01
assign ((resid 115 and name HG1* )) ( (resid 118 and name HB* )) 4.92 3.12 3.12
assign ((resid 40 and name HB2 )) ( (resid 118 and name HB* )) 3.07 1.28 1.28
assign ((resid 119 and name HG1* )) ( (resid 120 and name HA )) 3.71 1.91 1.91
assign ((resid 104 and name HA )) ( (resid 107 and name HD1* )) 3.92 2.13 2.13
assign ((resid 82 and name HD2* )) ( (resid 114 and name HB2 )) 4.24 2.45 2.45
assign ((resid 89 and name HD2* )) ( (resid 111 and name HG2* )) 4.32 2.53 2.53
assign ((resid 111 and name HG2* )) ( (resid 114 and name HD1* )) 3.87 2.08 2.08
assign ((resid 7 and name HB* )) ( (resid 40 and name HD1* )) 4.75 2.96 2.96
assign ((resid 30 and name HB* )) ( (resid 33 and name HB* )) 4.36 2.57 2.57
assign ((resid 7 and name HB* )) ( (resid 33 and name HB* )) 4.14 2.35 2.35
assign ((resid 33 and name HB* )) ( (resid 111 and name HG2* )) 4.92 3.12 3.12
assign ((resid 45 and name HD22 )) ( (resid 72 and name HD2* )) 3.65 1.86 1.86
assign ((resid 42 and name HA )) ( (resid 72 and name HD2* )) 3.44 1.64 1.64
assign ((resid 50 and name HG2* )) ( (resid 68 and name HB* )) 4.00 2.20 2.20
assign ((resid 18 and name HD1* )) ( (resid 101 and name HG* )) 3.97 2.17 2.17
assign ((resid 40 and name HD2* )) ( (resid 118 and name HB* )) 4.05 2.26 2.26
assign ((resid 18 and name HD1* )) ( (resid 23 and name HA )) 3.18 1.39 1.39
assign ((resid 82 and name HD2* )) ( (resid 114 and name HD1* )) 3.78 1.99 1.99
assign ((resid 45 and name HD21 )) ( (resid 72 and name HD2* )) 3.65 1.86 1.86
assign ((resid 50 and name HN )) ( (resid 51 and name HG2* )) 3.58 1.78 1.78
assign ((resid 115 and name HG2* )) ( (resid 116 and name HN )) 3.56 1.77 1.77
assign ((resid 60 and name HB2 )) ( (resid 60 and name HD1 )) 2.69 0.90 0.90
assign ((resid 83 and name HA )) ( (resid 83 and name HE3 )) 2.33 0.54 0.54
assign ((resid 83 and name HA )) ( (resid 83 and name HZ3 )) 3.14 1.35 1.35
assign ((resid 35 and name HA )) ( (resid 83 and name HZ3 )) 2.37 0.57 0.57
assign ((resid 87 and name HB2 )) ( (resid 87 and name HD1 )) 2.66 0.86 0.86
assign ((resid 87 and name HA )) ( (resid 87 and name HE3 )) 2.62 0.82 0.82
assign ((resid 117 and name HD* )) ( (resid 118 and name HN )) 4.64 2.84 2.84
assign ((resid 7 and name HA )) ( (resid 10 and name HD* )) 3.86 2.07 2.07
assign ((resid 10 and name HD* )) ( (resid 33 and name HN )) 4.12 2.32 2.32
assign ((resid 10 and name HD* )) ( (resid 36 and name HG1 )) 3.72 1.92 1.92
assign ((resid 10 and name HD* )) ( (resid 36 and name HB2 )) 4.33 2.54 2.54
assign ((resid 10 and name HD* )) ( (resid 36 and name HB1 )) 4.33 2.54 2.54
assign ((resid 10 and name HD* )) ( (resid 32 and name HB2 )) 3.92 2.12 2.12
assign ((resid 10 and name HD* )) ( (resid 32 and name HB1 )) 3.92 2.12 2.12
assign ((resid 11 and name HD* )) ( (resid 12 and name HN )) 3.99 2.19 2.19
assign ((resid 11 and name HD* )) ( (resid 12 and name HA )) 4.21 2.41 2.41
assign ((resid 11 and name HD* )) ( (resid 12 and name HG* )) 5.40 3.61 3.61
assign ((resid 10 and name HE* )) ( (resid 36 and name HG1 )) 3.85 2.05 2.05
assign ((resid 11 and name HE* )) ( (resid 112 and name HN )) 3.76 1.96 1.96
assign ((resid 11 and name HE* )) ( (resid 112 and name HA )) 4.14 2.34 2.34
assign ((resid 31 and name HD* )) ( (resid 86 and name HA )) 4.96 3.17 3.17
assign ((resid 31 and name HE* )) ( (resid 83 and name HH2 )) 3.51 1.71 1.71
assign ((resid 31 and name HD* )) ( (resid 32 and name HN )) 4.21 2.41 2.41
assign ((resid 31 and name HE* )) ( (resid 87 and name HE3 )) 3.51 1.71 1.71
assign ((resid 31 and name HE* )) ( (resid 87 and name HA )) 3.79 2.00 2.00
assign ((resid 31 and name HE* )) ( (resid 35 and name HG2 )) 4.62 2.83 2.83
assign ((resid 31 and name HE* )) ( (resid 35 and name HG1 )) 4.62 2.83 2.83
assign ((resid 63 and name HA )) ( (resid 66 and name HD* )) 4.46 2.66 2.66
assign ((resid 66 and name HN )) ( (resid 66 and name HE* )) 4.96 3.17 3.17
assign ((resid 17 and name HD* )) ( (resid 18 and name HN )) 4.87 3.08 3.08
assign ((resid 10 and name HD* )) ( (resid 36 and name HG2 )) 3.72 1.92 1.92
assign ((resid 10 and name HE* )) ( (resid 32 and name HE* )) 4.60 2.80 2.80
assign ((resid 10 and name HE* )) ( (resid 36 and name HG2 )) 3.85 2.05 2.05
assign ((resid 17 and name HE* )) ( (resid 25 and name HB2 )) 3.79 2.00 2.00
assign ((resid 17 and name HE* )) ( (resid 25 and name HB1 )) 4.06 2.27 2.27
assign ((resid 14 and name HA )) ( (resid 17 and name HD* )) 3.94 2.14 2.14
assign ((resid 17 and name HD* )) ( (resid 22 and name HB2 )) 4.37 2.57 2.57
assign ((resid 17 and name HD* )) ( (resid 22 and name HB1 )) 4.37 2.57 2.57
assign ((resid 39 and name HA )) ( (resid 60 and name HH2 )) 2.76 0.97 0.97
assign ((resid 43 and name HG12 )) ( (resid 60 and name HZ2 )) 2.87 1.08 1.08
assign ((resid 42 and name HB )) ( (resid 60 and name HH2 )) 2.66 0.86 0.86
assign ((resid 60 and name HE3 )) ( (resid 65 and name HG )) 3.16 1.36 1.36
assign ((resid 35 and name HA )) ( (resid 83 and name HE3 )) 2.94 1.15 1.15
assign ((resid 35 and name HA )) ( (resid 83 and name HH2 )) 2.66 0.86 0.86
assign ((resid 65 and name HB1 )) ( (resid 83 and name HZ2 )) 2.51 0.72 0.72
assign ((resid 65 and name HB1 )) ( (resid 83 and name HH2 )) 2.98 1.18 1.18
assign ((resid 10 and name HD* )) ( (resid 33 and name HA )) 3.90 2.10 2.10
assign ((resid 31 and name HD* )) ( (resid 32 and name HA )) 4.53 2.73 2.73
assign ((resid 17 and name HD* )) ( (resid 26 and name HA )) 4.75 2.95 2.95
assign ((resid 10 and name HD* )) ( (resid 33 and name HB* )) 4.17 2.38 2.38
assign ((resid 9 and name HG2* )) ( (resid 10 and name HD* )) 4.90 3.10 3.10
assign ((resid 9 and name HG1* )) ( (resid 10 and name HD* )) 4.55 2.76 2.76
assign ((resid 11 and name HD* )) ( (resid 33 and name HB* )) 4.35 2.56 2.56
assign ((resid 11 and name HD* )) ( (resid 111 and name HG1* )) 4.05 2.25 2.25
assign ((resid 11 and name HD* )) ( (resid 115 and name HG2* )) 4.21 2.42 2.42
assign ((resid 11 and name HE* )) ( (resid 33 and name HB* )) 5.33 3.53 3.53
assign ((resid 11 and name HE* )) ( (resid 111 and name HG1* )) 4.14 2.35 2.35
assign ((resid 11 and name HE* )) ( (resid 115 and name HG2* )) 4.36 2.56 2.56
assign ((resid 31 and name HD* )) ( (resid 34 and name HB* )) 5.09 3.30 3.30
assign ((resid 31 and name HD* )) ( (resid 86 and name HB* )) 4.17 2.38 2.38
assign ((resid 31 and name HE* )) ( (resid 86 and name HB* )) 4.52 2.72 2.72
assign ((resid 41 and name HD1* )) ( (resid 117 and name HE* )) 4.18 2.38 2.38
assign ((resid 87 and name HD1 )) ( (resid 91 and name HG2* )) 3.20 1.41 1.41
assign ((resid 11 and name HD* )) ( (resid 115 and name HG1* )) 4.98 3.19 3.19
assign ((resid 41 and name HD1* )) ( (resid 117 and name HD* )) 3.98 2.18 2.18
assign ((resid 41 and name HD2* )) ( (resid 117 and name HD* )) 4.10 2.31 2.31
assign ((resid 41 and name HD2* )) ( (resid 117 and name HE* )) 4.23 2.44 2.44
assign ((resid 60 and name HZ3 )) ( (resid 68 and name HB* )) 3.99 2.20 2.20
assign ((resid 42 and name HG1* )) ( (resid 60 and name HH2 )) 2.79 0.99 0.99
assign ((resid 43 and name HD1* )) ( (resid 60 and name HH2 )) 3.67 1.87 1.87
assign ((resid 50 and name HG2* )) ( (resid 60 and name HH2 )) 3.09 1.30 1.30
assign ((resid 42 and name HG1* )) ( (resid 60 and name HZ2 )) 3.20 1.41 1.41
assign ((resid 43 and name HD1* )) ( (resid 60 and name HZ2 )) 3.13 1.33 1.33
assign ((resid 54 and name HG1* )) ( (resid 60 and name HZ2 )) 3.69 1.89 1.89
assign ((resid 54 and name HG2* )) ( (resid 60 and name HZ2 )) 3.36 1.57 1.57
assign ((resid 42 and name HG1* )) ( (resid 60 and name HZ3 )) 3.15 1.35 1.35
assign ((resid 50 and name HG2* )) ( (resid 60 and name HZ3 )) 3.13 1.33 1.33
assign ((resid 60 and name HZ3 )) ( (resid 65 and name HD2* )) 3.40 1.60 1.60
assign ((resid 60 and name HE3 )) ( (resid 65 and name HD1* )) 3.54 1.75 1.75
assign ((resid 50 and name HG2* )) ( (resid 60 and name HE3 )) 3.92 2.13 2.13
assign ((resid 60 and name HE3 )) ( (resid 65 and name HD2* )) 3.09 1.30 1.30
assign ((resid 54 and name HG1* )) ( (resid 60 and name HD1 )) 3.27 1.48 1.48
assign ((resid 11 and name HE* )) ( (resid 115 and name HG1* )) 4.74 2.94 2.94
assign ((resid 87 and name HZ2 )) ( (resid 91 and name HG1* )) 3.65 1.86 1.86
assign ((resid 87 and name HZ2 )) ( (resid 91 and name HG2* )) 3.18 1.39 1.39
assign ((resid 34 and name HB* )) ( (resid 83 and name HE3 )) 2.95 1.15 1.15
assign ((resid 38 and name HD1* )) ( (resid 83 and name HE3 )) 3.40 1.60 1.60
assign ((resid 34 and name HB* )) ( (resid 83 and name HZ3 )) 2.89 1.10 1.10
assign ((resid 38 and name HD1* )) ( (resid 83 and name HZ3 )) 3.53 1.73 1.73
assign ((resid 65 and name HD1* )) ( (resid 83 and name HZ2 )) 3.09 1.30 1.30
assign ((resid 65 and name HD1* )) ( (resid 83 and name HH2 )) 2.86 1.06 1.06
assign ((resid 65 and name HD2* )) ( (resid 83 and name HH2 )) 3.31 1.51 1.51
assign ((resid 42 and name HG2* )) ( (resid 60 and name HH2 )) 2.80 1.01 1.01
assign ((resid 51 and name HG2* )) ( (resid 60 and name HZ2 )) 3.11 1.32 1.32
assign ((resid 3 and name HA )) ( (resid 3 and name HG1* )) 2.74 0.95 0.95
assign ((resid 3 and name HG1* )) ( (resid 4 and name HN )) 2.99 1.19 1.19
assign ((resid 6 and name HN )) ( (resid 6 and name HB* )) 2.69 0.89 0.89
assign ((resid 6 and name HB* )) ( (resid 10 and name HD* )) 4.93 3.14 3.14
assign ((resid 6 and name HB* )) ( (resid 10 and name HE* )) 4.38 2.58 2.58
assign ((resid 7 and name HA )) ( (resid 36 and name HB* )) 3.47 1.68 1.68
assign ((resid 7 and name HB* )) ( (resid 36 and name HB* )) 3.16 1.36 1.36
assign ((resid 8 and name HN )) ( (resid 8 and name HG* )) 2.77 0.97 0.97
assign ((resid 8 and name HA )) ( (resid 8 and name HG* )) 2.80 1.01 1.01
assign ((resid 8 and name HG* )) ( (resid 9 and name HN )) 4.34 2.54 2.54
assign ((resid 8 and name HG* )) ( (resid 115 and name HG1* )) 3.75 1.96 1.96
assign ((resid 8 and name HG* )) ( (resid 119 and name HG2* )) 3.66 1.86 1.86
assign ((resid 9 and name HA )) ( (resid 12 and name HB* )) 2.68 0.89 0.89
assign ((resid 10 and name HD* )) ( (resid 32 and name HB* )) 3.83 2.04 2.04
assign ((resid 10 and name HD* )) ( (resid 32 and name HD* )) 4.39 2.60 2.60
assign ((resid 10 and name HD* )) ( (resid 36 and name HB* )) 4.17 2.38 2.38
assign ((resid 10 and name HD* )) ( (resid 36 and name HG* )) 3.61 1.82 1.82
assign ((resid 10 and name HE* )) ( (resid 32 and name HD* )) 4.31 2.51 2.51
assign ((resid 10 and name HE* )) ( (resid 36 and name HG* )) 3.66 1.87 1.87
assign ((resid 11 and name HE* )) ( (resid 15 and name HG* )) 4.32 2.53 2.53
assign ((resid 11 and name HE* )) ( (resid 112 and name HB* )) 4.13 2.33 2.33
assign ((resid 11 and name HE* )) ( (resid 112 and name HG* )) 4.40 2.60 2.60
assign ((resid 13 and name HN )) ( (resid 13 and name HB* )) 2.66 0.86 0.86
assign ((resid 13 and name HN )) ( (resid 13 and name HG* )) 2.64 0.84 0.84
assign ((resid 13 and name HA )) ( (resid 13 and name HG* )) 2.67 0.87 0.87
assign ((resid 13 and name HA )) ( (resid 16 and name HB* )) 2.58 0.79 0.79
assign ((resid 13 and name HB* )) ( (resid 14 and name HN )) 2.67 0.87 0.87
assign ((resid 13 and name HG* )) ( (resid 14 and name HN )) 3.66 1.87 1.87
assign ((resid 14 and name HN )) ( (resid 29 and name HB* )) 3.53 1.73 1.73
assign ((resid 14 and name HA )) ( (resid 29 and name HB* )) 3.53 1.73 1.73
assign ((resid 14 and name HB* )) ( (resid 29 and name HB* )) 2.98 1.18 1.18
assign ((resid 15 and name HA )) ( (resid 15 and name HG* )) 2.75 0.95 0.95
assign ((resid 15 and name HA )) ( (resid 18 and name HB* )) 2.64 0.84 0.84
assign ((resid 15 and name HG* )) ( (resid 16 and name HN )) 3.73 1.93 1.93
assign ((resid 16 and name HN )) ( (resid 16 and name HG* )) 2.73 0.93 0.93
assign ((resid 16 and name HA )) ( (resid 16 and name HG* )) 2.77 0.98 0.98
assign ((resid 16 and name HB* )) ( (resid 17 and name HN )) 2.62 0.82 0.82
assign ((resid 16 and name HG* )) ( (resid 17 and name HN )) 4.10 2.31 2.31
assign ((resid 17 and name HA )) ( (resid 20 and name HB* )) 2.78 0.98 0.98
assign ((resid 17 and name HA )) ( (resid 22 and name HB* )) 4.34 2.54 2.54
assign ((resid 17 and name HD* )) ( (resid 22 and name HB* )) 4.23 2.44 2.44
assign ((resid 17 and name HD* )) ( (resid 29 and name HG* )) 4.38 2.58 2.58
assign ((resid 17 and name HE* )) ( (resid 29 and name HG* )) 4.41 2.62 2.62
assign ((resid 18 and name HN )) ( (resid 18 and name HB* )) 2.60 0.81 0.81
assign ((resid 18 and name HB* )) ( (resid 19 and name HN )) 2.72 0.93 0.93
assign ((resid 18 and name HB* )) ( (resid 26 and name HB* )) 4.22 2.42 2.42
assign ((resid 20 and name HN )) ( (resid 20 and name HB* )) 2.53 0.73 0.73
assign ((resid 20 and name HB* )) ( (resid 22 and name HN )) 3.12 1.32 1.32
assign ((resid 22 and name HN )) ( (resid 22 and name HB* )) 2.52 0.72 0.72
assign ((resid 23 and name HD1* )) ( (resid 101 and name HB* )) 3.35 1.56 1.56
assign ((resid 23 and name HD2* )) ( (resid 101 and name HB* )) 3.46 1.67 1.67
assign ((resid 24 and name HA )) ( (resid 27 and name HB* )) 3.17 1.37 1.37
assign ((resid 24 and name HG1* )) ( (resid 25 and name HG* )) 3.90 2.11 2.11
assign ((resid 25 and name HN )) ( (resid 25 and name HG* )) 2.52 0.73 0.73
assign ((resid 25 and name HA )) ( (resid 25 and name HG* )) 2.50 0.70 0.70
assign ((resid 25 and name HA )) ( (resid 25 and name HE2* )) 4.33 2.53 2.53
assign ((resid 25 and name HG* )) ( (resid 26 and name HN )) 4.34 2.54 2.54
assign ((resid 26 and name HA )) ( (resid 29 and name HB* )) 3.17 1.37 1.37
assign ((resid 26 and name HB* )) ( (resid 27 and name HB* )) 4.63 2.84 2.84
assign ((resid 27 and name HN )) ( (resid 27 and name HB* )) 2.56 0.77 0.77
assign ((resid 27 and name HA )) ( (resid 89 and name HD* )) 4.57 2.77 2.77
assign ((resid 27 and name HB* )) ( (resid 28 and name HN )) 2.88 1.09 1.09
assign ((resid 28 and name HN )) ( (resid 28 and name HG* )) 3.42 1.63 1.63
assign ((resid 29 and name HB* )) ( (resid 30 and name HN )) 3.02 1.23 1.23
assign ((resid 31 and name HN )) ( (resid 31 and name HB* )) 2.55 0.76 0.76
assign ((resid 31 and name HD* )) ( (resid 35 and name HG* )) 4.32 2.53 2.53
assign ((resid 31 and name HE* )) ( (resid 35 and name HB* )) 4.99 3.20 3.20
assign ((resid 31 and name HE* )) ( (resid 35 and name HG* )) 4.43 2.63 2.63
assign ((resid 32 and name HN )) ( (resid 32 and name HB* )) 2.63 0.83 0.83
assign ((resid 32 and name HN )) ( (resid 32 and name HG* )) 2.98 1.18 1.18
assign ((resid 32 and name HA )) ( (resid 32 and name HG* )) 2.89 1.10 1.10
assign ((resid 32 and name HA )) ( (resid 32 and name HD* )) 3.17 1.38 1.38
assign ((resid 32 and name HA )) ( (resid 35 and name HB* )) 3.31 1.52 1.52
assign ((resid 32 and name HB* )) ( (resid 33 and name HN )) 2.83 1.03 1.03
assign ((resid 33 and name HA )) ( (resid 36 and name HB* )) 3.35 1.55 1.55
assign ((resid 35 and name HN )) ( (resid 35 and name HB* )) 2.75 0.95 0.95
assign ((resid 35 and name HN )) ( (resid 35 and name HG* )) 2.95 1.16 1.16
assign ((resid 35 and name HA )) ( (resid 35 and name HG* )) 2.76 0.96 0.96
assign ((resid 35 and name HB* )) ( (resid 83 and name HZ2 )) 3.11 1.32 1.32
assign ((resid 35 and name HB* )) ( (resid 83 and name HH2 )) 3.10 1.30 1.30
assign ((resid 35 and name HG* )) ( (resid 36 and name HN )) 3.67 1.88 1.88
assign ((resid 35 and name HG* )) ( (resid 65 and name HD1* )) 3.58 1.79 1.79
assign ((resid 35 and name HG* )) ( (resid 65 and name HD2* )) 3.74 1.95 1.95
assign ((resid 35 and name HG* )) ( (resid 83 and name HH2 )) 3.01 1.21 1.21
assign ((resid 36 and name HN )) ( (resid 36 and name HB* )) 2.70 0.91 0.91
assign ((resid 36 and name HN )) ( (resid 36 and name HG* )) 2.86 1.07 1.07
assign ((resid 36 and name HB* )) ( (resid 37 and name HN )) 3.09 1.30 1.30
assign ((resid 36 and name HG* )) ( (resid 37 and name HN )) 4.34 2.54 2.54
assign ((resid 38 and name HN )) ( (resid 38 and name HG1* )) 2.66 0.87 0.87
assign ((resid 38 and name HA )) ( (resid 38 and name HG1* )) 2.80 1.00 1.00
assign ((resid 38 and name HA )) ( (resid 41 and name HB* )) 3.13 1.34 1.34
assign ((resid 38 and name HG1* )) ( (resid 83 and name HE3 )) 2.93 1.14 1.14
assign ((resid 38 and name HG1* )) ( (resid 83 and name HZ3 )) 3.13 1.34 1.34
assign ((resid 38 and name HD1* )) ( (resid 69 and name HB* )) 4.40 2.60 2.60
assign ((resid 41 and name HN )) ( (resid 41 and name HB* )) 2.71 0.92 0.92
assign ((resid 41 and name HA )) ( (resid 45 and name HD2* )) 3.59 1.79 1.79
assign ((resid 41 and name HB* )) ( (resid 45 and name HD2* )) 4.31 2.52 2.52
assign ((resid 41 and name HB2 )) ( (resid 45 and name HD21 )) 4.78 2.98 2.98
assign ((resid 41 and name HB2 )) ( (resid 45 and name HD22 )) 4.78 2.98 2.98
assign ((resid 41 and name HD1* )) ( (resid 45 and name HD2* )) 3.92 2.12 2.12
assign ((resid 41 and name HD2* )) ( (resid 45 and name HD2* )) 3.53 1.74 1.74
assign ((resid 44 and name HN )) ( (resid 44 and name HB* )) 2.69 0.90 0.90
assign ((resid 44 and name HN )) ( (resid 44 and name HG* )) 2.87 1.08 1.08
assign ((resid 44 and name HA )) ( (resid 44 and name HG* )) 2.70 0.91 0.91
assign ((resid 44 and name HB* )) ( (resid 45 and name HN )) 2.96 1.17 1.17
assign ((resid 44 and name HB* )) ( (resid 45 and name HD2* )) 4.77 2.97 2.97
assign ((resid 45 and name HN )) ( (resid 45 and name HB* )) 2.57 0.78 0.78
assign ((resid 45 and name HB* )) ( (resid 47 and name HD1* )) 4.76 2.96 2.96
assign ((resid 45 and name HD2* )) ( (resid 72 and name HD2* )) 3.56 1.77 1.77
assign ((resid 46 and name HN )) ( (resid 46 and name HB* )) 2.59 0.79 0.79
assign ((resid 48 and name HN )) ( (resid 48 and name HG* )) 3.04 1.24 1.24
assign ((resid 48 and name HA )) ( (resid 48 and name HG* )) 2.59 0.79 0.79
assign ((resid 48 and name HB* )) ( (resid 49 and name HN )) 2.73 0.93 0.93
assign ((resid 48 and name HB* )) ( (resid 52 and name HN )) 4.07 2.27 2.27
assign ((resid 48 and name HB* )) ( (resid 52 and name HD2* )) 3.79 2.00 2.00
assign ((resid 48 and name HB2 )) ( (resid 52 and name HD21 )) 4.38 2.59 2.59
assign ((resid 48 and name HB2 )) ( (resid 52 and name HD22 )) 4.38 2.59 2.59
assign ((resid 49 and name HN )) ( (resid 49 and name HG* )) 2.98 1.19 1.19
assign ((resid 49 and name HA )) ( (resid 49 and name HG* )) 2.64 0.84 0.84
assign ((resid 49 and name HA )) ( (resid 52 and name HD2* )) 3.57 1.77 1.77
assign ((resid 49 and name HB* )) ( (resid 50 and name HN )) 3.09 1.30 1.30
assign ((resid 49 and name HG* )) ( (resid 50 and name HN )) 3.33 1.53 1.53
assign ((resid 49 and name HG* )) ( (resid 71 and name HD1* )) 3.58 1.79 1.79
assign ((resid 50 and name HN )) ( (resid 50 and name HG1* )) 2.96 1.17 1.17
assign ((resid 50 and name HA )) ( (resid 53 and name HD2* )) 3.43 1.63 1.63
assign ((resid 50 and name HG2* )) ( (resid 64 and name HD2* )) 4.66 2.86 2.86
assign ((resid 50 and name HG1* )) ( (resid 51 and name HN )) 4.34 2.54 2.54
assign ((resid 50 and name HD1* )) ( (resid 67 and name HD* )) 3.61 1.81 1.81
assign ((resid 53 and name HB* )) ( (resid 64 and name HD2* )) 4.75 2.95 2.95
assign ((resid 55 and name HN )) ( (resid 55 and name HG* )) 3.13 1.33 1.33
assign ((resid 55 and name HB* )) ( (resid 56 and name HN )) 2.70 0.90 0.90
assign ((resid 55 and name HG* )) ( (resid 56 and name HN )) 3.71 1.91 1.91
assign ((resid 56 and name HN )) ( (resid 56 and name HB* )) 2.43 0.64 0.64
assign ((resid 56 and name HB* )) ( (resid 57 and name HN )) 2.67 0.87 0.87
assign ((resid 57 and name HN )) ( (resid 57 and name HG* )) 2.79 0.99 0.99
assign ((resid 57 and name HA )) ( (resid 57 and name HG* )) 2.68 0.89 0.89
assign ((resid 57 and name HB* )) ( (resid 58 and name HN )) 3.01 1.21 1.21
assign ((resid 57 and name HG* )) ( (resid 58 and name HN )) 4.14 2.34 2.34
assign ((resid 59 and name HB* )) ( (resid 60 and name HN )) 2.82 1.03 1.03
assign ((resid 61 and name HN )) ( (resid 61 and name HB* )) 2.77 0.98 0.98
assign ((resid 61 and name HN )) ( (resid 61 and name HG* )) 3.20 1.41 1.41
assign ((resid 61 and name HB* )) ( (resid 62 and name HN )) 3.13 1.34 1.34
assign ((resid 61 and name HB* )) ( (resid 64 and name HN )) 3.49 1.70 1.70
assign ((resid 61 and name HB* )) ( (resid 64 and name HD2* )) 4.77 2.97 2.97
assign ((resid 62 and name HN )) ( (resid 62 and name HB* )) 2.77 0.98 0.98
assign ((resid 62 and name HB* )) ( (resid 65 and name HD1* )) 3.89 2.10 2.10
assign ((resid 63 and name HB* )) ( (resid 64 and name HN )) 2.93 1.13 1.13
assign ((resid 63 and name HG* )) ( (resid 64 and name HD2* )) 4.77 2.97 2.97
assign ((resid 64 and name HN )) ( (resid 64 and name HB* )) 2.45 0.66 0.66
assign ((resid 64 and name HA )) ( (resid 64 and name HD2* )) 3.07 1.27 1.27
assign ((resid 64 and name HB* )) ( (resid 65 and name HN )) 3.00 1.20 1.20
assign ((resid 66 and name HN )) ( (resid 66 and name HB* )) 2.66 0.87 0.87
assign ((resid 66 and name HB* )) ( (resid 67 and name HN )) 2.85 1.05 1.05
assign ((resid 67 and name HA )) ( (resid 67 and name HD* )) 3.19 1.39 1.39
assign ((resid 67 and name HB2 )) ( (resid 67 and name HD* )) 2.78 0.99 0.99
assign ((resid 67 and name HB1 )) ( (resid 67 and name HD* )) 2.64 0.85 0.85
assign ((resid 68 and name HA )) ( (resid 71 and name HB* )) 3.26 1.46 1.46
assign ((resid 69 and name HN )) ( (resid 69 and name HB* )) 2.69 0.89 0.89
assign ((resid 69 and name HN )) ( (resid 70 and name HG* )) 4.34 2.54 2.54
assign ((resid 69 and name HB* )) ( (resid 79 and name HG2* )) 4.07 2.28 2.28
assign ((resid 69 and name HB* )) ( (resid 80 and name HA )) 2.95 1.15 1.15
assign ((resid 70 and name HN )) ( (resid 70 and name HG* )) 3.07 1.28 1.28
assign ((resid 70 and name HA )) ( (resid 70 and name HG* )) 2.71 0.92 0.92
assign ((resid 70 and name HG* )) ( (resid 71 and name HN )) 3.47 1.68 1.68
assign ((resid 71 and name HN )) ( (resid 71 and name HB* )) 2.63 0.84 0.84
assign ((resid 71 and name HB* )) ( (resid 72 and name HN )) 2.74 0.94 0.94
assign ((resid 72 and name HN )) ( (resid 72 and name HB* )) 2.79 0.99 0.99
assign ((resid 72 and name HB* )) ( (resid 79 and name HG2* )) 3.60 1.81 1.81
assign ((resid 72 and name HB* )) ( (resid 79 and name HD1* )) 3.64 1.85 1.85
assign ((resid 73 and name HN )) ( (resid 73 and name HG* )) 3.12 1.33 1.33
assign ((resid 73 and name HA )) ( (resid 73 and name HG* )) 2.66 0.86 0.86
assign ((resid 73 and name HB1 )) ( (resid 73 and name HG* )) 2.23 0.43 0.43
assign ((resid 73 and name HG* )) ( (resid 74 and name HN )) 4.34 2.54 2.54
assign ((resid 73 and name HG* )) ( (resid 77 and name HA )) 2.60 0.80 0.80
assign ((resid 75 and name HN )) ( (resid 75 and name HB* )) 2.48 0.69 0.69
assign ((resid 75 and name HA )) ( (resid 75 and name HD2* )) 3.19 1.40 1.40
assign ((resid 76 and name HB* )) ( (resid 79 and name HD1* )) 3.24 1.44 1.44
assign ((resid 78 and name HN )) ( (resid 78 and name HG* )) 2.57 0.78 0.78
assign ((resid 78 and name HG* )) ( (resid 82 and name HD1* )) 3.94 2.15 2.15
assign ((resid 78 and name HG* )) ( (resid 82 and name HD2* )) 4.11 2.31 2.31
assign ((resid 79 and name HN )) ( (resid 80 and name HD* )) 2.76 0.96 0.96
assign ((resid 79 and name HB )) ( (resid 80 and name HD* )) 2.74 0.94 0.94
assign ((resid 80 and name HD* )) ( (resid 81 and name HN )) 3.49 1.70 1.70
assign ((resid 81 and name HN )) ( (resid 81 and name HG1* )) 2.75 0.95 0.95
assign ((resid 81 and name HA )) ( (resid 81 and name HG1* )) 2.77 0.97 0.97
assign ((resid 81 and name HA )) ( (resid 84 and name HB* )) 2.47 0.68 0.68
assign ((resid 82 and name HN )) ( (resid 82 and name HB* )) 2.82 1.03 1.03
assign ((resid 82 and name HA )) ( (resid 85 and name HB* )) 3.82 2.02 2.02
assign ((resid 82 and name HB* )) ( (resid 83 and name HN )) 2.89 1.10 1.10
assign ((resid 82 and name HB* )) ( (resid 114 and name HD2* )) 3.79 1.99 1.99
assign ((resid 82 and name HD1* )) ( (resid 113 and name HD* )) 4.06 2.26 2.26
assign ((resid 82 and name HD2* )) ( (resid 113 and name HD* )) 3.55 1.76 1.76
assign ((resid 84 and name HN )) ( (resid 84 and name HG* )) 3.20 1.40 1.40
assign ((resid 84 and name HA )) ( (resid 84 and name HG* )) 2.84 1.05 1.05
assign ((resid 85 and name HN )) ( (resid 85 and name HB* )) 2.74 0.94 0.94
assign ((resid 85 and name HB* )) ( (resid 86 and name HN )) 2.89 1.10 1.10
assign ((resid 85 and name HB* )) ( (resid 107 and name HD2* )) 3.91 2.12 2.12
assign ((resid 87 and name HA )) ( (resid 90 and name HB* )) 3.19 1.39 1.39
assign ((resid 88 and name HG2* )) ( (resid 92 and name HG* )) 4.31 2.51 2.51
assign ((resid 89 and name HN )) ( (resid 89 and name HD* )) 4.35 2.56 2.56
assign ((resid 89 and name HD* )) ( (resid 104 and name HA )) 4.07 2.27 2.27
assign ((resid 89 and name HD* )) ( (resid 111 and name HG2* )) 3.98 2.18 2.18
assign ((resid 90 and name HN )) ( (resid 90 and name HB* )) 2.61 0.81 0.81
assign ((resid 90 and name HB* )) ( (resid 90 and name HD2 )) 2.68 0.88 0.88
assign ((resid 90 and name HB* )) ( (resid 91 and name HN )) 3.04 1.24 1.24
assign ((resid 92 and name HN )) ( (resid 92 and name HG* )) 3.87 2.07 2.07
assign ((resid 92 and name HA )) ( (resid 92 and name HG* )) 2.78 0.99 0.99
assign ((resid 94 and name HN )) ( (resid 95 and name HB* )) 3.53 1.73 1.73
assign ((resid 94 and name HB* )) ( (resid 95 and name HN )) 2.96 1.16 1.16
assign ((resid 95 and name HN )) ( (resid 95 and name HB* )) 2.80 1.00 1.00
assign ((resid 97 and name HB* )) ( (resid 97 and name HG )) 2.23 0.43 0.43
assign ((resid 100 and name HN )) ( (resid 103 and name HB* )) 3.35 1.55 1.55
assign ((resid 100 and name HB* )) ( (resid 102 and name HN )) 3.18 1.39 1.39
assign ((resid 101 and name HN )) ( (resid 101 and name HB* )) 2.55 0.75 0.75
assign ((resid 101 and name HB* )) ( (resid 102 and name HN )) 2.66 0.87 0.87
assign ((resid 101 and name HG* )) ( (resid 105 and name HG* )) 3.95 2.16 2.16
assign ((resid 101 and name HG* )) ( (resid 105 and name HE* )) 4.15 2.35 2.35
assign ((resid 102 and name HN )) ( (resid 102 and name HG* )) 2.90 1.10 1.10
assign ((resid 102 and name HN )) ( (resid 102 and name HD* )) 3.55 1.75 1.75
assign ((resid 102 and name HA )) ( (resid 102 and name HG* )) 2.68 0.89 0.89
assign ((resid 102 and name HA )) ( (resid 102 and name HD* )) 3.49 1.70 1.70
assign ((resid 102 and name HG* )) ( (resid 103 and name HN )) 4.34 2.54 2.54
assign ((resid 103 and name HB* )) ( (resid 104 and name HN )) 2.80 1.01 1.01
assign ((resid 103 and name HB* )) ( (resid 104 and name HG2* )) 3.98 2.19 2.19
assign ((resid 104 and name HA )) ( (resid 107 and name HB* )) 3.20 1.41 1.41
assign ((resid 105 and name HN )) ( (resid 105 and name HG* )) 2.86 1.06 1.06
assign ((resid 105 and name HA )) ( (resid 105 and name HG* )) 2.88 1.08 1.08
assign ((resid 105 and name HA )) ( (resid 105 and name HE* )) 3.65 1.86 1.86
assign ((resid 105 and name HG* )) ( (resid 105 and name HE* )) 2.67 0.88 0.88
assign ((resid 106 and name HN )) ( (resid 106 and name HG* )) 3.05 1.26 1.26
assign ((resid 107 and name HN )) ( (resid 107 and name HB* )) 2.68 0.88 0.88
assign ((resid 107 and name HB* )) ( (resid 108 and name HN )) 3.02 1.23 1.23
assign ((resid 108 and name HN )) ( (resid 108 and name HB* )) 2.80 1.01 1.01
assign ((resid 108 and name HA )) ( (resid 108 and name HD* )) 4.34 2.54 2.54
assign ((resid 108 and name HG* )) ( (resid 112 and name HD* )) 4.78 2.98 2.98
assign ((resid 108 and name HD* )) ( (resid 109 and name HN )) 3.62 1.82 1.82
assign ((resid 109 and name HN )) ( (resid 109 and name HG* )) 3.06 1.27 1.27
assign ((resid 109 and name HA )) ( (resid 112 and name HB* )) 2.52 0.73 0.73
assign ((resid 109 and name HG* )) ( (resid 110 and name HN )) 4.28 2.49 2.49
assign ((resid 112 and name HG* )) ( (resid 113 and name HN )) 4.19 2.40 2.40
assign ((resid 112 and name HG* )) ( (resid 116 and name HD1* )) 3.84 2.04 2.04
assign ((resid 112 and name HD* )) ( (resid 116 and name HD1* )) 4.42 2.62 2.62
assign ((resid 113 and name HN )) ( (resid 113 and name HG* )) 2.66 0.87 0.87
assign ((resid 113 and name HN )) ( (resid 113 and name HD* )) 3.71 1.91 1.91
assign ((resid 113 and name HA )) ( (resid 113 and name HG* )) 2.69 0.90 0.90
assign ((resid 116 and name HN )) ( (resid 116 and name HG1* )) 2.61 0.82 0.82
assign ((resid 116 and name HA )) ( (resid 116 and name HG1* )) 2.69 0.90 0.90
assign ((resid 116 and name HG2* )) ( (resid 120 and name HD2* )) 3.10 1.30 1.30
assign ((resid 116 and name HG1* )) ( (resid 117 and name HN )) 3.72 1.93 1.93
assign ((resid 117 and name HA )) ( (resid 120 and name HB* )) 2.76 0.97 0.97
assign ((resid 118 and name HA )) ( (resid 121 and name HB* )) 2.54 0.74 0.74
assign ((resid 120 and name HN )) ( (resid 120 and name HB* )) 2.39 0.59 0.59
assign ((resid 120 and name HB* )) ( (resid 121 and name HN )) 2.82 1.03 1.03
assign ((resid 121 and name HB* )) ( (resid 122 and name HN )) 3.02 1.22 1.22
assign ((resid 121 and name HB* )) ( (resid 122 and name HD1* )) 3.98 2.19 2.19
assign ((resid 123 and name HN )) ( (resid 123 and name HG* )) 2.69 0.89 0.89
assign ((resid 124 and name HN )) ( (resid 124 and name HB* )) 2.58 0.79 0.79
assign ((resid 125 and name HN )) ( (resid 125 and name HB* )) 2.61 0.82 0.82
assign ((resid 126 and name HN )) ( (resid 126 and name HB* )) 2.77 0.97 0.97
list of removed NOE constraints
409-> SER 121 HN - LEU 122 HB* 1.79 6.13 # NoRestrctn S [2.00 6.01] -- sequential
449-> LYS 48 HN - LYS 48 HD* 1.79 6.77 # NoRestrctn I [2.29 6.01] -- intra
453-> LYS 55 HN - LYS 55 HD* 1.80 6.88 # NoRestrctn I [2.29 6.01] -- intra
454-> LYS 57 HN - LYS 57 HD* 1.80 6.88 # NoRestrctn I [2.29 6.01] -- intra
462-> LYS 70 HN - LYS 70 HD* 1.80 6.88 # NoRestrctn I [2.29 6.01] -- intra
471-> GLU 96 HN - GLU 96 HG* 1.79 6.23 # NoRestrctn I [2.29 6.01] -- intra
478-> LYS 106 HN - LYS 106 HD* 1.80 6.74 # NoRestrctn I [2.29 6.01] -- intra
561-> SER 6 HN - ALA 7 HB* 1.79 6.95 # NoRestrctn S [2.00 6.01] -- sequential
572-> GLU 36 HN - ALA 37 HB* 1.80 7.02 # NoRestrctn S [2.00 6.01] -- sequential
878-> LYS 20 HN - LYS 20 HD* 1.80 6.20 # NoRestrctn I [2.29 6.01] -- intra
919-> ARG 59 HN - ARG 59 HD* 1.79 6.77 # NoRestrctn I [2.29 6.01] -- intra
1006-> LEU 18 HN - LEU 18 HD2* 1.80 6.12 # NoRestrctn I [2.29 6.01] -- intra
1028-> LEU 47 HN - LEU 47 HD2* 1.79 6.33 # NoRestrctn I [2.29 6.01] -- intra
1037-> LEU 71 HA - LEU 71 HD1* 1.80 6.30 # NoRestrctn I [2.11 5.99] -- intra
1059-> LEU 107 HN - LEU 107 HD1* 1.80 6.26 # NoRestrctn I [2.29 6.01] -- intra
1144-> GLN 25 HN - ALA 26 HB* 1.79 6.59 # NoRestrctn S [2.00 6.01] -- sequential
1476-> ALA 26 HN - CYS 27 HB* 1.79 6.23 # NoRestrctn S [2.00 6.01] -- sequential
1527-> ASN 45 HN - ASN 45 HD2* 1.79 6.25 # NoRestrctn I [2.29 6.01] -- intra
1566-> SER 62 HA - SER 62 HB* 1.80 2.60 # FixedDistn I [0.00 0.00] -- intra
1575-> LYS 67 HN - LYS 67 HD* 1.79 6.77 # NoRestrctn I [2.29 6.01] -- intra
====== TOTAL ======: 20
table of distance constraints violations
Residual Violations greater than 0.10
1-> SER 4 HN - THR 5 HN [ 1.80 3.52] 0.53 0.00 0.59 0.69 0.00 0.00 0.00 0.70 0.53 0.00 0.83 0.67 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.70 - 9 [ 0.53 .. 0.83]
18-> GLU 16 HA - PHE 17 HN [ 1.80 3.44] 0.06 0.06 0.10 0.09 0.11 0.08 0.07 0.08 0.08 0.10 0.05 0.09 0.05 0.07 0.07 0.07 0.07 0.08 0.10 0.08 - 20 [ 0.05 .. 0.11]
44-> GLU 35 HB3 - GLU 36 HN [ 1.79 3.91] 0.16 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 - 3 [ 0.06 .. 0.16]
68-> LYS 55 HB2 - ASN 56 HN [ 1.80 3.88] 0.16 0.05 0.00 0.00 0.00 0.00 0.17 0.03 0.08 0.04 0.00 0.00 0.12 0.00 0.39 0.00 0.00 0.07 0.00 0.00 - 9 [ 0.03 .. 0.39]
69-> LYS 55 HB3 - ASN 56 HN [ 1.80 3.88] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.30 .. 0.30]
74-> TRP 60 HB2 - LYS 61 HN [ 1.80 4.20] 0.00 0.00 0.00 0.01 0.00 0.02 0.00 0.30 0.00 0.00 0.02 0.00 0.00 0.07 0.00 0.00 0.03 0.03 0.00 0.32 - 10 [ 0.00 .. 0.32]
76-> LYS 61 HA - SER 62 HN [ 1.79 3.41] 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.12 0.00 0.00 0.09 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.11 0.12 - 6 [ 0.09 .. 0.15]
97-> GLU 78 HB3 - ILE 79 HN [ 1.79 4.09] 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 - 2 [ 0.11 .. 0.13]
105-> THR 88 HB - LEU 89 HN [ 1.79 3.77] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 - 1 [ 0.47 .. 0.47]
111-> GLU 92 HN - GLY 93 HN [ 1.80 3.70] 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
112-> PHE 94 HN - HIS 95 HN [ 1.80 3.48] 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.40 .. 0.61]
124-> VAL 104 HB - LYS 105 HN [ 1.79 3.41] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 - 1 [ 0.65 .. 0.65]
138-> ILE 116 HB - PHE 117 HN [ 1.80 2.94] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.07 0.00 0.00 - 2 [ 1.07 .. 1.09]
145-> GLU 123 HN - HIS 124 HN [ 1.79 3.37] 0.00 0.93 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.31 0.12 0.00 0.00 0.42 0.60 - 7 [ 0.02 .. 1.15]
146-> GLU 123 HA - HIS 124 HN [ 1.80 3.30] 0.02 0.00 0.18 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 - 5 [ 0.02 .. 0.18]
159-> LYS 20 HN - LYS 20 HB3 [ 1.80 3.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.14 0.00 0.00 0.10 0.00 0.00 0.00 0.10 0.00 - 4 [ 0.10 .. 0.14]
175-> LEU 47 HN - LEU 47 HB3 [ 1.79 3.55] 0.07 0.05 0.04 0.08 0.04 0.06 0.10 0.07 0.09 0.07 0.00 0.07 0.03 0.09 0.08 0.06 0.00 0.07 0.06 0.07 - 18 [ 0.03 .. 0.10]
176-> LYS 55 HN - LYS 55 HB3 [ 1.80 3.26] 0.00 0.00 0.00 0.28 0.32 0.32 0.00 0.00 0.00 0.00 0.32 0.33 0.00 0.30 0.00 0.31 0.00 0.00 0.31 0.32 - 9 [ 0.28 .. 0.33]
177-> LYS 57 HN - LYS 57 HB3 [ 1.79 3.23] 0.48 0.39 0.38 0.45 0.42 0.37 0.38 0.35 0.42 0.38 0.35 0.45 0.42 0.45 0.46 0.37 0.36 0.38 0.38 0.38 - 20 [ 0.35 .. 0.48]
178-> ARG 59 HN - ARG 59 HB2 [ 1.80 3.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 - 3 [ 0.55 .. 0.56]
194-> THR 88 HN - THR 88 HB [ 1.79 3.37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 - 1 [ 0.27 .. 0.27]
198-> HIS 90 HN - HIS 90 HB3 [ 1.79 3.59] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 - 1 [ 0.22 .. 0.22]
206-> LYS 102 HN - LYS 102 HB3 [ 1.80 3.12] 0.45 0.45 0.43 0.00 0.00 0.42 0.45 0.45 0.45 0.00 0.00 0.44 0.00 0.44 0.44 0.45 0.00 0.44 0.44 0.44 - 14 [ 0.42 .. 0.45]
207-> VAL 104 HN - VAL 104 HB [ 1.80 3.16] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 - 1 [ 0.48 .. 0.48]
215-> LYS 113 HN - LYS 113 HB3 [ 1.80 3.48] 0.10 0.10 0.11 0.09 0.09 0.09 0.09 0.09 0.10 0.09 0.02 0.09 0.08 0.08 0.09 0.11 0.09 0.09 0.09 0.10 - 20 [ 0.02 .. 0.11]
217-> SER 121 HN - SER 121 HB2 [ 1.80 3.44] 0.00 0.17 0.16 0.00 0.00 0.00 0.14 0.15 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 - 6 [ 0.14 .. 0.17]
218-> HIS 124 HN - HIS 124 HB3 [ 1.80 3.66] 0.43 0.20 0.07 0.09 0.48 0.19 0.13 0.00 0.00 0.03 0.00 0.43 0.00 0.00 0.43 0.00 0.14 0.02 0.00 0.00 - 12 [ 0.02 .. 0.48]
219-> HIS 125 HN - HIS 125 HB2 [ 1.80 3.66] 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.00 .. 0.24]
220-> HIS 125 HN - HIS 125 HB3 [ 1.80 3.66] 0.12 0.00 0.00 0.00 0.44 0.00 0.01 0.46 0.00 0.42 0.00 0.41 0.02 0.00 0.00 0.07 0.00 0.00 0.16 0.17 - 10 [ 0.01 .. 0.46]
222-> HIS 126 HN - HIS 126 HB3 [ 1.80 3.98] 0.03 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.11 0.17 0.00 0.00 0.00 0.15 0.00 - 6 [ 0.03 .. 0.17]
244-> LEU 47 HN - LYS 48 HN [ 1.80 4.16] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 - 2 [ 0.03 .. 0.12]
248-> GLY 58 HN - ARG 59 HN [ 1.80 3.34] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.42 .. 0.42]
249-> ARG 59 HN - TRP 60 HN [ 1.79 4.27] 0.09 0.09 0.05 0.03 0.10 0.10 0.06 0.14 0.17 0.04 0.03 0.08 0.07 0.08 0.10 0.08 0.10 0.11 0.07 0.07 - 20 [ 0.03 .. 0.17]
264-> GLY 93 HN - PHE 94 HN [ 1.79 3.91] 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.33 .. 0.60]
265-> HIS 95 HN - GLU 96 HN [ 1.80 3.80] 0.00 0.00 0.00 0.01 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.01 .. 0.18]
266-> LEU 97 HN - SER 98 HN [ 1.80 4.02] 0.00 0.00 0.36 0.00 0.41 0.02 0.00 0.39 0.44 0.00 0.41 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.48 0.30 - 9 [ 0.02 .. 0.48]
280-> ALA 7 HA - TYR 10 HN [ 1.80 4.34] 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.28 .. 0.28]
283-> TYR 11 HN - ALA 33 HA [ 1.79 4.81] 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
292-> GLU 13 HA - PHE 17 HN [ 1.80 3.98] 0.73 0.90 0.71 0.51 0.23 0.04 0.52 0.45 0.56 0.25 0.29 0.54 0.52 0.36 0.46 0.48 0.29 0.39 0.70 0.35 - 20 [ 0.04 .. 0.90]
293-> GLU 16 HA - LEU 18 HN [ 1.80 4.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 - 2 [ 0.01 .. 0.12]
305-> GLU 28 HA - TYR 31 HN [ 1.80 3.62] 0.00 0.00 0.20 0.00 0.00 0.02 0.00 0.34 0.00 0.20 0.30 0.00 0.21 0.01 0.00 0.00 0.11 0.00 0.36 0.11 - 11 [ 0.00 .. 0.36]
307-> LYS 29 HA - ALA 33 HN [ 1.80 4.96] 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
320-> GLU 63 HA - LEU 65 HN [ 1.80 4.24] 0.00 0.15 0.00 0.07 0.08 0.00 0.00 0.38 0.08 0.13 0.27 0.22 0.02 0.00 0.00 0.24 0.11 0.01 0.00 0.18 - 13 [ 0.01 .. 0.38]
323-> ASN 64 HA - LYS 67 HN [ 1.80 4.02] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 - 1 [ 0.32 .. 0.32]
338-> PRO 80 HA - LYS 84 HN [ 1.80 4.88] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 - 1 [ 0.75 .. 0.75]
361-> LYS 108 HA - VAL 111 HN [ 1.79 3.95] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.31 .. 0.31]
367-> ARG 112 HA - ILE 116 HN [ 1.80 4.20] 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.07 0.00 0.04 0.09 0.00 0.00 0.04 0.35 0.00 0.05 0.05 0.00 0.00 - 8 [ 0.04 .. 0.35]
373-> ILE 3 HA - THR 5 HN [ 1.79 5.53] 0.24 0.00 0.60 0.73 0.00 0.00 0.00 0.35 0.23 0.00 0.03 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.22 - 8 [ 0.03 .. 0.73]
375-> SER 6 HN - VAL 9 HB [ 1.79 5.17] 0.00 0.00 0.35 0.52 0.30 0.00 0.23 0.17 0.21 0.00 0.03 0.00 0.61 0.00 0.40 0.00 0.21 0.00 0.00 0.29 - 11 [ 0.03 .. 0.61]
379-> THR 5 HN - GLU 8 HN [ 1.80 4.74] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.48 0.00 0.00 0.33 0.00 0.00 0.00 0.00 - 3 [ 0.33 .. 0.48]
380-> THR 5 HN - VAL 9 HN [ 1.79 4.81] 0.00 0.00 0.54 0.76 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.88 1.07 0.00 0.26 1.14 0.00 0.00 0.15 0.00 - 8 [ 0.02 .. 1.14]
389-> ILE 43 HA - ASN 46 HN [ 1.80 4.06] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.68 .. 0.70]
396-> LYS 61 HN - ASN 64 HN [ 1.80 5.10] 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.30 .. 0.30]
402-> SER 98 HN - LEU 99 HN [ 1.80 3.30] 0.17 0.00 0.00 0.79 0.00 0.38 0.00 0.26 0.00 0.31 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 - 7 [ 0.10 .. 0.79]
406-> GLU 109 HN - VAL 111 HN [ 1.79 4.63] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.20 .. 0.20]
412-> LYS 48 HA - ASN 52 HN [ 1.80 3.80] 0.31 0.11 0.08 0.20 0.00 0.11 0.13 0.02 0.04 0.11 0.37 0.00 0.11 0.16 0.17 0.00 0.11 0.00 0.00 0.00 - 14 [ 0.02 .. 0.37]
427-> GLU 8 HN - GLU 8 HG2 [ 1.80 3.98] 0.57 0.00 0.00 0.00 0.57 0.00 0.59 0.55 0.00 0.00 0.49 0.58 0.55 0.00 0.00 0.53 0.57 0.59 0.00 0.57 - 11 [ 0.49 .. 0.59]
428-> GLU 8 HN - GLU 8 HG3 [ 1.80 3.98] 0.39 0.00 0.00 0.00 0.40 0.00 0.38 0.42 0.00 0.00 0.52 0.44 0.36 0.00 0.00 0.47 0.38 0.39 0.00 0.39 - 11 [ 0.36 .. 0.52]
429-> GLU 13 HN - GLU 13 HG3 [ 1.79 3.73] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
430-> GLU 15 HN - GLU 15 HG2 [ 1.80 3.70] 0.85 0.00 0.00 0.98 0.00 0.82 0.84 0.89 0.00 0.00 0.00 0.83 0.00 0.88 0.00 0.85 0.84 0.00 0.00 0.81 - 10 [ 0.81 .. 0.98]
431-> GLU 15 HN - GLU 15 HG3 [ 1.80 3.70] 0.65 0.00 0.00 0.67 0.00 0.70 0.68 0.62 0.00 0.00 0.00 0.69 0.00 0.64 0.00 0.69 0.69 0.00 0.00 0.70 - 10 [ 0.62 .. 0.70]
432-> GLU 16 HN - GLU 16 HG2 [ 1.79 4.09] 0.00 0.00 0.45 0.43 0.43 0.46 0.00 0.00 0.00 0.43 0.53 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 - 8 [ 0.43 .. 0.53]
437-> LYS 32 HN - LYS 32 HG2 [ 1.79 4.31] 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.19 .. 0.19]
438-> GLU 35 HN - GLU 35 HG2 [ 1.79 4.31] 0.00 0.00 0.00 0.00 0.00 0.16 0.15 0.00 0.22 0.00 0.23 0.22 0.25 0.00 0.24 0.24 0.00 0.00 0.21 0.00 - 9 [ 0.15 .. 0.25]
439-> GLU 35 HN - GLU 35 HG3 [ 1.79 4.31] 0.00 0.00 0.00 0.00 0.00 0.10 0.10 0.00 0.04 0.00 0.10 0.10 0.02 0.00 0.07 0.04 0.00 0.00 0.07 0.00 - 9 [ 0.02 .. 0.10]
440-> GLU 36 HN - GLU 36 HG2 [ 1.79 4.31] 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.37 .. 0.37]
441-> GLU 36 HN - GLU 36 HG3 [ 1.79 4.31] 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
445-> GLU 44 HN - GLU 44 HG2 [ 1.80 4.20] 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.49 0.47 - 5 [ 0.31 .. 0.50]
446-> LEU 47 HN - LEU 47 HG [ 1.80 3.44] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 - 2 [ 0.62 .. 0.87]
456-> TRP 60 HN - TRP 60 HD1 [ 1.79 4.27] 0.00 0.79 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.70 .. 0.79]
463-> LEU 71 HN - LEU 71 HG [ 1.80 3.26] 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.22 1.23 0.00 0.00 - 4 [ 0.99 .. 1.23]
472-> LEU 99 HN - LEU 99 HG [ 1.80 3.70] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.81 .. 0.81]
473-> LYS 102 HN - LYS 102 HG3 [ 1.79 4.27] 0.00 0.00 0.00 0.18 0.18 0.00 0.00 0.00 0.00 0.18 0.15 0.00 0.18 0.00 0.00 0.00 0.14 0.00 0.00 0.00 - 6 [ 0.14 .. 0.18]
485-> LEU 114 HN - LEU 114 HG [ 1.80 3.98] 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.46 0.49 0.00 0.48 0.00 0.00 0.46 0.00 0.00 0.43 0.00 - 6 [ 0.43 .. 0.49]
496-> SER 4 HB* - VAL 9 HN [ 1.80 6.88] 0.00 0.21 0.55 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.21 .. 0.58]
502-> LEU 41 HA - ASN 45 HD21 [ 1.79 5.57] 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.44 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.44 .. 1.94]
564-> GLU 8 HN - VAL 119 HG1* [ 1.80 5.80] 1.30 2.27 1.65 2.05 0.99 1.27 1.63 1.46 1.44 0.85 1.59 0.00 0.00 2.53 1.64 0.71 1.68 1.51 0.99 1.51 - 18 [ 0.71 .. 2.53]
577-> ILE 43 HD1* - TRP 60 HE1 [ 1.79 6.73] 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.40 .. 0.70]
582-> SER 69 HN - LEU 72 HD2* [ 1.80 6.62] 0.00 0.00 0.00 1.17 0.00 1.49 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.73 .. 1.49]
601-> SER 121 HN - LEU 122 HD1* [ 1.80 5.44] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.70 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 - 3 [ 0.67 .. 0.70]
609-> GLU 12 HN - GLU 12 HB3 [ 1.80 3.16] 0.00 0.42 0.42 0.42 0.00 0.00 0.42 0.42 0.00 0.42 0.00 0.00 0.00 0.00 0.42 0.43 0.00 0.42 0.42 0.00 - 10 [ 0.42 .. 0.43]
611-> GLU 16 HA - GLU 16 HB2 [ 1.79 2.87] 0.12 0.12 0.00 0.00 0.00 0.00 0.13 0.12 0.13 0.00 0.00 0.00 0.13 0.12 0.13 0.12 0.12 0.12 0.00 0.12 - 12 [ 0.12 .. 0.13]
612-> GLU 16 HA - GLU 16 HB3 [ 1.79 2.87] 0.00 0.00 0.12 0.12 0.13 0.14 0.00 0.00 0.00 0.13 0.12 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 - 8 [ 0.12 .. 0.14]
614-> GLU 16 HN - GLU 16 HB3 [ 1.80 3.30] 0.25 0.25 0.00 0.00 0.00 0.00 0.26 0.26 0.25 0.00 0.00 0.00 0.26 0.24 0.25 0.24 0.24 0.24 0.00 0.24 - 12 [ 0.24 .. 0.26]
623-> LEU 40 HN - LEU 40 HB3 [ 1.80 3.44] 0.13 0.13 0.12 0.12 0.14 0.13 0.11 0.12 0.12 0.12 0.12 0.13 0.11 0.13 0.12 0.11 0.13 0.13 0.13 0.11 - 20 [ 0.11 .. 0.14]
629-> ASN 46 HN - ASN 46 HA [ 1.80 2.62] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.10 .. 0.10]
630-> ASN 46 HN - ASN 46 HB2 [ 1.80 3.62] 0.00 0.12 0.00 0.09 0.15 0.00 0.00 0.00 0.01 0.06 0.04 0.14 0.22 0.00 0.00 0.00 0.16 0.00 0.09 0.00 - 10 [ 0.01 .. 0.22]
631-> ASN 46 HA - ASN 46 HB2 [ 1.79 3.01] 0.00 0.10 0.00 0.11 0.09 0.00 0.00 0.00 0.00 0.10 0.00 0.09 0.09 0.00 0.00 0.00 0.10 0.00 0.10 0.00 - 8 [ 0.09 .. 0.11]
632-> ASN 46 HN - ASN 46 HB3 [ 1.80 3.62] 0.00 0.20 0.00 0.23 0.22 0.00 0.00 0.00 0.00 0.21 0.00 0.21 0.27 0.00 0.00 0.00 0.23 0.00 0.18 0.00 - 8 [ 0.18 .. 0.27]
635-> LYS 48 HN - LYS 48 HB3 [ 1.80 3.26] 0.33 0.33 0.31 0.31 0.33 0.00 0.31 0.31 0.30 0.33 0.00 0.32 0.29 0.31 0.28 0.32 0.33 0.33 0.32 0.32 - 18 [ 0.28 .. 0.33]
639-> GLU 49 HN - GLU 49 HB3 [ 1.80 3.48] 0.09 0.09 0.00 0.11 0.00 0.00 0.09 0.08 0.09 0.10 0.00 0.00 0.00 0.09 0.00 0.10 0.09 0.09 0.10 0.00 - 12 [ 0.08 .. 0.11]
642-> THR 51 HA - THR 51 HB [ 1.80 2.90] 0.14 0.14 0.00 0.00 0.14 0.00 0.14 0.00 0.12 0.13 0.13 0.00 0.15 0.00 0.12 0.00 0.00 0.14 0.12 0.14 - 12 [ 0.12 .. 0.15]
644-> ASN 53 HN - ASN 53 HB3 [ 1.79 3.37] 0.17 0.18 0.16 0.16 0.16 0.16 0.17 0.16 0.17 0.16 0.15 0.16 0.16 0.16 0.18 0.16 0.17 0.15 0.16 0.15 - 20 [ 0.15 .. 0.18]
645-> VAL 54 HN - VAL 54 HB [ 1.79 3.19] 0.54 0.00 0.47 0.00 0.00 0.00 0.56 0.45 0.54 0.55 0.00 0.00 0.53 0.00 0.53 0.00 0.57 0.54 0.00 0.00 - 10 [ 0.45 .. 0.57]
646-> LYS 55 HN - LYS 55 HB2 [ 1.80 3.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.34 .. 0.34]
647-> ASN 56 HN - ASN 56 HB2 [ 1.80 3.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.22 .. 0.22]
648-> ASN 56 HN - ASN 56 HB3 [ 1.80 3.26] 0.27 0.26 0.28 0.27 0.28 0.28 0.28 0.00 0.27 0.29 0.28 0.28 0.28 0.27 0.29 0.28 0.29 0.29 0.28 0.28 - 19 [ 0.26 .. 0.29]
651-> ARG 59 HN - ARG 59 HB3 [ 1.80 3.48] 0.36 0.39 0.37 0.39 0.36 0.39 0.37 0.22 0.00 0.00 0.04 0.40 0.38 0.35 0.38 0.40 0.38 0.38 0.39 0.00 - 19 [ 0.00 .. 0.40]
661-> ASN 64 HN - ASN 64 HB3 [ 1.79 3.37] 0.15 0.16 0.18 0.15 0.18 0.17 0.15 0.16 0.16 0.16 0.14 0.15 0.15 0.17 0.14 0.15 0.17 0.17 0.11 0.15 - 20 [ 0.11 .. 0.18]
663-> LYS 67 HN - LYS 67 HB3 [ 1.80 3.26] 0.33 0.31 0.33 0.31 0.33 0.32 0.33 0.32 0.34 0.31 0.33 0.32 0.33 0.33 0.32 0.32 0.32 0.33 0.33 0.33 - 20 [ 0.31 .. 0.34]
664-> LYS 70 HN - LYS 70 HB3 [ 1.79 3.41] 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.18 0.00 0.00 0.00 0.18 0.00 0.00 0.18 0.00 0.18 0.00 0.00 - 5 [ 0.17 .. 0.18]
668-> ARG 73 HN - ARG 73 HB3 [ 1.80 3.26] 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.35 - 4 [ 0.35 .. 0.44]
669-> ARG 73 HN - ARG 73 HB2 [ 1.80 3.26] 0.33 0.35 0.00 0.00 0.00 0.38 0.00 0.00 0.34 0.00 0.00 0.35 0.00 0.00 0.00 0.36 0.00 0.00 0.34 0.00 - 7 [ 0.33 .. 0.38]
671-> ASN 75 HN - ASN 75 HB3 [ 1.80 3.34] 0.21 0.25 0.21 0.22 0.00 0.21 0.25 0.20 0.22 0.23 0.22 0.25 0.24 0.22 0.24 0.00 0.22 0.22 0.23 0.22 - 18 [ 0.20 .. 0.25]
672-> THR 77 HN - THR 77 HB [ 1.80 3.48] 0.15 0.14 0.15 0.19 0.14 0.16 0.17 0.14 0.14 0.16 0.13 0.16 0.15 0.13 0.14 0.14 0.13 0.15 0.15 0.23 - 20 [ 0.13 .. 0.23]
677-> GLU 78 HN - GLU 78 HB3 [ 1.80 3.44] 0.11 0.17 0.15 0.11 0.14 0.16 0.12 0.13 0.14 0.14 0.13 0.13 0.14 0.12 0.13 0.16 0.13 0.12 0.14 0.17 - 20 [ 0.11 .. 0.17]
680-> LYS 84 HN - LYS 84 HB3 [ 1.80 3.08] 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.51 0.00 0.00 - 4 [ 0.49 .. 0.51]
681-> TRP 87 HA - HIS 90 HN [ 1.80 3.98] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 - 1 [ 0.15 .. 0.15]
682-> VAL 91 HN - VAL 91 HB [ 1.80 3.30] 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.39 .. 0.39]
684-> PHE 94 HN - PHE 94 HB3 [ 1.80 3.70] 0.00 0.00 0.00 0.00 0.42 0.36 0.01 0.01 0.36 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.01 .. 0.42]
689-> GLU 101 HN - GLU 101 HB3 [ 1.80 3.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 - 1 [ 0.10 .. 0.10]
693-> GLU 103 HN - GLU 103 HB3 [ 1.79 3.41] 0.17 0.17 0.15 0.17 0.16 0.17 0.17 0.18 0.16 0.17 0.16 0.14 0.16 0.15 0.15 0.16 0.18 0.18 0.17 0.16 - 20 [ 0.14 .. 0.18]
699-> LEU 114 HN - LEU 114 HB3 [ 1.80 3.26] 0.28 0.31 0.29 0.29 0.29 0.00 0.29 0.29 0.30 0.00 0.00 0.27 0.00 0.30 0.32 0.00 0.28 0.29 0.00 0.29 - 14 [ 0.27 .. 0.32]
701-> ILE 116 HN - ILE 116 HB [ 1.80 2.98] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.67 0.00 0.00 - 2 [ 0.67 .. 0.68]
703-> PHE 117 HN - PHE 117 HB3 [ 1.79 3.23] 0.38 0.38 0.38 0.34 0.39 0.38 0.37 0.38 0.37 0.38 0.39 0.39 0.38 0.35 0.38 0.38 0.38 0.38 0.38 0.37 - 20 [ 0.34 .. 0.39]
705-> ASN 120 HN - ASN 120 HB3 [ 1.80 3.16] 0.38 0.37 0.38 0.37 0.36 0.39 0.37 0.38 0.39 0.00 0.37 0.38 0.37 0.37 0.37 0.36 0.37 0.37 0.37 0.38 - 19 [ 0.36 .. 0.39]
706-> SER 121 HN - SER 121 HB3 [ 1.80 3.44] 0.00 0.00 0.00 0.16 0.14 0.13 0.00 0.00 0.16 0.15 0.00 0.14 0.13 0.16 0.10 0.15 0.14 0.13 0.14 0.00 - 13 [ 0.10 .. 0.16]
710-> ILE 3 HA - SER 4 HN [ 1.80 2.44] 0.00 0.17 0.00 0.05 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 - 4 [ 0.05 .. 0.17]
711-> ILE 3 HB - SER 4 HN [ 1.79 3.23] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 - 4 [ 0.62 .. 1.01]
712-> SER 4 HA - THR 5 HN [ 1.80 2.72] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.49 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.49]
714-> THR 5 HB - SER 6 HN [ 1.80 3.34] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.82 .. 0.82]
715-> GLU 16 HB2 - PHE 17 HN [ 1.80 3.62] 0.00 0.00 0.22 0.17 0.18 0.22 0.00 0.00 0.00 0.17 0.31 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 - 8 [ 0.17 .. 0.31]
722-> GLU 35 HB2 - GLU 36 HN [ 1.79 3.91] 0.16 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 - 3 [ 0.11 .. 0.16]
731-> VAL 54 HA - LYS 55 HN [ 1.80 3.44] 0.00 0.05 0.00 0.06 0.06 0.05 0.00 0.00 0.00 0.00 0.07 0.08 0.00 0.10 0.00 0.09 0.00 0.00 0.08 0.06 - 10 [ 0.05 .. 0.10]
732-> VAL 54 HB - LYS 55 HN [ 1.80 3.80] 0.43 0.00 0.35 0.00 0.00 0.00 0.49 0.41 0.61 0.35 0.00 0.00 0.43 0.00 0.62 0.00 0.64 0.37 0.00 0.00 - 10 [ 0.35 .. 0.64]
735-> ASN 56 HB3 - LYS 57 HN [ 1.80 3.84] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
736-> LYS 57 HA - GLY 58 HN [ 1.79 3.19] 0.00 0.00 0.00 0.29 0.21 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.29 0.00 - 5 [ 0.21 .. 0.29]
737-> GLY 58 HA2 - ARG 59 HN [ 1.79 3.41] 0.00 0.14 0.00 0.00 0.12 0.09 0.09 0.00 0.14 0.00 0.08 0.01 0.00 0.11 0.00 0.11 0.00 0.00 0.00 0.13 - 10 [ 0.01 .. 0.14]
742-> TRP 60 HA - LYS 61 HN [ 1.79 3.01] 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.48 .. 0.48]
745-> LYS 67 HB3 - ALA 68 HN [ 1.79 3.05] 0.59 0.58 0.54 0.59 0.65 0.57 0.69 0.67 0.71 0.72 0.54 0.53 0.67 0.72 0.51 0.78 0.61 0.64 0.66 0.61 - 20 [ 0.51 .. 0.78]
748-> LYS 70 HB3 - LEU 71 HN [ 1.79 3.41] 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.36 0.00 0.00 0.00 0.26 0.00 0.00 0.28 0.00 0.11 0.00 0.00 - 5 [ 0.11 .. 0.46]
749-> LYS 70 HB2 - LEU 71 HN [ 1.79 3.37] 0.41 0.40 0.44 0.52 0.39 0.00 0.47 0.34 0.00 0.55 0.44 0.38 0.00 0.44 0.46 0.00 0.40 0.00 0.36 0.44 - 15 [ 0.34 .. 0.55]
755-> PRO 80 HB3 - ILE 81 HN [ 1.80 4.16] 0.08 0.15 0.12 0.13 0.08 0.06 0.10 0.06 0.08 0.09 0.10 0.00 0.07 0.06 0.00 0.00 0.09 0.27 0.10 0.10 - 17 [ 0.06 .. 0.27]
756-> PRO 80 HB2 - ILE 81 HN [ 1.80 3.66] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 - 1 [ 0.10 .. 0.10]
758-> LYS 84 HB2 - SER 85 HN [ 1.79 3.73] 0.00 0.07 0.08 0.11 0.14 0.17 0.07 0.00 0.16 0.17 0.10 0.16 0.16 0.12 0.00 0.15 0.18 0.00 0.14 0.13 - 16 [ 0.07 .. 0.18]
760-> VAL 91 HB - GLU 92 HN [ 1.79 3.59] 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.46 .. 0.70]
761-> PHE 94 HB2 - HIS 95 HN [ 1.80 4.34] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.22 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.22]
762-> PHE 94 HB3 - HIS 95 HN [ 1.80 4.34] 0.00 0.00 0.00 0.00 0.00 0.09 0.08 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.08 .. 0.17]
765-> ASN 100 HB2 - GLU 101 HN [ 1.80 3.62] 0.81 0.20 0.03 0.31 0.00 0.19 0.84 0.06 0.36 0.00 0.17 0.26 0.14 0.05 0.04 0.00 0.15 0.12 0.21 0.09 - 17 [ 0.03 .. 0.84]
766-> ASN 100 HB3 - GLU 101 HN [ 1.80 3.62] 0.29 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.03 .. 0.29]
767-> GLU 101 HB2 - LYS 102 HN [ 1.79 3.73] 0.13 0.00 0.07 0.09 0.11 0.06 0.18 0.16 0.07 0.16 0.00 0.11 0.04 0.04 0.09 0.02 0.01 0.00 0.06 0.10 - 17 [ 0.01 .. 0.18]
769-> LYS 102 HB2 - GLU 103 HN [ 1.80 3.62] 0.00 0.00 0.00 0.25 0.16 0.00 0.00 0.00 0.00 0.21 0.20 0.00 0.26 0.00 0.00 0.00 0.22 0.00 0.00 0.00 - 6 [ 0.16 .. 0.26]
770-> LYS 102 HB3 - GLU 103 HN [ 1.80 3.52] 0.13 0.19 0.15 0.00 0.00 0.10 0.03 0.16 0.17 0.00 0.00 0.15 0.00 0.19 0.16 0.12 0.00 0.24 0.04 0.13 - 14 [ 0.03 .. 0.24]
775-> PHE 117 HB3 - ALA 118 HN [ 1.80 3.44] 0.17 0.22 0.20 0.00 0.20 0.18 0.14 0.09 0.27 0.02 0.15 0.17 0.17 0.11 0.10 0.15 0.15 0.07 0.10 0.14 - 19 [ 0.02 .. 0.27]
776-> LEU 122 HA - GLU 123 HN [ 1.79 3.41] 0.06 0.00 0.10 0.12 0.07 0.00 0.00 0.03 0.14 0.12 0.05 0.10 0.09 0.11 0.09 0.11 0.12 0.00 0.12 0.11 - 17 [ 0.00 .. 0.14]
778-> ALA 7 HA - TYR 10 HB3 [ 1.80 4.92] 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.42 0.00 0.00 0.03 0.00 0.00 0.00 0.14 0.14 - 6 [ 0.03 .. 1.11]
782-> VAL 9 HA - GLU 12 HN [ 1.79 3.95] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
783-> VAL 9 HA - GLU 12 HB2 [ 1.80 3.80] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.38 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.05 - 4 [ 0.05 .. 0.65]
784-> VAL 9 HA - GLU 12 HB3 [ 1.80 3.80] 0.00 1.03 1.09 1.16 0.00 0.00 1.15 0.99 0.00 0.80 0.00 0.00 0.00 0.00 0.94 0.97 0.00 0.87 0.98 0.00 - 10 [ 0.80 .. 1.16]
787-> GLU 12 HA - GLU 15 HB2 [ 1.79 3.37] 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.06 0.00 0.00 0.19 0.00 0.00 0.00 - 4 [ 0.02 .. 0.42]
788-> GLU 12 HA - GLU 15 HB3 [ 1.80 4.06] 0.00 0.10 0.24 0.00 0.35 0.00 0.00 0.00 0.44 0.24 0.58 0.00 0.74 0.00 0.15 0.00 0.00 0.00 0.15 0.00 - 9 [ 0.10 .. 0.74]
790-> GLU 13 HA - GLU 16 HB3 [ 1.79 3.55] 0.92 1.00 0.00 0.00 0.00 0.00 0.70 0.63 0.88 0.00 0.00 0.00 0.64 0.62 0.49 0.70 0.55 0.60 0.00 0.63 - 12 [ 0.49 .. 1.00]
795-> PHE 17 HA - SER 19 HN [ 1.80 4.02] 0.27 0.07 0.00 0.32 0.27 0.33 0.22 0.11 0.35 0.28 0.00 0.23 0.23 0.38 0.00 0.23 0.32 0.31 0.00 0.34 - 16 [ 0.07 .. 0.38]
802-> ALA 37 HA - LEU 40 HB3 [ 1.79 3.91] 0.65 0.31 0.61 0.50 0.88 0.31 0.44 0.31 0.68 0.31 0.46 0.92 0.49 0.63 0.57 0.42 0.52 0.41 0.59 0.47 - 20 [ 0.31 .. 0.92]
805-> ASN 64 HA - LYS 67 HB3 [ 1.80 3.80] 0.48 0.36 0.11 0.56 0.76 0.23 0.91 0.64 0.62 0.36 1.12 0.53 0.42 0.74 0.40 0.71 0.09 0.23 1.59 1.15 - 20 [ 0.09 .. 1.59]
807-> LYS 67 HA - LYS 70 HB3 [ 1.80 4.02] 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.53 0.00 0.00 0.00 0.56 0.00 0.02 0.54 0.00 0.35 0.00 0.00 - 6 [ 0.02 .. 0.56]
812-> PRO 80 HA - TRP 83 HB* [ 1.79 4.65] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 - 1 [ 0.25 .. 0.25]
813-> ILE 81 HA - LYS 84 HB3 [ 1.79 3.37] 1.13 0.00 0.00 0.00 0.03 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.05 0.62 0.00 0.00 1.32 0.00 0.00 - 6 [ 0.03 .. 1.35]
814-> SER 85 HA - THR 88 HB [ 1.79 3.37] 0.13 0.07 0.00 0.00 0.00 0.19 0.00 1.18 0.00 0.06 0.60 0.00 0.00 0.00 0.00 0.08 0.57 0.00 0.69 2.26 - 11 [ 0.00 .. 2.26]
816-> THR 88 HA - VAL 91 HN [ 1.79 4.27] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
817-> THR 88 HA - VAL 91 HB [ 1.79 4.09] 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.33 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.33 .. 1.26]
819-> GLU 101 HA - VAL 104 HB [ 1.79 3.23] 0.00 0.27 0.19 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 1.69 0.00 0.00 - 5 [ 0.11 .. 1.69]
825-> LEU 107 HA - ASP 110 HB2 [ 1.80 3.66] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
826-> LEU 107 HA - ASP 110 HB3 [ 1.79 3.95] 0.00 0.95 0.00 0.00 0.21 0.30 0.00 0.10 1.05 0.09 0.55 0.17 0.82 0.10 1.29 0.17 0.03 0.21 0.18 0.36 - 16 [ 0.03 .. 1.29]
827-> LYS 108 HA - VAL 111 HB [ 1.79 4.13] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
829-> GLU 109 HA - ARG 112 HN [ 1.79 3.59] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
830-> GLU 109 HA - ARG 112 HB2 [ 1.80 3.44] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.44 0.00 0.00 0.00 0.00 - 2 [ 0.44 .. 0.48]
832-> ASP 110 HA - LYS 113 HN [ 1.80 3.62] 0.09 0.00 0.11 0.00 0.10 0.15 0.06 0.11 0.00 0.02 0.11 0.15 0.41 0.19 0.30 0.24 0.12 0.22 0.00 0.11 - 16 [ 0.02 .. 0.41]
833-> ASP 110 HA - LYS 113 HB2 [ 1.79 3.55] 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.50 .. 0.77]
834-> ASP 110 HA - LYS 113 HB3 [ 1.80 4.56] 0.48 0.00 1.10 0.09 0.56 0.45 0.32 0.50 0.00 0.28 0.22 0.59 0.53 0.38 1.07 0.46 0.50 0.45 0.23 0.29 - 18 [ 0.09 .. 1.10]
836-> VAL 111 HA - LEU 114 HB2 [ 1.80 3.52] 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.08 0.00 0.00 0.00 0.00 - 3 [ 0.08 .. 0.32]
837-> VAL 111 HA - LEU 114 HB3 [ 1.80 4.02] 0.00 0.24 0.95 0.16 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.12 0.00 0.00 0.14 0.00 0.00 0.31 0.00 0.12 - 9 [ 0.00 .. 0.95]
841-> LEU 114 HA - PHE 117 HB3 [ 1.79 3.91] 0.32 0.23 0.19 0.35 0.24 0.28 0.25 0.19 0.14 0.51 0.30 0.40 0.72 0.17 0.00 0.50 0.22 0.15 0.49 0.37 - 19 [ 0.14 .. 0.72]
842-> VAL 115 HA - PHE 117 HN [ 1.79 3.95] 0.37 0.31 0.32 0.34 0.30 0.31 0.35 0.34 0.29 0.24 0.25 0.34 0.19 0.36 0.25 0.36 0.37 0.24 0.24 0.26 - 20 [ 0.19 .. 0.37]
845-> PHE 117 HA - ASN 120 HB3 [ 1.80 4.16] 0.61 0.33 0.35 0.46 0.51 0.09 0.19 0.42 0.38 0.00 0.41 0.81 0.81 0.47 0.41 0.47 0.14 0.43 0.39 0.49 - 19 [ 0.09 .. 0.81]
846-> ALA 118 HA - SER 121 HB2 [ 1.80 3.80] 0.00 0.60 0.56 0.00 0.00 0.00 0.84 0.91 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 - 6 [ 0.48 .. 1.15]
847-> ALA 118 HA - SER 121 HB3 [ 1.80 3.80] 0.00 0.00 0.00 0.46 0.08 0.57 0.00 0.00 0.31 0.43 0.07 0.84 0.00 0.76 0.53 0.75 0.70 0.90 0.29 0.00 - 14 [ 0.00 .. 0.90]
849-> THR 5 HB - ALA 7 HN [ 1.79 3.37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.98 .. 0.98]
856-> ILE 50 HA - ASN 53 HB3 [ 1.79 4.49] 0.00 0.00 0.49 1.33 0.01 0.88 0.00 0.41 0.00 0.00 0.00 0.91 0.00 0.87 0.00 0.59 0.05 0.00 0.48 0.00 - 10 [ 0.01 .. 1.33]
857-> THR 51 HA - VAL 54 HB [ 1.79 3.91] 1.04 0.00 0.89 0.00 0.00 0.00 1.02 0.90 0.95 1.08 0.00 0.00 1.07 0.00 1.01 0.00 0.97 1.10 0.00 0.00 - 10 [ 0.89 .. 1.10]
859-> GLU 101 HA - VAL 104 HN [ 1.80 3.44] 0.13 0.63 0.44 0.00 0.49 0.10 0.08 0.19 0.49 0.42 0.38 0.00 0.06 0.23 0.29 0.28 0.07 0.00 0.09 0.13 - 18 [ 0.00 .. 0.63]
861-> ARG 73 HB2 - THR 77 HA [ 1.80 3.98] 0.00 0.00 0.00 1.03 0.02 0.00 0.00 0.08 0.00 0.59 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 1.55 - 6 [ 0.02 .. 1.55]
863-> ASN 120 HA - GLU 123 HB* [ 1.80 4.86] 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 - 3 [ 0.35 .. 0.78]
864-> VAL 54 HA - ASN 56 HN [ 1.80 3.44] 0.16 0.64 0.90 0.95 0.75 0.82 0.20 0.08 0.37 0.71 0.62 0.75 0.25 0.56 0.00 0.84 0.57 0.23 0.73 0.68 - 19 [ 0.08 .. 0.95]
868-> ILE 3 HA - ILE 3 HG12 [ 1.80 3.98] 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.23 .. 0.23]
877-> GLU 16 HN - GLU 16 HG3 [ 1.79 4.09] 0.00 0.00 0.24 0.26 0.26 0.27 0.00 0.00 0.00 0.27 0.24 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 - 8 [ 0.24 .. 0.27]
881-> GLN 25 HN - GLN 25 HG2 [ 1.80 3.48] 0.01 0.00 0.11 0.06 0.00 0.19 0.08 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.10 0.01 0.04 0.00 0.11 0.00 - 10 [ 0.01 .. 0.19]
883-> GLN 25 HN - GLN 25 HG3 [ 1.80 3.48] 0.00 0.32 0.00 0.00 0.32 0.00 0.00 0.31 0.31 0.32 0.24 0.31 0.00 0.31 0.00 0.00 0.00 0.32 0.00 0.33 - 10 [ 0.24 .. 0.33]
884-> GLN 25 HA - GLN 25 HG3 [ 1.79 3.37] 0.00 0.24 0.00 0.00 0.24 0.00 0.00 0.24 0.24 0.24 0.24 0.24 0.00 0.24 0.00 0.00 0.00 0.25 0.00 0.23 - 10 [ 0.23 .. 0.25]
885-> LYS 32 HN - LYS 32 HG3 [ 1.79 4.31] 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
892-> LEU 40 HB3 - LEU 40 HG [ 1.80 2.90] 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 0.14 - 20 [ 0.14 .. 0.14]
901-> GLU 44 HN - GLU 44 HG3 [ 1.80 4.20] 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.18 0.15 - 5 [ 0.14 .. 0.24]
911-> LYS 55 HA - LYS 55 HG2 [ 1.80 3.66] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
936-> GLU 78 HN - GLU 78 HG2 [ 1.79 3.59] 0.00 0.20 0.05 0.08 0.00 0.10 0.00 0.00 0.13 0.07 0.01 0.08 0.00 0.00 0.17 0.11 0.02 0.00 0.00 0.24 - 12 [ 0.01 .. 0.24]
938-> GLU 78 HN - GLU 78 HG3 [ 1.79 3.59] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 - 1 [ 0.18 .. 0.18]
939-> GLU 78 HA - GLU 78 HG3 [ 1.80 3.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 - 1 [ 0.43 .. 0.43]
946-> LEU 89 HN - LEU 89 HG [ 1.80 4.34] 0.00 0.14 0.10 0.00 0.11 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.10 0.00 0.00 0.00 0.10 0.00 0.00 0.00 - 6 [ 0.10 .. 0.14]
948-> LEU 97 HN - LEU 97 HG [ 1.80 4.20] 0.00 0.00 0.19 0.00 0.24 0.00 0.00 0.30 0.00 0.00 0.28 0.00 0.00 0.17 0.00 0.25 0.00 0.01 0.00 0.25 - 8 [ 0.01 .. 0.30]
950-> LEU 97 HB3 - LEU 97 HG [ 1.80 2.94] 0.10 0.10 0.00 0.10 0.00 0.00 0.10 0.00 0.10 0.10 0.00 0.10 0.10 0.00 0.10 0.00 0.00 0.00 0.10 0.00 - 10 [ 0.10 .. 0.10]
952-> LYS 102 HN - LYS 102 HG2 [ 1.79 4.27] 0.00 0.00 0.00 0.19 0.16 0.00 0.00 0.00 0.00 0.16 0.17 0.00 0.18 0.00 0.00 0.00 0.18 0.00 0.00 0.00 - 6 [ 0.16 .. 0.19]
959-> LYS 106 HA - LYS 106 HG3 [ 1.80 3.34] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.39 .. 0.39]
963-> LEU 114 HB3 - LEU 114 HG [ 1.80 2.58] 0.46 0.46 0.46 0.46 0.46 0.00 0.46 0.46 0.46 0.00 0.00 0.46 0.00 0.46 0.46 0.00 0.46 0.46 0.00 0.46 - 14 [ 0.46 .. 0.46]
968-> GLU 123 HA - GLU 123 HG2 [ 1.79 3.37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 - 1 [ 0.42 .. 0.42]
969-> GLU 123 HN - GLU 123 HG2 [ 1.79 3.91] 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 - 3 [ 0.06 .. 0.94]
970-> GLU 123 HN - GLU 123 HG3 [ 1.79 3.91] 0.00 0.59 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 - 3 [ 0.10 .. 0.59]
971-> GLU 123 HA - GLU 123 HG3 [ 1.79 3.37] 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 - 3 [ 0.28 .. 0.34]
973-> ILE 3 HG12 - SER 4 HN [ 1.80 4.34] 0.24 0.00 0.33 0.08 0.30 0.34 0.00 0.36 0.23 0.00 0.01 0.00 0.35 0.45 0.31 0.40 0.31 0.07 0.00 0.31 - 15 [ 0.01 .. 0.45]
974-> ILE 3 HG13 - SER 4 HN [ 1.80 4.34] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.61 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 - 4 [ 0.41 .. 0.61]
977-> ARG 73 HD* - SER 74 HN [ 1.79 5.19] 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.32 .. 0.44]
986-> LEU 41 HA - ASN 45 HD22 [ 1.79 5.57] 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 2.52 0.00 1.75 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 1.75 .. 2.89]
990-> ARG 73 HG3 - THR 77 HA [ 1.79 3.59] 0.43 0.69 0.00 0.75 0.00 1.09 0.00 0.00 0.91 0.34 0.00 0.48 0.00 0.00 0.44 0.78 0.00 0.00 0.68 1.09 - 11 [ 0.34 .. 1.09]
991-> ARG 73 HG2 - THR 77 HA [ 1.79 3.59] 1.34 1.40 0.00 0.00 0.00 1.82 0.00 0.00 1.49 0.00 0.00 1.32 0.00 0.00 0.00 1.58 0.00 0.00 1.50 0.00 - 7 [ 1.32 .. 1.82]
994-> ALA 86 HA - LEU 89 HG [ 1.80 3.44] 1.35 1.91 1.75 1.40 1.44 0.93 1.26 0.23 0.00 1.35 0.27 1.22 1.42 0.00 1.17 0.92 1.60 1.10 0.00 0.00 - 16 [ 0.23 .. 1.91]
995-> LEU 89 HG - LEU 107 HG [ 1.80 2.94] 4.05 3.97 4.72 3.79 3.62 4.71 3.70 2.74 2.09 4.27 2.90 3.97 4.67 3.56 3.70 3.99 6.04 4.01 2.35 3.28 - 20 [ 2.09 .. 6.04]
1001-> LEU 82 HA - ASP 110 HB3 [ 1.80 4.16] 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.66 .. 0.66]
1002-> LEU 41 HG - ALA 118 HA [ 1.80 4.06] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.26 .. 0.26]
1009-> LEU 18 HA - LEU 18 HD1* [ 1.79 3.71] 0.00 0.15 0.15 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.14 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.14 0.10 - 7 [ 0.10 .. 0.15]
1039-> LEU 71 HA - LEU 71 HD2* [ 1.79 3.49] 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.34 0.34 0.00 0.00 - 4 [ 0.31 .. 0.36]
1053-> LEU 97 HA - LEU 97 HD2* [ 1.80 3.78] 0.00 0.00 0.13 0.00 0.11 0.01 0.00 0.08 0.00 0.00 0.10 0.00 0.00 0.11 0.00 0.10 0.03 0.05 0.00 0.12 - 10 [ 0.01 .. 0.13]
1058-> LEU 107 HA - LEU 107 HD2* [ 1.80 3.78] 0.09 0.00 0.00 0.09 0.01 0.09 0.09 0.00 0.00 0.03 0.00 0.10 0.12 0.13 0.10 0.09 0.08 0.08 0.00 0.14 - 14 [ 0.01 .. 0.14]
1088-> LEU 97 HD1* - SER 98 HN [ 1.80 4.90] 0.77 0.75 0.00 0.73 0.00 0.00 0.73 0.00 0.00 0.71 0.00 0.71 0.69 0.00 0.74 0.00 0.00 0.00 0.00 0.00 - 8 [ 0.69 .. 0.77]
1106-> THR 5 HB - LEU 40 HD2* [ 1.80 4.82] 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.30 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.30 .. 2.08]
1124-> LEU 97 HD1* - SER 98 HA [ 1.80 6.88] 0.00 0.27 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.22 .. 0.27]
1131-> LEU 23 HD2* - GLU 101 HB3 [ 1.79 5.43] 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.57 .. 0.68]
1133-> VAL 24 HG1* - SER 98 HA [ 1.80 4.86] 1.83 0.00 0.10 1.95 0.00 0.00 0.00 1.96 3.55 0.00 0.00 2.16 0.87 0.00 0.00 0.00 0.00 1.49 0.62 0.00 - 9 [ 0.10 .. 3.55]
1156-> ALA 34 HA - LEU 114 HD2* [ 1.80 5.40] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.28 .. 0.28]
1164-> GLU 35 HG3 - LEU 65 HD2* [ 1.79 6.05] 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 - 2 [ 0.08 .. 0.36]
1170-> ILE 38 HD1* - LEU 72 HD1* [ 1.79 6.13] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.51 .. 0.51]
1177-> LEU 41 HD2* - ASN 45 HD22 [ 1.79 5.43] 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.89 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.89 .. 2.29]
1178-> LEU 41 HD2* - ASN 45 HD21 [ 1.79 5.43] 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.10 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.10 .. 1.86]
1188-> VAL 42 HG2* - TRP 60 HZ3 [ 1.80 6.12] 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.47 .. 1.47]
1197-> ILE 50 HD1* - LYS 67 HB3 [ 1.80 4.18] 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.86 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.86 .. 1.57]
1198-> ILE 50 HD1* - LYS 67 HG2 [ 1.80 4.90] 0.05 0.04 0.00 0.00 0.00 0.00 2.28 0.00 0.85 0.00 0.00 0.00 0.51 2.73 1.94 0.40 0.06 0.75 0.00 0.00 - 10 [ 0.04 .. 2.73]
1207-> LEU 65 HD2* - TRP 83 HZ2 [ 1.80 4.54] 0.45 0.00 0.62 1.04 0.79 0.16 0.94 0.00 0.00 0.45 0.37 0.00 0.64 1.04 0.00 0.00 0.69 4.73 0.00 0.00 - 12 [ 0.16 .. 4.73]
1208-> ALA 68 HA - LEU 71 HD1* [ 1.79 4.61] 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.63 0.30 0.00 0.00 - 4 [ 0.30 .. 1.27]
1238-> THR 88 HA - VAL 91 HG2* [ 1.79 4.97] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.50 .. 0.50]
1239-> LEU 97 HD1* - LEU 99 HN [ 1.80 5.94] 1.16 0.07 0.00 1.93 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.35 0.26 0.00 - 7 [ 0.07 .. 1.93]
1245-> VAL 104 HA - LEU 107 HD2* [ 1.80 4.28] 0.00 0.91 0.59 0.00 0.00 0.00 0.00 0.78 0.86 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 - 6 [ 0.59 .. 0.92]
1246-> LYS 106 HE* - LEU 107 HD2* [ 1.80 6.42] 2.15 0.00 0.00 0.33 0.00 2.08 2.16 0.00 0.00 0.00 0.00 2.25 2.46 2.21 2.22 2.17 2.10 2.12 0.51 2.24 - 13 [ 0.33 .. 2.46]
1252-> LYS 108 HA - VAL 111 HG2* [ 1.80 4.82] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.14 .. 0.14]
1271-> ILE 116 HG2* - ASN 120 HD22 [ 1.79 4.57] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.96 0.00 0.00 - 3 [ 0.96 .. 1.55]
1272-> ILE 116 HG2* - ASN 120 HD21 [ 1.79 4.57] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 1.80 0.00 0.00 1.78 0.00 0.00 - 3 [ 0.92 .. 1.80]
1276-> LEU 41 HD1* - ALA 118 HA [ 1.79 3.85] 0.24 0.19 0.42 0.25 0.70 0.05 0.24 0.00 1.14 0.09 0.00 0.00 0.43 0.05 0.54 0.00 0.00 0.00 0.00 0.46 - 13 [ 0.05 .. 1.14]
1280-> VAL 119 HA - LEU 122 HD1* [ 1.79 4.75] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.45 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 - 3 [ 0.27 .. 1.06]
1285-> ILE 50 HD1* - LYS 67 HB2 [ 1.80 5.36] 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.19 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.11 .. 0.57]
1286-> SER 85 HA - LEU 107 HD2* [ 1.80 4.50] 0.73 0.00 0.16 0.91 0.00 1.87 1.22 0.00 0.00 0.00 0.00 1.15 1.91 1.40 1.13 1.19 1.47 0.94 0.00 1.68 - 13 [ 0.16 .. 1.91]
1295-> GLU 49 HG3 - LEU 71 HD1* [ 1.80 5.62] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.96 .. 1.75]
1296-> GLU 49 HG2 - LEU 71 HD1* [ 1.80 5.62] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.07 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.07 .. 1.48]
1297-> ILE 50 HD1* - LYS 67 HG3 [ 1.80 4.90] 0.04 0.07 0.00 0.00 0.00 0.00 2.45 0.00 0.70 0.02 0.19 0.00 0.34 2.87 2.34 0.26 0.16 0.70 0.00 0.00 - 12 [ 0.02 .. 2.87]
1299-> TRP 87 HE1 - VAL 91 HG2* [ 1.80 4.86] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.49 .. 0.49]
1301-> THR 88 HB - LEU 107 HD2* [ 1.79 4.61] 1.54 0.39 1.98 1.38 0.00 3.09 1.56 0.00 0.00 0.00 0.00 1.90 2.26 1.63 1.64 2.13 3.02 1.33 0.00 3.05 - 14 [ 0.39 .. 3.09]
1302-> LEU 89 HD1* - VAL 111 HG2* [ 1.79 6.85] 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 - 3 [ 0.20 .. 1.44]
1309-> LEU 89 HD2* - VAL 111 HG2* [ 1.79 6.85] 0.51 0.00 0.00 0.51 0.00 0.57 0.32 0.00 0.00 0.00 0.00 0.45 0.00 0.00 1.26 0.29 0.00 0.75 0.00 0.00 - 8 [ 0.29 .. 1.26]
1310-> VAL 111 HG2* - LEU 114 HD1* [ 1.79 5.95] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
1316-> VAL 42 HA - LEU 72 HD2* [ 1.80 5.08] 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.01 .. 0.32]
1318-> LEU 18 HD1* - GLU 101 HG* [ 1.80 6.14] 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
1320-> LEU 18 HD1* - LEU 23 HA [ 1.79 4.57] 0.00 0.84 0.79 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.78 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.77 0.75 - 7 [ 0.75 .. 0.94]
1323-> ILE 50 HN - THR 51 HG2* [ 1.80 5.36] 0.41 0.36 0.00 0.00 0.41 0.00 0.37 0.00 0.34 0.23 0.41 0.00 0.44 0.00 0.46 0.00 0.00 0.24 0.20 0.43 - 12 [ 0.20 .. 0.46]
1325-> TRP 60 HB2 - TRP 60 HD1 [ 1.79 3.59] 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
1326-> TRP 83 HA - TRP 83 HE3 [ 1.79 2.87] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 1.28 1.84 2.03 - 5 [ 1.28 .. 2.03]
1327-> TRP 83 HA - TRP 83 HZ3 [ 1.79 4.49] 0.11 0.00 0.12 0.22 0.26 0.23 0.29 2.24 0.09 0.07 0.00 0.08 0.03 0.14 2.32 0.00 0.00 2.00 2.28 2.47 - 16 [ 0.03 .. 2.47]
1328-> GLU 35 HA - TRP 83 HZ3 [ 1.80 2.94] 0.05 0.54 0.29 0.00 0.00 0.00 0.87 7.40 0.00 0.97 1.71 0.55 0.00 0.16 7.12 0.00 0.77 6.00 6.84 6.17 - 14 [ 0.05 .. 7.40]
1329-> TRP 87 HB2 - TRP 87 HD1 [ 1.80 3.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.00 .. 0.12]
1330-> TRP 87 HA - TRP 87 HE3 [ 1.80 3.44] 1.82 1.17 1.16 1.14 0.00 1.71 1.14 0.00 0.00 1.32 1.27 1.15 1.29 0.00 1.16 1.20 1.31 1.19 0.00 1.81 - 15 [ 1.14 .. 1.82]
1346-> TYR 31 HE* - TRP 83 HH2 [ 1.80 5.22] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.52 1.69 0.00 - 4 [ 0.73 .. 2.07]
1348-> TYR 31 HE* - TRP 87 HE3 [ 1.80 5.22] 1.14 1.00 0.87 0.76 0.01 1.80 1.05 0.00 0.00 3.01 1.77 0.83 1.90 0.00 0.65 1.69 2.50 0.88 0.00 1.51 - 16 [ 0.01 .. 3.01]
1363-> LYS 39 HA - TRP 60 HH2 [ 1.79 3.73] 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.47 0.00 0.00 0.10 0.98 0.00 0.00 - 5 [ 0.10 .. 2.04]
1364-> ILE 43 HG12 - TRP 60 HZ2 [ 1.79 3.95] 0.08 0.67 2.15 0.22 0.00 0.35 1.50 0.84 0.49 0.91 1.28 1.29 0.00 0.05 2.39 0.00 0.09 0.00 1.34 1.15 - 16 [ 0.05 .. 2.39]
1365-> VAL 42 HB - TRP 60 HH2 [ 1.80 3.52] 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.15 .. 2.78]
1366-> TRP 60 HE3 - LEU 65 HG [ 1.80 4.52] 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 2.15 .. 2.30]
1367-> GLU 35 HA - TRP 83 HE3 [ 1.79 4.09] 0.00 0.10 0.19 0.35 0.82 0.00 0.74 5.33 0.27 0.72 1.37 0.52 0.00 0.50 5.13 0.11 0.53 3.13 4.78 4.19 - 17 [ 0.10 .. 5.33]
1368-> GLU 35 HA - TRP 83 HH2 [ 1.80 3.52] 0.86 0.76 0.96 0.43 0.00 0.00 1.69 5.87 0.00 0.77 1.96 0.53 0.00 0.18 5.53 0.00 0.56 6.72 5.31 4.74 - 15 [ 0.18 .. 6.72]
1369-> LEU 65 HB3 - TRP 83 HZ2 [ 1.79 3.23] 0.31 0.17 0.25 0.81 0.46 0.00 0.69 0.00 0.00 0.19 0.16 0.00 0.35 0.74 0.00 0.00 0.42 5.34 0.00 0.00 - 12 [ 0.16 .. 5.34]
1370-> LEU 65 HB3 - TRP 83 HH2 [ 1.80 4.16] 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.30 0.00 0.06 0.75 0.00 0.49 0.24 0.54 4.92 0.57 0.14 - 11 [ 0.06 .. 4.92]
1387-> TRP 87 HD1 - VAL 91 HG2* [ 1.79 4.61] 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.16 .. 2.14]
1392-> TRP 60 HZ3 - ALA 68 HB* [ 1.79 6.19] 0.00 2.91 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.35 .. 2.91]
1393-> VAL 42 HG1* - TRP 60 HH2 [ 1.80 3.78] 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.56 .. 1.56]
1394-> ILE 43 HD1* - TRP 60 HH2 [ 1.80 5.54] 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.24 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.01 0.36 - 5 [ 0.01 .. 0.36]
1395-> ILE 50 HG2* - TRP 60 HH2 [ 1.79 4.39] 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 1.77]
1396-> VAL 42 HG1* - TRP 60 HZ2 [ 1.79 4.61] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.31 .. 0.31]
1397-> ILE 43 HD1* - TRP 60 HZ2 [ 1.80 4.46] 0.00 0.00 0.91 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.58 .. 1.49]
1400-> VAL 42 HG1* - TRP 60 HZ3 [ 1.80 4.50] 0.00 2.43 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.31 .. 2.43]
1401-> ILE 50 HG2* - TRP 60 HZ3 [ 1.80 4.46] 0.00 2.61 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.11 .. 2.61]
1402-> TRP 60 HZ3 - LEU 65 HD2* [ 1.80 5.00] 0.00 1.81 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.12 .. 1.81]
1403-> TRP 60 HE3 - LEU 65 HD1* [ 1.79 5.29] 0.00 0.77 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.77 .. 1.20]
1404-> ILE 50 HG2* - TRP 60 HE3 [ 1.79 6.05] 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.54 .. 0.54]
1405-> TRP 60 HE3 - LEU 65 HD2* [ 1.79 4.39] 0.00 0.86 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.86 .. 1.16]
1406-> VAL 54 HG1* - TRP 60 HD1 [ 1.79 4.75] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.13 0.93 0.00 0.00 - 3 [ 0.13 .. 0.93]
1408-> TRP 87 HZ2 - VAL 91 HG1* [ 1.79 5.51] 0.45 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.68 0.00 - 4 [ 0.01 .. 1.02]
1410-> ALA 34 HB* - TRP 83 HE3 [ 1.80 4.10] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.80 2.70 2.29 - 5 [ 0.80 .. 3.31]
1411-> ILE 38 HD1* - TRP 83 HE3 [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.51 0.00 - 3 [ 0.51 .. 0.94]
1412-> ALA 34 HB* - TRP 83 HZ3 [ 1.79 3.99] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4.75 0.00 0.00 0.00 0.00 0.00 0.00 3.65 0.00 0.00 2.86 4.18 3.71 - 5 [ 2.86 .. 4.75]
1413-> ILE 38 HD1* - TRP 83 HZ3 [ 1.80 5.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.30 0.00 2.05 0.00 0.00 1.05 1.73 0.22 - 6 [ 0.22 .. 2.19]
1414-> LEU 65 HD1* - TRP 83 HZ2 [ 1.79 4.39] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4.84 0.00 0.00 - 1 [ 4.84 .. 4.84]
1415-> LEU 65 HD1* - TRP 83 HH2 [ 1.80 3.92] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 5.34 1.20 0.58 - 5 [ 0.58 .. 5.34]
1416-> LEU 65 HD2* - TRP 83 HH2 [ 1.80 4.82] 0.00 0.00 0.00 0.03 0.14 0.00 0.00 1.51 0.00 0.27 0.00 0.00 0.98 0.37 1.50 0.00 0.73 5.06 1.53 1.07 - 11 [ 0.03 .. 5.06]
1417-> VAL 42 HG2* - TRP 60 HH2 [ 1.79 3.81] 0.00 2.71 0.18 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.44 0.00 0.00 - 5 [ 0.18 .. 2.71]
1418-> THR 51 HG2* - TRP 60 HZ2 [ 1.79 4.43] 0.56 0.48 0.13 0.00 0.20 0.24 0.69 0.00 0.00 1.06 0.07 0.24 0.00 0.00 0.50 0.00 0.00 0.24 0.86 1.16 - 13 [ 0.07 .. 1.16]
1426-> GLU 8 HN - GLU 8 HG* [ 1.80 3.74] 0.23 0.00 0.00 0.00 0.23 0.00 0.23 0.23 0.00 0.00 0.26 0.25 0.20 0.00 0.00 0.25 0.22 0.23 0.00 0.23 - 11 [ 0.20 .. 0.26]
1453-> GLU 16 HN - GLU 16 HG* [ 1.80 3.66] 0.00 0.00 0.28 0.29 0.28 0.30 0.00 0.00 0.00 0.29 0.31 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 - 8 [ 0.28 .. 0.31]
1498-> GLU 35 HB* - TRP 83 HZ2 [ 1.79 4.43] 0.32 0.00 2.12 2.02 1.74 0.58 2.60 3.12 0.62 1.53 2.39 0.64 0.38 1.65 2.40 0.16 1.29 6.29 2.25 0.64 - 19 [ 0.16 .. 6.29]
1499-> GLU 35 HB* - TRP 83 HH2 [ 1.80 4.40] 0.00 0.00 0.16 0.00 0.00 0.00 0.43 5.37 0.00 0.10 0.60 0.00 0.00 0.00 4.75 0.00 0.00 6.05 4.54 2.85 - 9 [ 0.10 .. 6.05]
1503-> GLU 35 HG* - TRP 83 HH2 [ 1.80 4.22] 0.43 0.05 0.00 0.00 0.00 0.00 1.41 3.76 0.00 0.00 1.45 0.00 0.00 0.00 5.07 0.00 0.00 4.12 4.41 5.18 - 9 [ 0.05 .. 5.18]
1505-> GLU 36 HN - GLU 36 HG* [ 1.79 3.93] 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.11 .. 0.11]
1511-> ILE 38 HG1* - TRP 83 HE3 [ 1.79 4.07] 0.00 0.02 0.19 0.00 0.00 0.00 0.05 2.36 0.00 0.12 0.39 0.00 0.00 0.00 1.70 0.00 0.10 2.91 1.75 2.26 - 11 [ 0.02 .. 2.91]
1512-> ILE 38 HG1* - TRP 83 HZ3 [ 1.79 4.47] 0.32 0.49 0.76 0.13 0.00 0.00 0.81 3.27 0.00 0.68 1.13 0.52 0.00 0.19 2.82 0.00 0.73 4.21 2.61 3.23 - 15 [ 0.13 .. 4.21]
1515-> LEU 41 HA - ASN 45 HD2* [ 1.80 5.38] 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.37 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.37 .. 1.65]
1518-> LEU 41 HB2 - ASN 45 HD22 [ 1.80 7.76] 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.33 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.33 .. 1.00]
1519-> LEU 41 HD1* - ASN 45 HD2* [ 1.80 6.04] 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.00 .. 1.10]
1520-> LEU 41 HD2* - ASN 45 HD2* [ 1.79 5.27] 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.60 .. 1.40]
1543-> GLU 49 HG* - LEU 71 HD1* [ 1.79 5.37] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.07 .. 1.07]
1548-> ILE 50 HD1* - LYS 67 HD* [ 1.80 5.42] 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.96 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.96 .. 1.45]
1551-> LYS 55 HB* - ASN 56 HN [ 1.80 3.60] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
1579-> ALA 68 HA - LEU 71 HB* [ 1.80 4.72] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.32 .. 0.32]
1588-> LEU 71 HB* - LEU 72 HN [ 1.80 3.68] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.01 - 2 [ 0.01 .. 0.11]
1596-> ARG 73 HG* - THR 77 HA [ 1.80 3.40] 0.45 0.64 0.00 0.00 0.00 1.01 0.00 0.00 0.82 0.00 0.00 0.49 0.00 0.00 0.00 0.75 0.00 0.00 0.66 0.00 - 7 [ 0.45 .. 1.01]
1630-> PHE 94 HN - HIS 95 HB* [ 1.80 5.26] 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.16 0.00 0.00 0.00 0.00 0.08 0.17 0.03 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.03 .. 0.23]
1638-> GLU 101 HG* - LYS 105 HG* [ 1.79 6.11] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 - 1 [ 1.23 .. 1.23]
1639-> GLU 101 HG* - LYS 105 HE* [ 1.80 6.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 - 1 [ 1.85 .. 1.85]
1670-> ILE 116 HG2* - ASN 120 HD2* [ 1.80 4.40] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.81 0.00 0.00 - 3 [ 0.72 .. 0.85]
1673-> ALA 118 HA - SER 121 HB* [ 1.80 3.28] 0.00 0.15 0.05 0.00 0.00 0.00 0.20 0.37 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 - 6 [ 0.05 .. 0.46]
1678-> GLU 123 HN - GLU 123 HG* [ 1.80 3.58] 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 - 2 [ 0.43 .. 0.49]
-------------------------------------------
Number of Violations greater than 0.10 88 115 112 92 87 76 97 97 104 94 99 97 104 85 131 82 85 115 101 116
-------------------------------------------
---- Summary Of Residual Distance Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
0.1 - 0.2 ang: 22 35 31 20 32 22 26 20 24 27 23 23 26 29 30 21 27 19 27 32 25.80
0.2 - 0.5 ang: 38 37 38 35 40 34 33 40 45 37 43 40 36 30 48 37 25 42 36 46 38.00
> 0.5 ang: 28 43 43 37 15 20 38 37 35 30 33 34 42 26 53 24 33 54 38 38 35.05
Total : 121 144 135 125 124 115 128 126 134 125 137 129 135 113 169 104 119 148 134 142 130.35
Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Maximum Violation : 4.053 3.965 4.721 3.791 3.622 4.710 3.702 7.404 3.551 4.274 2.902 3.970 4.667 3.562 7.123 3.995 6.035 6.723 6.843 6.171 7.404
Max Intra Viol : 1.818 1.167 1.157 1.138 0.574 1.709 1.205 2.240 0.542 1.319 1.268 1.150 1.289 0.991 2.316 1.203 1.307 1.997 2.281 2.474 2.474
Max Seque Viol : 2.148 0.926 0.587 1.150 0.651 2.082 2.159 0.695 0.706 0.753 1.015 2.250 2.462 2.212 2.224 2.166 2.103 2.120 0.658 2.241 2.462
Max Medium Viol : 1.348 1.909 2.164 1.928 1.443 1.816 1.270 1.347 2.521 1.554 2.143 1.321 2.891 0.872 1.799 1.581 1.598 1.853 1.585 2.264 2.891
Max Long Viol : 4.053 3.965 4.721 3.791 3.622 4.710 3.702 7.404 3.551 4.274 2.902 3.970 4.667 3.562 7.123 3.995 6.035 6.723 6.843 6.171 7.404
Average Violation : 0.029 0.044 0.040 0.033 0.021 0.027 0.037 0.057 0.033 0.029 0.034 0.031 0.041 0.031 0.069 0.026 0.031 0.081 0.052 0.056 0.04006
Avge Intra Viol : 0.023 0.023 0.019 0.022 0.023 0.022 0.025 0.028 0.017 0.019 0.021 0.026 0.021 0.019 0.029 0.021 0.024 0.031 0.026 0.038 0.02388
Avge Seque Viol : 0.030 0.035 0.051 0.040 0.018 0.028 0.023 0.030 0.059 0.032 0.039 0.032 0.064 0.016 0.044 0.034 0.022 0.045 0.029 0.027 0.03485
Avge Mediu Viol : 0.022 0.016 0.012 0.021 0.013 0.016 0.021 0.014 0.018 0.018 0.019 0.023 0.021 0.016 0.028 0.016 0.015 0.019 0.015 0.023 0.01819
Avge Long Viol : 0.047 0.128 0.097 0.055 0.032 0.048 0.095 0.196 0.041 0.057 0.068 0.048 0.067 0.090 0.225 0.036 0.074 0.292 0.171 0.167 0.10166
RMS Violation : 0.179 0.250 0.224 0.189 0.134 0.196 0.213 0.405 0.180 0.182 0.190 0.180 0.239 0.204 0.410 0.171 0.223 0.514 0.364 0.362 0.26949
RMS Intra : 0.117 0.098 0.088 0.098 0.084 0.109 0.113 0.151 0.069 0.091 0.097 0.105 0.096 0.088 0.157 0.098 0.115 0.151 0.144 0.187 0.11650
RMS Sequential : 0.157 0.178 0.224 0.198 0.110 0.160 0.139 0.149 0.242 0.165 0.189 0.153 0.292 0.094 0.187 0.160 0.124 0.215 0.153 0.167 0.17860
RMS Medium range : 0.142 0.087 0.067 0.114 0.062 0.122 0.141 0.074 0.089 0.090 0.098 0.152 0.152 0.130 0.157 0.132 0.125 0.138 0.076 0.142 0.11863
RMS Long range : 0.298 0.515 0.423 0.322 0.250 0.362 0.412 0.895 0.270 0.339 0.338 0.307 0.375 0.422 0.882 0.287 0.451 1.135 0.795 0.760 0.55122
Final --global-- Summary for 20 models, 1681 NOEs/model, 33620 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 1346.954
Summ sq. viol : 2441.601
Maximum viol : 7.404
Average viol : 0.04006
RMSD viol : 0.26949
Std. Dev. viol : 0.26649
RMS Intra : 0.11650
RMS Seque : 0.17860
RMS Medi : 0.11863
RMS Long : 0.55122
table of dihedral angle constraints violations
1-> [ALA A 7] PHI -71.0 -49.0 0.0 0.0 0.0 1.8 0.0 1.4 8.1 0.0 5.5 0.0 2.0 0.0 0.0 0.0 3.2 0.0 0.0 0.0 0.0 1.1 - 7 [ 0.0 .. 8.1]
3-> [GLU A 8] PHI -75.0 -53.0 0.0 15.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.8 0.0 - 2 [ 0.0 .. 15.2]
4-> [GLU A 8] PSI -51.0 -29.0 0.0 0.0 7.0 8.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.4 0.0 0.0 7.2 0.0 0.0 0.0 2.3 0.0 - 5 [ 0.0 .. 8.8]
7-> [TYR A 10] PHI -73.0 -51.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 4.8 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 4.8]
14-> [GLU A 13] PSI -55.0 -29.0 0.0 0.0 2.4 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.4 0.0 - 3 [ 0.0 .. 2.4]
19-> [GLU A 16] PHI -79.0 -57.0 0.0 0.0 2.6 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.9 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 - 4 [ 0.0 .. 4.9]
21-> [PHE A 17] PHI -79.0 -47.0 0.0 1.8 2.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5 0.0 - 4 [ 0.0 .. 5.9]
22-> [PHE A 17] PSI -51.0 -29.0 0.0 0.0 2.1 0.0 0.0 0.0 0.0 0.0 0.0 2.5 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 - 4 [ 0.0 .. 2.5]
27-> [GLN A 25] PHI -71.0 -49.0 0.0 0.9 4.0 1.7 2.8 2.6 3.7 1.9 1.7 3.7 0.0 0.1 0.1 1.2 3.9 0.0 5.4 4.1 4.3 2.8 - 17 [ 0.0 .. 5.4]
28-> [GLN A 25] PSI -57.0 -29.0 0.4 0.0 4.0 4.9 0.0 0.0 5.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.5 2.9 0.0 - 7 [ 0.0 .. 5.2]
29-> [ALA A 26] PHI -79.0 -57.0 0.0 0.0 0.0 0.0 2.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.0]
30-> [ALA A 26] PSI -51.0 -31.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.0]
34-> [GLU A 28] PSI -57.0 -33.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.5]
36-> [LYS A 29] PSI -67.0 -9.0 0.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.6]
37-> [TYR A 30] PHI -77.0 -53.0 0.0 3.1 2.6 0.0 4.8 0.0 0.0 1.7 0.0 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.2 0.0 - 6 [ 0.0 .. 4.8]
38-> [TYR A 30] PSI -73.0 -11.0 0.0 6.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.5]
41-> [LYS A 32] PHI -71.0 -49.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.9 0.0 0.0 3.2 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.2]
42-> [LYS A 32] PSI -57.0 -29.0 0.0 0.0 0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.7 0.0 0.0 0.0 4.5 0.0 0.0 0.0 2.3 0.0 - 4 [ 0.0 .. 4.5]
47-> [GLU A 35] PHI -75.0 -49.0 3.9 3.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 - 3 [ 0.0 .. 3.9]
54-> [ILE A 38] PSI -49.0 -27.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.2]
56-> [LYS A 39] PSI -57.0 -33.0 0.0 0.0 0.0 0.0 5.2 0.0 0.0 6.9 0.0 0.0 0.0 0.0 6.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 6.9]
57-> [LEU A 40] PHI -75.0 -51.0 0.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.7]
60-> [LEU A 41] PSI -59.0 -27.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.7 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 2.7]
61-> [VAL A 42] PHI -89.0 -49.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.9 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.9]
64-> [ILE A 43] PSI -51.0 -27.0 0.0 0.0 0.0 0.9 0.0 3.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.5 0.0 0.0 0.0 - 3 [ 0.0 .. 3.5]
65-> [GLU A 44] PHI -79.0 -49.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 6.6 0.0 0.0 0.0 0.0 0.0 0.0 2.7 0.0 0.0 - 3 [ 0.0 .. 6.6]
66-> [GLU A 44] PSI -49.0 -15.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 13.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 13.8]
77-> [ASN A 64] PHI -79.0 -47.0 0.0 0.0 5.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 5.1]
78-> [ASN A 64] PSI -55.0 -25.0 0.0 0.0 3.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.4]
79-> [LEU A 65] PHI -81.0 -51.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16.7 0.0 - 1 [ 0.0 .. 16.7]
80-> [LEU A 65] PSI -51.0 -29.0 0.0 0.0 0.0 0.0 7.9 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 7.9]
82-> [PHE A 66] PSI -53.0 -27.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 2.1 0.0 - 2 [ 0.0 .. 2.1]
83-> [LYS A 67] PHI -75.0 -53.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.7 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 6.0 0.0 0.0 - 3 [ 0.0 .. 6.0]
84-> [LYS A 67] PSI -51.0 -27.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 1.1 0.0 3.3 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 3.3]
86-> [ALA A 68] PSI -51.0 -23.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.0 0.0 0.0 7.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.1 0.0 - 3 [ 0.0 .. 7.9]
87-> [SER A 69] PHI -73.0 -53.0 0.0 0.0 0.0 3.6 0.0 3.5 0.0 0.0 0.0 0.7 0.0 0.0 0.0 0.0 12.9 0.0 0.0 0.0 0.0 3.5 - 5 [ 0.0 .. 12.9]
88-> [SER A 69] PSI -61.0 -27.0 1.4 0.0 4.3 5.4 0.9 3.9 4.5 3.5 1.6 5.4 6.4 0.0 4.1 0.0 26.7 0.0 0.0 0.0 3.3 6.8 - 14 [ 0.0 .. 26.7]
90-> [LYS A 70] PSI -65.0 -45.0 1.3 0.0 6.2 9.9 0.0 24.4 1.8 0.0 15.2 14.6 0.0 0.0 12.8 0.0 2.0 12.6 0.1 6.8 0.0 5.9 - 13 [ 0.0 .. 24.4]
93-> [ILE A 81] PHI -77.0 -47.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.0 0.0 18.6 0.0 0.0 - 2 [ 0.0 .. 18.6]
98-> [TRP A 83] PSI -55.0 -33.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 11.4 0.0 0.0 - 1 [ 0.0 .. 11.4]
99-> [LYS A 84] PHI -81.0 -51.0 0.0 0.0 0.0 0.0 2.4 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 2.5 0.0 0.0 0.0 0.0 0.0 1.0 - 4 [ 0.0 .. 2.5]
101-> [SER A 85] PHI -87.0 -51.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 - 1 [ 0.0 .. 1.1]
102-> [SER A 85] PSI -53.0 -23.0 4.3 0.0 0.0 0.0 0.0 5.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.3 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 5.3]
103-> [ALA A 86] PHI -75.0 -49.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.1 0.0 0.0 0.0 3.6 0.0 0.0 11.8 0.0 0.0 11.9 - 4 [ 0.0 .. 11.9]
104-> [ALA A 86] PSI -53.0 -31.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.3 0.0 10.3 0.0 0.0 0.0 2.0 0.0 0.0 0.5 0.0 0.0 11.5 - 5 [ 0.0 .. 11.5]
106-> [TRP A 87] PSI -57.0 -25.0 0.0 0.0 0.0 0.0 0.0 2.5 0.0 1.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.5]
107-> [THR A 88] PHI -73.0 -51.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.9 0.0 0.0 5.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5 3.3 - 4 [ 0.0 .. 5.5]
108-> [THR A 88] PSI -55.0 -33.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 29.2 - 1 [ 0.0 .. 29.2]
109-> [LEU A 89] PHI -75.0 -49.0 0.0 0.0 0.0 3.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.3 0.0 0.0 4.6 0.0 0.0 - 4 [ 0.0 .. 4.6]
110-> [LEU A 89] PSI -53.0 -25.0 0.0 0.0 0.0 3.1 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.0 0.0 6.4 4.4 6.1 0.6 0.0 0.0 5.3 - 7 [ 0.0 .. 6.4]
111-> [HIS A 90] PHI -85.0 -47.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15.9 0.0 0.0 0.0 0.0 9.0 0.0 10.9 0.0 0.0 0.0 39.9 - 4 [ 0.0 .. 39.9]
113-> [VAL A 91] PHI -73.0 -51.0 0.0 0.0 0.0 15.7 7.6 0.0 0.0 14.3 5.6 0.0 0.0 0.0 0.0 2.3 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 15.7]
114-> [VAL A 91] PSI -57.0 -29.0 0.0 0.0 0.0 23.8 0.0 0.0 0.0 0.8 0.0 0.0 4.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 23.8]
115-> [GLU A 101] PHI -73.0 -51.0 1.1 0.0 0.0 0.0 0.5 1.0 0.6 0.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.6 - 6 [ 0.0 .. 1.1]
116-> [GLU A 101] PSI -45.0 -23.0 0.0 15.1 5.1 0.0 4.6 1.0 0.0 1.6 5.0 1.1 4.9 0.0 4.7 5.0 4.6 5.0 1.0 0.0 0.2 4.9 - 15 [ 0.0 .. 15.1]
118-> [LYS A 102] PSI -47.0 -25.0 0.0 0.0 0.0 0.0 2.7 0.0 0.0 0.0 0.0 4.2 0.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 4.2]
122-> [VAL A 104] PSI -55.0 -33.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.1 0.0 2.9 0.0 4.1 2.2 11.9 0.0 4.7 - 6 [ 0.0 .. 11.9]
123-> [LYS A 105] PHI -71.0 -49.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.7 0.0 0.5 9.2 0.0 0.0 0.0 0.6 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 9.2]
124-> [LYS A 105] PSI -55.0 -29.0 0.0 0.8 0.0 0.0 0.0 0.0 0.0 18.9 4.1 0.0 23.0 0.0 5.2 0.0 6.0 0.0 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 23.0]
125-> [LYS A 106] PHI -75.0 -53.0 0.0 3.7 0.0 0.0 0.0 0.0 0.0 0.0 10.8 0.0 13.4 0.0 10.0 0.0 10.5 0.0 0.0 6.1 0.0 0.0 - 6 [ 0.0 .. 13.4]
128-> [LEU A 107] PSI -57.0 -35.0 0.0 9.2 2.4 0.0 1.6 0.0 0.0 6.1 16.3 8.5 8.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.8 0.0 - 8 [ 0.0 .. 16.3]
129-> [LYS A 108] PHI -79.0 -53.0 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.2]
130-> [LYS A 108] PSI -57.0 -23.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 2.4 0.0 0.0 0.5 0.0 0.0 - 3 [ 0.0 .. 2.4]
131-> [GLU A 109] PHI -81.0 -47.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.0 0.0 0.0 3.9 0.0 0.0 10.5 0.0 0.0 - 3 [ 0.0 .. 10.5]
132-> [GLU A 109] PSI -55.0 -25.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15.3 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 15.3]
134-> [ASP A 110] PSI -55.0 -21.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.5 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.5]
135-> [VAL A 111] PHI -73.0 -51.0 2.3 0.7 0.0 0.8 0.0 0.0 1.1 1.9 0.0 0.0 0.0 2.2 0.0 0.4 0.0 0.0 1.7 0.8 0.0 0.0 - 9 [ 0.0 .. 2.3]
136-> [VAL A 111] PSI -55.0 -31.0 0.6 0.0 5.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.6 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 5.6]
137-> [ARG A 112] PHI -77.0 -49.0 0.0 0.0 0.0 0.0 1.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.7 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 2.7]
138-> [ARG A 112] PSI -57.0 -35.0 0.0 0.0 3.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.7]
145-> [ILE A 116] PHI -75.0 -51.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.1 0.0 0.0 0.6 0.0 0.0 - 2 [ 0.0 .. 3.1]
146-> [ILE A 116] PSI -57.0 -27.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.5 0.0 0.0 5.9 0.0 0.0 - 2 [ 0.0 .. 7.5]
152-> [VAL A 119] PSI -55.0 -33.0 0.0 0.0 0.0 0.0 0.0 3.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.5]
155-> [SER A 121] PHI -81.0 -55.0 0.0 0.0 0.0 3.2 0.0 0.0 0.0 0.0 4.0 0.0 0.0 0.0 0.0 4.0 0.0 0.0 4.7 0.0 0.0 0.0 - 4 [ 0.0 .. 4.7]
156-> [SER A 121] PSI -53.0 -25.0 0.0 0.0 0.0 0.0 0.0 0.0 10.3 0.0 0.0 0.0 4.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.6 - 4 [ 0.0 .. 10.3]
157-> [THR A 5] PHI 45.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.6]
180-> [ASN A 46] PHI 175.0 65.0 0.0 0.0 1.8 0.0 0.0 0.0 0.0 0.0 4.9 0.0 4.6 0.0 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 4.9]
191-> [VAL A 54] PSI -75.0 15.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.0]
197-> [LYS A 57] PHI -105.0 -45.0 10.3 0.0 0.0 2.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 3.9 13.9 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 13.9]
199-> [LYS A 57] PSI -15.0 -165.0 0.0 0.0 0.0 13.3 4.9 0.0 0.0 0.0 0.0 0.0 5.1 0.0 0.0 9.0 0.0 0.0 0.0 0.0 20.0 0.0 - 5 [ 0.0 .. 20.0]
201-> [GLY A 58] PSI -115.0 115.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.1]
203-> [ARG A 59] PSI 135.0 -165.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.5]
206-> [TRP A 60] PSI 5.0 -165.0 0.0 0.0 46.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 46.6]
215-> [LEU A 71] PSI 135.0 -35.0 10.1 7.7 8.5 0.0 5.2 0.0 0.0 2.9 22.0 0.0 8.3 8.8 9.3 12.9 0.0 16.8 0.1 2.7 8.3 0.0 - 14 [ 0.0 .. 22.0]
216-> [LEU A 71] PSI -85.0 -155.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 10.0]
239-> [GLY A 93] PSI -145.0 145.0 0.0 0.0 0.0 0.0 27.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 27.3]
241-> [PHE A 94] PHI 175.0 75.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.6 - 3 [ 0.0 .. 1.6]
242-> [PHE A 94] PSI 75.0 45.0 0.0 0.0 0.0 0.0 0.0 8.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 8.2]
243-> [PHE A 94] PSI -85.0 95.0 0.0 20.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 20.0]
250-> [LEU A 97] PHI -125.0 -55.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 15.7 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 15.7]
251-> [LEU A 97] PSI 65.0 105.0 5.0 0.0 11.7 0.0 14.0 0.0 0.0 6.9 44.5 0.0 12.0 0.0 0.0 9.6 0.0 8.4 0.0 4.7 40.2 9.4 - 11 [ 0.0 .. 44.5]
254-> [SER A 98] PSI -85.0 105.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 25.0]
260-> [ASN A 100] PSI 125.0 -5.0 4.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 4.5]
267-> [GLU A 123] PSI -35.0 105.0 0.0 6.1 4.7 29.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 3 [ 0.0 .. 29.9]
268-> [HIS A 124] PHI 45.0 -45.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 5.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 5.2]
269-> [HIS A 124] PHI 175.0 75.0 0.0 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.8]
---- ACOSummary Of Residual ACO Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
1 - 10. degrees : 8 10 19 13 17 9 7 13 13 10 16 7 9 16 18 8 8 10 16 13 12.00
> 10. degrees : 2 3 2 5 2 1 1 3 6 2 4 0 1 1 6 4 1 4 3 4 2.75
Total : 13 18 23 21 21 14 10 19 19 17 24 9 12 26 26 14 14 19 21 21 18.05
Minimum Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00
Maximum Violation : 10.3 20.0 46.6 29.9 27.3 24.4 10.3 18.9 44.5 14.6 23.0 8.8 12.8 12.9 26.7 16.8 11.8 18.6 40.2 39.9 46.64
Max PHI Viol : 10.3 15.2 5.1 15.7 7.6 3.5 8.1 14.3 15.9 9.1 13.4 4.9 10.0 9.0 13.9 15.7 11.8 18.6 16.7 39.9 39.89
Max PSI Viol : 10.1 20.0 46.6 29.9 27.3 24.4 10.3 18.9 44.5 14.6 23.0 8.8 12.8 12.9 26.7 16.8 10.0 11.9 40.2 29.2 46.64
Average Violation : 0.2 0.4 0.5 0.6 0.4 0.2 0.1 0.4 0.6 0.2 0.6 0.1 0.2 0.3 0.6 0.4 0.2 0.4 0.5 0.5 0.365
Avge PHI Viol : 0.351 0.458 0.358 0.489 0.424 0.249 0.315 0.457 0.618 0.343 0.571 0.278 0.376 0.478 0.648 0.488 0.417 0.608 0.504 0.679 0.471
Avge PSI Viol : 0.466 0.729 0.966 0.993 0.773 0.639 0.420 0.757 0.948 0.626 0.911 0.324 0.599 0.640 0.896 0.697 0.376 0.605 0.870 0.790 0.728
RMS Violation : 1.044 2.028 3.141 3.202 2.118 1.667 0.936 1.916 3.589 1.422 2.437 0.681 1.371 1.469 2.610 1.940 1.073 1.877 3.069 3.314 2.215
RMS PHI Viol : 0.939 1.364 0.669 1.421 0.865 0.390 0.748 1.417 1.854 0.828 1.653 0.504 1.006 1.059 1.938 1.645 1.159 1.987 1.610 3.481 1.490
RMS PSI Viol : 1.154 2.589 4.548 4.441 2.964 2.408 1.113 2.363 4.872 1.887 3.102 0.840 1.696 1.831 3.214 2.231 0.964 1.741 4.156 3.111 2.828
Final --global-- Summary for 20 models, 273 ACOs/model, 5460 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 1994.00
Summ. Sq. Viol. : 26790.61
Max. Viol. : 46.643
Avg. Viol. : 0.36520
RMS Viol. : 2.21511
Std. Dev. Viol. : 2.18480
JPEG image for inter-residue distance constraints per residue plot
S(phi)|S(psi) V/S Residue number
Text output from PDBStat of phi psi order
# CHAIN .GT. SUM.GT.
# RES ID DIH S(phi) S(psi) S(chi1) S(chi2) S(chi3) S(chi4) S(chi5) 0.90 1.6
# -----------------------------------------------------------------------------------
MET A 1 0.343 0.564 0.638 0.190
SER A 2 0.903 0.288 0.298
ILE A 3 0.893 0.966 0.717 0.950 3
SER A 4 0.105 0.852 0.420
THR A 5 0.768 0.986 0.917
SER A 6 0.985 0.985 0.777 6 6
ALA A 7 0.996 0.998 7 7
GLU A 8 0.991 0.994 0.428 0.935 0.794 8 8
VAL A 9 0.997 0.999 1.000 9 9
TYR A 10 0.998 0.998 0.998 0.801 10 10
TYR A 11 0.999 0.999 0.997 0.999 11 11
GLU A 12 0.997 0.997 0.594 1.000 1.000 12 12
GLU A 13 0.999 0.997 1.000 0.919 0.951 13 13
ALA A 14 0.998 0.999 14 14
GLU A 15 0.998 0.997 0.596 0.691 0.815 15 15
GLU A 16 0.997 0.995 0.620 0.932 0.998 16 16
PHE A 17 0.998 0.998 0.998 0.916 17 17
LEU A 18 0.999 0.997 0.664 0.597 18 18
SER A 19 0.998 0.993 0.492 19 19
LYS A 20 0.992 0.989 0.764 1.000 1.000 1.000 20 20
GLY A 21 0.990 0.998 21 21
ASP A 22 0.996 0.997 0.998 0.987 22 22
LEU A 23 0.999 0.999 0.999 0.999 23 23
VAL A 24 0.998 1.000 1.000 24 24
GLN A 25 0.999 0.998 1.000 0.569 0.444 25 25
ALA A 26 0.999 0.999 26 26
CYS A 27 0.999 0.996 0.831 27 27
GLU A 28 0.997 0.997 0.633 0.800 0.957 28 28
LYS A 29 0.994 0.979 0.994 0.855 0.999 0.929 29 29
TYR A 30 0.995 0.984 0.336 0.400 30 30
TYR A 31 0.999 0.998 0.992 0.998 31 31
LYS A 32 0.999 0.998 0.938 0.728 0.805 0.924 32 32
ALA A 33 1.000 0.998 33 33
ALA A 34 1.000 0.998 34 34
GLU A 35 0.993 0.989 0.351 0.997 0.816 35 35
GLU A 36 0.998 0.998 0.941 0.922 0.938 36 36
ALA A 37 0.999 0.999 37 37
ILE A 38 0.999 0.998 0.999 0.465 38 38
LYS A 39 0.998 0.993 0.358 0.996 0.526 0.991 39 39
LEU A 40 0.998 0.999 0.999 0.999 40 40
LEU A 41 0.999 0.997 1.000 1.000 41 41
VAL A 42 0.993 0.999 1.000 42 42
ILE A 43 1.000 0.998 1.000 1.000 43 43
GLU A 44 0.995 0.989 0.707 0.611 0.813 44 44
ASN A 45 0.985 0.913 0.794 0.742 45 45
ASN A 46 0.860 0.985 0.644 0.794 46
LEU A 47 0.998 0.986 0.990 0.845 47 47
LYS A 48 0.997 0.996 0.872 1.000 1.000 1.000 48 48
GLU A 49 0.997 0.993 0.610 1.000 1.000 49 49
ILE A 50 0.990 0.999 0.998 0.681 50 50
THR A 51 0.991 0.985 0.506 51 51
ASN A 52 0.997 0.993 1.000 1.000 52 52
ASN A 53 0.997 0.991 1.000 0.997 53 53
VAL A 54 0.949 0.937 0.423 54 54
LYS A 55 0.985 0.992 0.518 0.999 1.000 1.000 55 55
ASN A 56 0.943 0.988 0.945 0.985 56 56
LYS A 57 0.986 0.451 0.999 0.686 0.998 0.922
GLY A 58 0.395 0.872
ARG A 59 0.959 0.962 0.693 0.611 0.861 0.726 1.000 59 59
TRP A 60 0.991 0.841 0.940 0.692 60
LYS A 61 0.832 0.420 0.552 0.635 0.999 0.999
SER A 62 0.676 0.962 0.340
GLU A 63 0.995 0.994 0.663 0.999 0.971 63 63
ASN A 64 0.997 0.995 1.000 0.990 64 64
LEU A 65 0.994 0.997 0.999 0.998 65 65
PHE A 66 0.999 0.993 0.926 0.928 66 66
LYS A 67 0.996 0.998 1.000 1.000 0.997 0.999 67 67
ALA A 68 0.999 0.992 68 68
SER A 69 0.994 0.994 0.835 69 69
LYS A 70 0.998 0.992 0.712 0.997 0.936 0.934 70 70
LEU A 71 0.985 0.562 0.804 0.717
LEU A 72 0.569 0.958 0.996 0.999
ARG A 73 0.978 0.992 0.342 0.998 0.738 0.993 1.000 73 73
SER A 74 0.999 0.999 1.000 74 74
ASN A 75 0.997 0.998 0.874 0.842 75 75
ASN A 76 0.997 0.989 0.998 0.953 76 76
THR A 77 0.988 0.997 1.000 77 77
GLU A 78 0.988 0.984 0.999 0.923 0.890 78 78
ILE A 79 0.998 0.998 1.000 1.000 79 79
PRO A 80 0.995 0.995 0.952 0.908 80 80
ILE A 81 0.994 0.999 1.000 1.000 81 81
LEU A 82 0.997 0.998 0.999 1.000 82 82
TRP A 83 0.997 0.995 0.935 0.606 83 83
LYS A 84 0.996 0.997 0.768 1.000 1.000 1.000 84 84
SER A 85 0.997 0.995 0.715 85 85
ALA A 86 0.992 0.991 86 86
TRP A 87 0.998 0.989 0.995 0.452 87 87
THR A 88 0.993 0.988 0.925 88 88
LEU A 89 0.994 0.985 0.639 0.638 89 89
HIS A 90 0.955 0.994 0.923 0.653 90 90
VAL A 91 0.990 0.981 0.856 91 91
GLU A 92 0.786 0.828 0.860 0.537 0.893
GLY A 93 0.785 0.432
PHE A 94 0.397 0.672 0.551 0.795
HIS A 95 0.432 0.594 0.483 0.193
GLU A 96 0.520 0.323 0.539 0.796 0.927
LEU A 97 0.953 0.892 0.595 0.524 97
SER A 98 0.617 0.656 0.169
LEU A 99 0.355 0.916 0.937 0.937
ASN A 100 0.930 0.973 0.653 0.916 100 100
GLU A 101 0.996 0.995 0.934 0.999 0.986 101 101
LYS A 102 0.998 0.995 0.667 1.000 1.000 1.000 102 102
GLU A 103 0.998 0.997 0.999 0.426 0.934 103 103
VAL A 104 0.999 0.994 0.917 104 104
LYS A 105 0.997 0.990 0.936 1.000 0.999 1.000 105 105
LYS A 106 0.989 0.996 0.664 0.925 0.876 0.998 106 106
LEU A 107 0.996 0.993 0.605 0.634 107 107
LYS A 108 0.997 0.983 0.660 0.918 0.868 0.617 108 108
GLU A 109 0.992 0.993 0.869 0.590 0.922 109 109
ASP A 110 0.998 0.996 1.000 1.000 110 110
VAL A 111 0.999 0.996 1.000 111 111
ARG A 112 0.998 0.997 0.999 0.880 0.424 0.587 1.000 112 112
LYS A 113 0.998 0.998 0.999 0.998 0.600 0.997 113 113
LEU A 114 0.999 0.999 0.692 0.647 114 114
VAL A 115 1.000 0.999 1.000 115 115
ILE A 116 0.996 0.995 0.837 1.000 116 116
PHE A 117 0.999 0.999 0.998 0.918 117 117
ALA A 118 0.999 0.999 118 118
VAL A 119 0.999 0.996 1.000 119 119
ASN A 120 0.997 0.997 0.942 0.956 120 120
SER A 121 0.995 0.991 0.447 121 121
LEU A 122 0.980 0.956 0.814 0.753 122 122
GLU A 123 0.641 0.707 0.868 0.701 0.893
HIS A 124 0.526 0.625 0.623 0.504
HIS A 125 0.554 0.737 0.473 0.521
HIS A 126 0.130 0.127 0.678 0.820
HIS A 127 0.551 0.596 0.407 0.528
HIS A 128 0.441 0.298 0.391 0.633
HIS A 129 0.934 0.639 0.235
JPEG image of S(phi)~Residue_number Plot
JPEG image of S(psi)~Residue_number Plot
Table of Backbone and Heavy Atom RMSD
Text report of backbone and heavy atom RMSD for ordered regions
>
> Kabsch RMSD data for family `SSR10_R3_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 1 is: 0.589
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 2 is: 0.653
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 3 is: 0.777
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 4 is: 0.749
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 5 is: 0.734
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 6 is: 0.635
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 7 is: 0.679
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 8 is: 0.724
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 9 is: 0.964
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 10 is: 0.698
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 11 is: 0.818
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 12 is: 0.543 (*)
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 13 is: 0.815
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 14 is: 0.765
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 15 is: 0.963
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 16 is: 0.653
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 17 is: 0.652
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 18 is: 0.784
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 19 is: 0.698
> Kabsch RMSD of backbone atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 20 is: 0.667
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[6..45],[47..56],[63..70],[73..91],[100..122], is: 0.728
> Range of RMSD values to reference struct. is 0.543 to 0.964
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 1 is: 0.889 (*)
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 2 is: 1.047
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 3 is: 1.161
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 4 is: 1.057
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 5 is: 1.134
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 6 is: 0.981
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 7 is: 0.976
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 8 is: 1.212
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 9 is: 1.320
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 10 is: 1.096
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 11 is: 1.293
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 12 is: 0.906
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 13 is: 1.173
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 14 is: 1.042
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 15 is: 1.477
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 16 is: 1.119
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 17 is: 0.937
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 18 is: 1.334
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 19 is: 1.107
> Kabsch RMSD of heavy atoms in res. A[6..45],A[47..56],A[63..70],A[73..91],A[100..122],for model 20 is: 1.035
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[6..45],[47..56],[63..70],[73..91],[100..122], is: 1.115
> Range of RMSD values to reference struct. is 0.889 to 1.477
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..129],for model 1 is: 1.698
> Kabsch RMSD of backb atoms in res. *[1..129],for model 2 is: 1.883
> Kabsch RMSD of backb atoms in res. *[1..129],for model 3 is: 1.953
> Kabsch RMSD of backb atoms in res. *[1..129],for model 4 is: 2.108
> Kabsch RMSD of backb atoms in res. *[1..129],for model 5 is: 1.842
> Kabsch RMSD of backb atoms in res. *[1..129],for model 6 is: 1.630
> Kabsch RMSD of backb atoms in res. *[1..129],for model 7 is: 1.984
> Kabsch RMSD of backb atoms in res. *[1..129],for model 8 is: 1.701
> Kabsch RMSD of backb atoms in res. *[1..129],for model 9 is: 1.850
> Kabsch RMSD of backb atoms in res. *[1..129],for model 10 is: 1.841
> Kabsch RMSD of backb atoms in res. *[1..129],for model 11 is: 2.094
> Kabsch RMSD of backb atoms in res. *[1..129],for model 12 is: 1.811
> Kabsch RMSD of backb atoms in res. *[1..129],for model 13 is: 2.072
> Kabsch RMSD of backb atoms in res. *[1..129],for model 14 is: 1.425 (*)
> Kabsch RMSD of backb atoms in res. *[1..129],for model 15 is: 2.422
> Kabsch RMSD of backb atoms in res. *[1..129],for model 16 is: 1.598
> Kabsch RMSD of backb atoms in res. *[1..129],for model 17 is: 1.767
> Kabsch RMSD of backb atoms in res. *[1..129],for model 18 is: 1.724
> Kabsch RMSD of backb atoms in res. *[1..129],for model 19 is: 1.901
> Kabsch RMSD of backb atoms in res. *[1..129],for model 20 is: 1.559
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..129], is: 1.843
> Range of RMSD values to reference struct. is 1.425 to 2.422
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 1 is: 2.189
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 2 is: 2.353
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 3 is: 2.463
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 4 is: 2.701
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 5 is: 2.310
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 6 is: 2.184
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 7 is: 2.455
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 8 is: 2.331
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 9 is: 2.500
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 10 is: 2.371
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 11 is: 2.647
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 12 is: 2.346
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 13 is: 2.629
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 14 is: 1.982 (*)
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 15 is: 3.138
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 16 is: 2.185
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 17 is: 2.315
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 18 is: 2.406
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 19 is: 2.537
> Kabsch RMSD of heavy atoms in res. *[1..129],for model 20 is: 2.079
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..129], is: 2.406
> Range of RMSD values to reference struct. is 1.982 to 3.138
Summary of heavy atom and backbone RMSDs over the whole protein and ordered residues
RMSD Values
all residues ordered residues selected residues
All backbone atoms 1.8 0.7 0.7
All heavy atoms 2.4 1.1 1.1
Contact Map (constraints list and 3D Coordinates)
JPEG image of Contact Map for Constraints
JPEG image of Contact Map for Coordinates
Output from PROCHECK
Ramachandran Plot for all models
Text summary of Ramachandran Plot
+----------<<< P R O C H E C K S U M M A R Y >>>----------+
| |
| SSR10_R3_em_bcr3_020.rin 0.0 2000 residues |
| |
| Ramachandran plot: 97.5% core 2.5% allow 0.0% gener 0.0% disall |
| |
+| All Ramachandrans: 4 labelled residues (out of2000) |
+| Chi1-chi2 plots: 1 labelled residues (out of1400) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
6 0.74
7 0.66
8 0.70
9 0.81
10 0.73
11 1.17
12 0.87
13 0.82
14 0.90
15 0.90
16 0.92
17 0.38
18 1.00
19 0.55
20 0.86
21 -0.87
22 -0.47
23 -0.05
24 0.53
25 0.64
26 0.73
27 1.29
28 0.93
29 0.14
30 0.41
31 1.14
32 0.83
33 0.87
34 0.92
35 0.70
36 0.92
37 0.88
38 0.89
39 0.91
40 0.98
41 0.95
42 0.86
43 0.56
44 0.58
45 -0.05
47 -1.82
48 0.74
49 0.77
50 -0.56
51 0.52
52 1.07
53 0.51
54 -0.53
55 0.50
56 0.76
63 0.71
64 0.96
65 0.64
66 0.89
67 0.68
68 0.70
69 0.75
70 0.96
73 0.32
74 0.80
75 -0.98
76 -1.52
77 -0.21
78 0.26
79 0.44
80 0.33
81 0.37
82 0.82
83 0.88
84 0.73
85 0.67
86 0.52
87 0.96
88 0.82
89 0.49
90 0.44
91 0.33
100 -0.60
101 0.38
102 0.95
103 0.86
104 0.52
105 0.69
106 0.58
107 0.82
108 0.79
109 0.68
110 1.14
111 0.54
112 0.77
113 1.09
114 1.08
115 1.04
116 0.73
117 1.19
118 0.95
119 0.88
120 1.09
121 0.39
122 -0.14
#Reported_Model_Average 0.584
#Overall_Average_Reported 0.584
Procheck G-factors for all dihedral angles for each residue
JPEG image for residue all dihedral G-factors
Table of Procheck G-factors for all dihedrals for ordered residues
#alldih_gfactor
#Residue\Model average
6 0.76
7 0.66
8 0.64
9 0.74
10 0.27
11 0.93
12 0.94
13 0.96
14 0.90
15 0.80
16 0.93
17 0.19
18 0.75
19 0.50
20 0.88
21 -0.87
22 -0.35
23 0.40
24 0.61
25 0.69
26 0.73
27 0.98
28 0.77
29 0.02
30 -0.30
31 0.83
32 0.88
33 0.87
34 0.92
35 0.70
36 0.72
37 0.88
38 0.65
39 0.87
40 0.92
41 0.90
42 0.79
43 0.72
44 0.50
45 0.39
47 -0.56
48 1.00
49 0.92
50 -0.20
51 0.52
52 1.11
53 0.81
54 -0.15
55 0.73
56 0.93
63 0.82
64 1.05
65 0.73
66 0.63
67 0.97
68 0.70
69 0.62
70 0.93
73 0.35
74 0.83
75 0.01
76 -0.78
77 0.15
78 0.73
79 0.67
80 0.33
81 0.64
82 0.85
83 0.52
84 0.81
85 0.44
86 0.52
87 0.62
88 0.67
89 0.64
90 0.51
91 0.46
100 0.15
101 0.59
102 1.05
103 0.88
104 0.59
105 0.93
106 0.83
107 0.65
108 0.56
109 0.70
110 1.14
111 0.68
112 0.65
113 1.13
114 0.91
115 0.88
116 0.77
117 0.04
118 0.95
119 0.79
120 1.09
121 0.27
122 0.25
#Reported_Model_Average 0.621
#Overall_Average_Reported 0.621
Output from Verify3D
Verify3D Score over a window of $winsize_s residues
JPEG image for Verify3D Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
6 0.47 0.47 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 0.47 -0.38 -0.38 -0.38 -0.38 0.47 0.47 -0.38
7 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
8 0.62 -0.58 0.62 -0.43 -0.43 -0.43 0.62 0.09 0.62 -0.43 0.09 0.62 0.62 0.62 0.62 0.09 0.62 -0.43 -0.43 0.09
9 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62
10 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.86 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50
11 0.86 0.86 0.86 0.50 0.86 0.27 0.27 0.27 0.86 0.86 0.86 0.27 0.86 0.86 0.50 0.86 0.86 0.50 0.86 0.86
12 0.62 0.62 0.62 0.60 0.60 0.60 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
13 -0.43 -0.43 0.62 0.62 0.62 -0.43 -0.43 0.62 0.62 0.62 -0.43 -0.43 0.62 -0.43 -0.43 -0.43 -0.43 -0.43 0.62 0.62
14 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
15 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.09 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62
16 0.62 0.60 0.62 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.62
17 -0.22 -0.22 -0.22 -0.22 -0.22 0.87 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22
18 0.71 0.71 1.30 0.71 0.71 0.71 0.71 1.30 1.30 -0.30 1.30 0.71 1.30 1.30 1.30 0.71 1.30 0.16 1.30 0.71
19 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
20 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
21 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
22 0.51 0.34 0.51 0.51 0.34 0.51 0.51 0.34 0.34 0.34 0.51 0.34 0.51 0.34 0.51 0.51 0.51 0.34 0.51 0.34
23 0.71 0.71 0.16 -0.30 -0.30 -0.30 0.71 -0.30 0.71 -0.30 0.16 0.71 -0.30 0.71 0.71 0.16 0.71 0.71 -0.30 0.71
24 0.30 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 0.30 -0.62 -0.62
25 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
26 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
27 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
28 0.62 0.62 -0.43 -0.43 0.62 0.62 0.62 0.09 0.09 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 0.62 0.62
29 -0.94 0.56 0.56 0.56 0.56 -0.94 -0.94 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 -0.94
30 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27
31 0.50 0.50 0.50 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.50 0.86 0.50 0.86 0.50 0.86 0.86 0.50 0.86 0.50
32 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
33 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
34 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
35 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 0.09 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 0.09 -0.58 -0.58 -0.58 -0.58 0.09
36 -0.43 -0.58 0.09 0.09 -0.58 0.09 0.09 -0.58 0.09 0.09 0.09 0.09 0.09 0.09 -0.43 0.09 0.09 0.09 0.09 0.09
37 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
38 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
39 0.66 -0.94 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.66 0.56 0.56 0.56 0.56 0.56 0.56 0.66 0.66
40 0.71 0.71 0.71 0.71 0.71 0.71 0.16 0.71 0.16 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.16 0.71 0.71 0.71
41 1.30 0.71 1.30 0.71 1.30 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.30
42 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
43 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59
44 0.09 0.09 0.09 0.09 0.62 -0.43 0.09 0.62 0.62 -0.43 -0.43 0.09 0.62 -0.58 0.09 0.09 0.62 0.09 0.62 0.62
45 -0.58 -0.02 -0.02 -0.48 -0.58 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 -0.02 -0.48 -0.58 -0.02 -0.58 -0.02 -0.02
47 0.77 0.77 0.29 0.77 0.77 0.77 0.29 0.29 0.77 0.77 0.77 0.77 0.29 -0.68 0.29 0.77 0.77 0.77 0.77 -0.33
48 0.07 0.07 0.66 0.07 0.07 0.66 0.07 0.66 0.07 0.07 0.66 0.07 0.07 0.07 0.07 0.66 0.07 0.07 0.07 0.07
49 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.60 0.60 0.60 0.60 0.60 0.60 0.62 0.60 0.62 0.62 0.62 0.60
50 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
51 -0.13 -0.13 0.39 0.39 0.39 0.39 -0.13 0.39 0.39 0.39 0.39 0.39 0.39 0.39 -0.13 0.39 0.39 0.39 0.39 -0.13
52 -0.02 -0.02 -0.02 -0.02 0.32 -0.02 0.32 -0.02 0.32 0.32 -0.02 0.32 -0.02 -0.02 -0.02 0.32 -0.02 -0.02 0.32 -0.02
53 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 -0.02 -0.02 -0.02
54 0.74 0.74 0.41 0.41 0.74 0.30 0.41 0.41 0.74 0.74 0.74 0.30 0.41 0.41 0.41 0.41 0.74 0.41 0.41 0.30
55 0.66 0.66 0.07 0.07 0.66 0.07 0.66 0.66 0.66 0.66 0.07 0.07 0.66 0.66 0.66 0.07 0.66 0.66 0.07 0.66
56 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41 0.41 0.51 0.41
63 0.60 0.62 0.60 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.60 0.60 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
64 -0.58 -0.48 -0.48 -0.48 -0.48 -0.48 -0.58 -0.48 -0.58 -0.48 -0.58 -0.48 -0.58 -0.48 -0.48 -0.48 -0.48 -0.48 -0.48 -0.48
65 1.30 0.71 0.71 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 0.71 0.71
66 -0.22 -1.35 -1.35 -1.35 -0.85 0.87 -1.35 -0.85 0.87 -0.22 -1.35 -1.35 0.87 0.87 -1.35 0.87 -0.22 1.28 -1.35 -0.85
67 0.66 0.66 0.66 0.66 0.66 0.56 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66 0.66 0.66 0.66 0.66
68 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
69 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
70 0.66 0.66 0.66 0.66 0.07 -0.50 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66
73 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24
74 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
75 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
76 0.51 0.51 -0.26 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 -0.26 0.51
77 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
78 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
79 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
80 -0.97 -0.41 -1.11 -0.41 -0.41 -0.41 -1.11 -0.97 -0.41 -1.11 -0.41 -0.41 -1.11 -0.41 -1.11 -0.41 -1.11 -0.97 -0.41 -0.25
81 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59
82 0.71 0.71 1.30 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71
83 1.11 1.01 1.01 1.01 1.11 1.11 1.11 1.11 1.11 1.11 1.01 1.11 1.01 1.01 1.11 1.11 1.11 1.11 1.11 1.11
84 0.66 0.07 0.07 0.07 0.07 0.66 0.07 0.66 0.66 0.66 0.07 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.07 0.07
85 -0.38 0.47 0.47 0.47 0.47 -0.38 -0.38 -0.38 0.47 -0.38 -0.38 0.47 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38
86 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
87 1.01 0.86 0.86 -1.09 1.01 1.01 0.86 1.01 1.01 1.01 0.86 0.86 1.01 1.01 0.86 1.01 1.01 0.86 1.01 1.01
88 -0.13 0.39 -0.13 0.39 -0.13 -0.13 0.39 -0.13 0.39 -0.13 0.39 0.39 0.39 0.39 0.39 0.39 0.39 -0.13 -0.13 -0.13
89 0.71 1.30 1.30 0.71 1.30 -0.30 0.71 1.30 1.30 1.30 1.30 0.71 1.30 1.30 -0.30 0.71 0.71 0.71 1.30 1.30
90 0.82 0.61 0.61 0.61 0.61 0.82 0.82 0.17 0.17 0.17 0.61 0.82 0.17 0.61 0.61 0.82 0.17 0.61 -0.91 0.61
91 -0.62 -0.62 -0.62 0.30 -0.62 -0.62 -0.62 -0.62 0.30 -0.62 0.30 0.30 -0.62 -0.62 -0.62 0.30 -0.62 0.30 -0.62 -0.62
100 0.51 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
101 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.62
102 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.66 0.07 0.07 0.07 0.07 0.07
103 0.62 0.62 0.62 0.09 -0.43 0.62 0.62 0.62 0.62 -0.43 0.62 -0.43 0.62 0.62 0.62 0.62 -0.43 -0.43 0.62 0.62
104 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
105 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
106 0.07 0.07 0.07 0.66 0.66 0.07 0.66 0.07 0.66 0.66 0.66 0.07 0.66 0.07 0.07 0.66 0.66 0.07 0.07 0.07
107 1.30 0.16 0.16 1.30 0.71 1.30 1.30 0.16 0.16 0.71 0.16 1.30 1.30 1.30 0.71 1.30 1.30 1.30 0.71 1.30
108 0.56 0.56 -0.94 0.56 -0.94 0.56 0.56 -0.94 0.56 -0.94 -0.94 0.56 0.56 0.66 0.56 0.56 0.56 0.56 -0.94 0.56
109 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
110 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 0.29 -0.28 0.29 -0.28 -0.28 -0.28 -0.28 -0.28
111 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
112 1.10 1.10 1.10 1.10 1.10 0.56 1.10 1.10 0.56 1.10 1.10 1.10 1.10 1.10 0.56 1.10 1.10 0.56 1.10 0.56
113 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
114 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
115 0.74 0.74 0.74 0.74 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74 0.30 0.74 0.41 0.41 0.74 0.74 0.74
116 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59
117 0.87 -0.22 0.87 0.87 0.87 -0.22 0.87 0.87 -0.22 0.87 -0.22 0.87 -0.22 0.87 0.87 -0.22 -0.22 -0.22 1.28 0.87
118 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
119 -0.62 0.30 -0.62 0.30 -0.62 0.30 0.30 0.41 -0.62 0.41 0.41 0.30 0.30 0.30 0.30 -0.62 -0.62 0.30 -0.62 0.41
120 -0.58 -0.02 -0.02 -0.02 -0.58 -0.58 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 0.32 0.32 -0.02 0.32 -0.58 -0.02
121 0.47 0.47 0.47 -0.38 0.47 -0.38 0.47 0.47 0.47 -0.38 0.47 -0.38 0.47 -0.38 0.47 -0.38 -0.38 -0.38 0.47 0.47
122 0.71 0.71 0.16 0.71 -0.30 0.71 0.71 0.71 -0.46 1.30 0.71 0.16 0.16 0.71 0.71 0.71 0.71 0.71 0.71 -0.30
#Reported_Model_Average 0.423 0.384 0.381 0.389 0.381 0.371 0.405 0.394 0.443 0.392 0.401 0.419 0.463 0.435 0.400 0.415 0.408 0.410 0.385 0.409
#Overall_Average_Reported 0.405
Output from ProsaII
ProsaII Score over a window of $winsize_s residues
JPEG image for ProsaII Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
6 0.47 0.47 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 0.47 -0.38 -0.38 -0.38 -0.38 0.47 0.47 -0.38
7 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
8 0.62 -0.58 0.62 -0.43 -0.43 -0.43 0.62 0.09 0.62 -0.43 0.09 0.62 0.62 0.62 0.62 0.09 0.62 -0.43 -0.43 0.09
9 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62
10 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.86 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50
11 0.86 0.86 0.86 0.50 0.86 0.27 0.27 0.27 0.86 0.86 0.86 0.27 0.86 0.86 0.50 0.86 0.86 0.50 0.86 0.86
12 0.62 0.62 0.62 0.60 0.60 0.60 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
13 -0.43 -0.43 0.62 0.62 0.62 -0.43 -0.43 0.62 0.62 0.62 -0.43 -0.43 0.62 -0.43 -0.43 -0.43 -0.43 -0.43 0.62 0.62
14 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
15 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.09 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62
16 0.62 0.60 0.62 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.62
17 -0.22 -0.22 -0.22 -0.22 -0.22 0.87 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22 -0.22
18 0.71 0.71 1.30 0.71 0.71 0.71 0.71 1.30 1.30 -0.30 1.30 0.71 1.30 1.30 1.30 0.71 1.30 0.16 1.30 0.71
19 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16 0.16
20 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
21 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
22 0.51 0.34 0.51 0.51 0.34 0.51 0.51 0.34 0.34 0.34 0.51 0.34 0.51 0.34 0.51 0.51 0.51 0.34 0.51 0.34
23 0.71 0.71 0.16 -0.30 -0.30 -0.30 0.71 -0.30 0.71 -0.30 0.16 0.71 -0.30 0.71 0.71 0.16 0.71 0.71 -0.30 0.71
24 0.30 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 -0.62 0.30 -0.62 -0.62
25 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
26 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
27 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
28 0.62 0.62 -0.43 -0.43 0.62 0.62 0.62 0.09 0.09 0.62 0.62 0.62 0.62 0.62 0.62 -0.43 0.62 0.62 0.62 0.62
29 -0.94 0.56 0.56 0.56 0.56 -0.94 -0.94 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 -0.94
30 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27 0.27
31 0.50 0.50 0.50 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.50 0.86 0.50 0.86 0.50 0.86 0.86 0.50 0.86 0.50
32 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
33 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
34 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
35 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 0.09 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 -0.58 0.09 -0.58 -0.58 -0.58 -0.58 0.09
36 -0.43 -0.58 0.09 0.09 -0.58 0.09 0.09 -0.58 0.09 0.09 0.09 0.09 0.09 0.09 -0.43 0.09 0.09 0.09 0.09 0.09
37 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
38 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
39 0.66 -0.94 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.66 0.56 0.56 0.56 0.56 0.56 0.56 0.66 0.66
40 0.71 0.71 0.71 0.71 0.71 0.71 0.16 0.71 0.16 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.16 0.71 0.71 0.71
41 1.30 0.71 1.30 0.71 1.30 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 1.30
42 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
43 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59
44 0.09 0.09 0.09 0.09 0.62 -0.43 0.09 0.62 0.62 -0.43 -0.43 0.09 0.62 -0.58 0.09 0.09 0.62 0.09 0.62 0.62
45 -0.58 -0.02 -0.02 -0.48 -0.58 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 -0.02 -0.48 -0.58 -0.02 -0.58 -0.02 -0.02
47 0.77 0.77 0.29 0.77 0.77 0.77 0.29 0.29 0.77 0.77 0.77 0.77 0.29 -0.68 0.29 0.77 0.77 0.77 0.77 -0.33
48 0.07 0.07 0.66 0.07 0.07 0.66 0.07 0.66 0.07 0.07 0.66 0.07 0.07 0.07 0.07 0.66 0.07 0.07 0.07 0.07
49 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.62 0.60 0.60 0.60 0.60 0.60 0.60 0.62 0.60 0.62 0.62 0.62 0.60
50 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
51 -0.13 -0.13 0.39 0.39 0.39 0.39 -0.13 0.39 0.39 0.39 0.39 0.39 0.39 0.39 -0.13 0.39 0.39 0.39 0.39 -0.13
52 -0.02 -0.02 -0.02 -0.02 0.32 -0.02 0.32 -0.02 0.32 0.32 -0.02 0.32 -0.02 -0.02 -0.02 0.32 -0.02 -0.02 0.32 -0.02
53 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 -0.02 -0.02 -0.02
54 0.74 0.74 0.41 0.41 0.74 0.30 0.41 0.41 0.74 0.74 0.74 0.30 0.41 0.41 0.41 0.41 0.74 0.41 0.41 0.30
55 0.66 0.66 0.07 0.07 0.66 0.07 0.66 0.66 0.66 0.66 0.07 0.07 0.66 0.66 0.66 0.07 0.66 0.66 0.07 0.66
56 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.41 0.41 0.41 0.51 0.41
63 0.60 0.62 0.60 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.60 0.60 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
64 -0.58 -0.48 -0.48 -0.48 -0.48 -0.48 -0.58 -0.48 -0.58 -0.48 -0.58 -0.48 -0.58 -0.48 -0.48 -0.48 -0.48 -0.48 -0.48 -0.48
65 1.30 0.71 0.71 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 0.71 0.71
66 -0.22 -1.35 -1.35 -1.35 -0.85 0.87 -1.35 -0.85 0.87 -0.22 -1.35 -1.35 0.87 0.87 -1.35 0.87 -0.22 1.28 -1.35 -0.85
67 0.66 0.66 0.66 0.66 0.66 0.56 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.56 0.66 0.66 0.66 0.66 0.66
68 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
69 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47 0.47
70 0.66 0.66 0.66 0.66 0.07 -0.50 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.07 0.66 0.66 0.66
73 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 0.24 0.24 -0.41 0.24 0.24 0.24 0.24
74 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
75 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51
76 0.51 0.51 -0.26 0.51 -0.26 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 -0.26 0.51 0.51 -0.26 0.51
77 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
78 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
79 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11 1.11
80 -0.97 -0.41 -1.11 -0.41 -0.41 -0.41 -1.11 -0.97 -0.41 -1.11 -0.41 -0.41 -1.11 -0.41 -1.11 -0.41 -1.11 -0.97 -0.41 -0.25
81 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59
82 0.71 0.71 1.30 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71 0.71
83 1.11 1.01 1.01 1.01 1.11 1.11 1.11 1.11 1.11 1.11 1.01 1.11 1.01 1.01 1.11 1.11 1.11 1.11 1.11 1.11
84 0.66 0.07 0.07 0.07 0.07 0.66 0.07 0.66 0.66 0.66 0.07 0.66 0.66 0.07 0.66 0.66 0.66 0.66 0.07 0.07
85 -0.38 0.47 0.47 0.47 0.47 -0.38 -0.38 -0.38 0.47 -0.38 -0.38 0.47 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38 -0.38
86 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
87 1.01 0.86 0.86 -1.09 1.01 1.01 0.86 1.01 1.01 1.01 0.86 0.86 1.01 1.01 0.86 1.01 1.01 0.86 1.01 1.01
88 -0.13 0.39 -0.13 0.39 -0.13 -0.13 0.39 -0.13 0.39 -0.13 0.39 0.39 0.39 0.39 0.39 0.39 0.39 -0.13 -0.13 -0.13
89 0.71 1.30 1.30 0.71 1.30 -0.30 0.71 1.30 1.30 1.30 1.30 0.71 1.30 1.30 -0.30 0.71 0.71 0.71 1.30 1.30
90 0.82 0.61 0.61 0.61 0.61 0.82 0.82 0.17 0.17 0.17 0.61 0.82 0.17 0.61 0.61 0.82 0.17 0.61 -0.91 0.61
91 -0.62 -0.62 -0.62 0.30 -0.62 -0.62 -0.62 -0.62 0.30 -0.62 0.30 0.30 -0.62 -0.62 -0.62 0.30 -0.62 0.30 -0.62 -0.62
100 0.51 0.41 0.41 0.41 0.41 0.41 0.51 0.41 0.51 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
101 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.60 0.62 0.62
102 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.07 0.66 0.07 0.07 0.07 0.07 0.07
103 0.62 0.62 0.62 0.09 -0.43 0.62 0.62 0.62 0.62 -0.43 0.62 -0.43 0.62 0.62 0.62 0.62 -0.43 -0.43 0.62 0.62
104 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
105 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
106 0.07 0.07 0.07 0.66 0.66 0.07 0.66 0.07 0.66 0.66 0.66 0.07 0.66 0.07 0.07 0.66 0.66 0.07 0.07 0.07
107 1.30 0.16 0.16 1.30 0.71 1.30 1.30 0.16 0.16 0.71 0.16 1.30 1.30 1.30 0.71 1.30 1.30 1.30 0.71 1.30
108 0.56 0.56 -0.94 0.56 -0.94 0.56 0.56 -0.94 0.56 -0.94 -0.94 0.56 0.56 0.66 0.56 0.56 0.56 0.56 -0.94 0.56
109 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62
110 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 -0.28 0.29 -0.28 0.29 -0.28 -0.28 -0.28 -0.28 -0.28
111 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74 0.74
112 1.10 1.10 1.10 1.10 1.10 0.56 1.10 1.10 0.56 1.10 1.10 1.10 1.10 1.10 0.56 1.10 1.10 0.56 1.10 0.56
113 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66 0.66
114 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30
115 0.74 0.74 0.74 0.74 0.74 0.74 0.41 0.74 0.74 0.74 0.74 0.74 0.74 0.30 0.74 0.41 0.41 0.74 0.74 0.74
116 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59 -0.59
117 0.87 -0.22 0.87 0.87 0.87 -0.22 0.87 0.87 -0.22 0.87 -0.22 0.87 -0.22 0.87 0.87 -0.22 -0.22 -0.22 1.28 0.87
118 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76 0.76
119 -0.62 0.30 -0.62 0.30 -0.62 0.30 0.30 0.41 -0.62 0.41 0.41 0.30 0.30 0.30 0.30 -0.62 -0.62 0.30 -0.62 0.41
120 -0.58 -0.02 -0.02 -0.02 -0.58 -0.58 -0.02 -0.02 -0.02 -0.02 -0.02 -0.58 -0.02 -0.02 0.32 0.32 -0.02 0.32 -0.58 -0.02
121 0.47 0.47 0.47 -0.38 0.47 -0.38 0.47 0.47 0.47 -0.38 0.47 -0.38 0.47 -0.38 0.47 -0.38 -0.38 -0.38 0.47 0.47
122 0.71 0.71 0.16 0.71 -0.30 0.71 0.71 0.71 -0.46 1.30 0.71 0.16 0.16 0.71 0.71 0.71 0.71 0.71 0.71 -0.30
#Reported_Model_Average 0.423 0.384 0.381 0.389 0.381 0.371 0.405 0.394 0.443 0.392 0.401 0.419 0.463 0.435 0.400 0.415 0.408 0.410 0.385 0.409
#Overall_Average_Reported 0.405
Output from MolProbity
VdW violations from MAGE
JPEG image for MAGE VdW violation
Table of MAGE VdW violations for ordered residues across all models
#mage_clash
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
6.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
7.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
8.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
9.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
10.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
11.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
12.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
13.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
14.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
15.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
16.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
17.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
18.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2
19.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
20.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
21.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
22.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
23.000 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0
24.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
25.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
26.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
27.000 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0
28.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
29.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
30.000 0 4 0 0 0 0 0 0 1 3 0 1 0 0 1 1 0 1 0 0
31.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0
32.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
33.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
34.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
35.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
36.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
37.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
38.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
39.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
40.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
41.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
42.000 1 1 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 1 1 1
43.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
44.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
45.000 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0
47.000 1 1 1 1 1 0 1 1 1 1 2 1 1 1 1 1 1 1 1 1
48.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
49.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
50.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
51.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0
52.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
53.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0
54.000 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0
55.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
56.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
63.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0
64.000 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0
65.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
66.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
67.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
68.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
69.000 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0
70.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
73.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
74.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
75.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
76.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2
77.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1
78.000 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
79.000 1 1 1 1 1 1 1 2 1 0 0 1 2 2 1 2 1 1 1 2
80.000 1 1 1 1 1 1 1 2 1 0 0 1 2 2 1 2 1 1 1 1
81.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
82.000 0 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 0
83.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
84.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
85.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
86.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
87.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
88.000 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0
89.000 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 1 0 0
90.000 0 0 0 0 0 1 0 0 1 0 0 0 4 0 0 0 0 0 0 0
91.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
100.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
101.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
102.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
103.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
104.000 0 0 0 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0
105.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
106.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
107.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
108.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
109.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
110.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0
111.000 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 1 0 1 0 0
112.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
113.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
114.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
115.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0
116.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
117.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
118.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
119.000 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
120.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
121.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
122.000 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 1 0 1
#Reported_Model_Average 0.040 0.100 0.070 0.080 0.040 0.070 0.070 0.100 0.100 0.060 0.070 0.080 0.100 0.120 0.080 0.120 0.090 0.140 0.040 0.110
#Overall_Average_Reported 0.084
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.490: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.454: 0
#sum2 ::0.94 clashscore : 0.94 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236936 potential dots:14810.0 A^2:2 bumps:2 bumps B<40:963.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 30 TYR CD1 :A 30 TYR C : -0.556: 0
: 2123:A 30 TYR HD1 :A 30 TYR C : -0.403: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.496: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.478: 0
: 2123:A 18 LEU 2HD1 :A 15 GLU HA : -0.404: 0
#sum2 ::2.36 clashscore : 2.36 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236862 potential dots:14800.0 A^2:5 bumps:5 bumps B<40:907.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 97 LEU 2HB :A 93 GLY 1HA : -0.455: 0
: 2123:A 60 TRP O :A 61 LYS 1HB : -0.438: 0
: 2123:A 35 GLU 1HG :A 65 LEU 3HD1 : -0.422: 0
: 2123:A 119 VAL 3HG1 :A 3 ILE 1HD1 : -0.421: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.412: 0
: 2123:A 79 ILE HB :A 80 PRO CD : -0.406: 0
#sum2 ::2.83 clashscore : 2.83 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:237334 potential dots:14830.0 A^2:6 bumps:6 bumps B<40:923 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 3 ILE C :A 3 ILE 2HD1 : -0.569: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.437: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.435: 0
: 2123:A 128 HIS 1HB :A 127 HIS O : -0.414: 0
: 2123:A 27 CYS SG :A 104 VAL 2HG2 : -0.408: 0
: 2123:A 78 GLU O :A 82 LEU HG : -0.402: 0
#sum2 ::2.83 clashscore : 2.83 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236987 potential dots:14810.0 A^2:6 bumps:6 bumps B<40:913.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.520: 0
: 2123:A 94 PHE 1HB :A 93 GLY O : -0.450: 0
: 2123:A 80 PRO CD :A 79 ILE HB : -0.435: 0
: 2123:A 96 GLU 1HB :A 95 HIS O : -0.425: 0
#sum2 ::1.88 clashscore : 1.88 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236907 potential dots:14810.0 A^2:4 bumps:4 bumps B<40:935 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 97 LEU 1HD1 :A 90 HIS HA : -0.489: 0
: 2123:A 97 LEU N :A 97 LEU 2HD1 : -0.468: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.488: 0
: 2123:A 27 CYS SG :A 104 VAL 2HG2 : -0.436: 0
: 2123:A 83 TRP CD1 :A 66 PHE HA : -0.422: 0
: 2123:A 95 HIS 1HB :A 94 PHE O : -0.418: 0
#sum2 ::2.83 clashscore : 2.83 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236833 potential dots:14800.0 A^2:6 bumps:6 bumps B<40:946.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.483: 0
: 2123:A 72 LEU 1HB :A 69 SER HA : -0.434: 0
: 2123:A 23 LEU 2HB :A 104 VAL 1HG2 : -0.426: 0
: 2123:A 60 TRP N :A 60 TRP CD1 : -0.404: 0
: 2123:A 79 ILE HB :A 80 PRO CD : -0.400: 0
#sum2 ::2.36 clashscore : 2.36 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236771 potential dots:14800.0 A^2:5 bumps:5 bumps B<40:974.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.458: 0
: 2123:A 54 VAL 2HG2 :A 51 THR HA : -0.452: 0
: 2123:A 58 GLY O :A 54 VAL HA : -0.400: 0
: 2123:A 127 HIS 2HB :A 126 HIS O : -0.439: 0
: 2123:A 80 PRO CD :A 79 ILE HB : -0.430: 0
: 2123:A 80 PRO 2HD :A 79 ILE HB : -0.404: 0
: 2123:A 93 GLY 2HA :A 89 LEU HA : -0.425: 0
: 2123:A 93 GLY 1HA :A 97 LEU 1HB : -0.413: 0
#sum2 ::3.77 clashscore : 3.77 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236816 potential dots:14800.0 A^2:8 bumps:8 bumps B<40:942.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.614: 0
: 2123:A 45 ASN O :A 46 ASN 1HB : -0.573: 0
: 2123:A 128 HIS 1HB :A 127 HIS O : -0.461: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.447: 0
: 2123:A 90 HIS 1HB :A 31 TYR 1HB : -0.441: 0
: 2123:A 111 VAL 1HG2 :A 30 TYR 2HB : -0.437: 0
: 2123:A 60 TRP N :A 60 TRP CD1 : -0.421: 0
: 2123:A 92 GLU 1HB :A 88 THR HA : -0.409: 0
#sum2 ::3.77 clashscore : 3.77 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236796 potential dots:14800.0 A^2:8 bumps:8 bumps B<40:930.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 30 TYR CD1 :A 30 TYR C : -0.456: 0
: 2123:A 30 TYR CE2 :A 27 CYS HA : -0.424: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.413: 0
#sum2 ::1.41 clashscore : 1.41 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236888 potential dots:14810.0 A^2:3 bumps:3 bumps B<40:906.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 45 ASN O :A 46 ASN 1HB : -0.560: 0
: 2123:A 42 VAL 3HG1 :A 47 LEU CB : -0.471: 0
: 2123:A 42 VAL 3HG1 :A 47 LEU 1HB : -0.411: 0
: 2123:A 23 LEU 2HB :A 104 VAL 1HG2 : -0.406: 0
: 2123:A 95 HIS 2HB :A 94 PHE O : -0.405: 0
#sum2 ::2.36 clashscore : 2.36 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236750 potential dots:14800.0 A^2:5 bumps:5 bumps B<40:932.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.506: 0
: 2123:A 111 VAL 1HG2 :A 30 TYR 2HB : -0.409: 0
: 2123:A 80 PRO 2HD :A 79 ILE HB : -0.400: 0
: 2123:A 64 ASN 1HD2 :A 53 ASN 2HB : -0.400: 0
#sum2 ::1.88 clashscore : 1.88 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:237051 potential dots:14820.0 A^2:4 bumps:4 bumps B<40:984.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.651: 0
: 2123:A 90 HIS O :A 90 HIS HD2 : -0.497: 0
: 2123:A 90 HIS CD2 :A 90 HIS C : -0.412: 0
: 2123:A 80 PRO CD :A 79 ILE HB : -0.438: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.414: 0
: 2123:A 96 GLU 1HB :A 95 HIS O : -0.427: 0
#sum2 ::2.83 clashscore : 2.83 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236900 potential dots:14810.0 A^2:6 bumps:6 bumps B<40:995.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 61 LYS O :A 63 GLU N : -0.515: 0
: 2123:A 94 PHE 2HB :A 93 GLY O : -0.498: 0
: 2123:A 93 GLY 1HA :A 97 LEU 1HB : -0.416: 0
: 2123:A 2 SER HA :A 122 LEU 3HD1 : -0.459: 0
: 2123:A 123 GLU 2HG :A 2 SER 1HB : -0.422: 0
: 2123:A 80 PRO CD :A 79 ILE HB : -0.440: 0
: 2123:A 80 PRO 2HD :A 79 ILE HB : -0.400: 0
: 2123:A 72 LEU 1HB :A 69 SER HA : -0.439: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.423: 0
: 2123:A 98 SER 2HB :A 23 LEU 1HB : -0.412: 0
: 2123:A 82 LEU 2HD2 :A 110 ASP HA : -0.402: 0
#sum2 ::5.18 clashscore : 5.18 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236991 potential dots:14810.0 A^2:11 bumps:11 bumps B<40:961.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 80 PRO 2HD :A 79 ILE HB : -0.591: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.541: 0
: 2123:A 108 LYS HA :A 30 TYR CE1 : -0.487: 0
: 2123:A 125 HIS O :A 126 HIS 1HB : -0.458: 0
: 2123:A 50 ILE 3HD1 :A 68 ALA HA : -0.439: 0
: 2123:A 92 GLU HA :A 96 GLU 1HB : -0.433: 0
#sum2 ::2.83 clashscore : 2.83 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236907 potential dots:14810.0 A^2:6 bumps:6 bumps B<40:906.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 53 ASN 2HB :A 64 ASN 1HD2 : -0.471: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.467: 0
: 2123:A 79 ILE N :A 80 PRO CD : -0.426: 0
: 2123:A 80 PRO 2HD :A 79 ILE HB : -0.409: 0
: 2123:A 115 VAL 2HG2 :A 7 ALA 1HB : -0.413: 0
: 2123:A 111 VAL 1HG2 :A 30 TYR 2HB : -0.411: 0
#sum2 ::2.83 clashscore : 2.83 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236716 potential dots:14790.0 A^2:6 bumps:6 bumps B<40:930.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.477: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.454: 0
: 2123:A 82 LEU 2HD2 :A 110 ASP HA : -0.453: 0
: 2123:A 97 LEU HG :A 89 LEU HG : -0.416: 0
: 2123:A 126 HIS 2HB :A 125 HIS O : -0.412: 0
: 2123:A 122 LEU 1HD2 :A 40 LEU 2HD2 : -0.401: 0
#sum2 ::2.83 clashscore : 2.83 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236963 potential dots:14810.0 A^2:6 bumps:6 bumps B<40:965.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.481: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.458: 0
: 2123:A 107 LEU 2HD2 :A 89 LEU 2HD1 : -0.453: 0
: 2123:A 31 TYR HA :A 86 ALA 1HB : -0.438: 0
: 2123:A 111 VAL 1HG2 :A 30 TYR 2HB : -0.419: 0
: 2123:A 122 LEU 3HD2 :A 44 GLU 2HG : -0.416: 0
: 2123:A 78 GLU O :A 82 LEU HG : -0.415: 0
#sum2 ::3.30 clashscore : 3.30 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236897 potential dots:14810.0 A^2:7 bumps:7 bumps B<40:932.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.518: 0
: 2123:A 125 HIS O :A 126 HIS 1HB : -0.448: 0
: 2123:A 79 ILE HB :A 80 PRO CD : -0.407: 0
#sum2 ::1.41 clashscore : 1.41 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:237050 potential dots:14820.0 A^2:3 bumps:3 bumps B<40:928.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 2123:A 18 LEU O :A 18 LEU 3HD2 : -0.596: 0
: 2123:A 47 LEU 1HB :A 42 VAL 3HG1 : -0.485: 0
: 2123:A 94 PHE 2HB :A 93 GLY O : -0.471: 0
: 2123:A 3 ILE 1HD1 :A 122 LEU 1HB : -0.435: 0
: 2123:A 80 PRO 1HD :A 79 ILE N : -0.431: 0
: 2123:A 76 ASN OD1 :A 77 THR N : -0.405: 0
: 2123:A 76 ASN 2HB :A 79 ILE 2HG1 : -0.400: 0
#sum2 ::3.30 clashscore : 3.30 clashscore B<40
#summary::2123 atoms:2123 atoms B<40:236696 potential dots:14790.0 A^2:7 bumps:7 bumps B<40:951.4 score
Output from PDB validation software
Summary from PDB validation
May. 11, 00:12:08 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
none
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.010 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.6 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-7.8 CYS A 27 1 N - CA - CB 102.7 110.5
-7.8 CYS A 27 2 N - CA - CB 102.7 110.5
-7.7 CYS A 27 3 N - CA - CB 102.8 110.5
-7.6 CYS A 27 4 N - CA - CB 102.9 110.5
-3.7 GLU A 96 4 N - CA - C 107.5 111.2
-8.0 CYS A 27 5 N - CA - CB 102.5 110.5
-7.9 CYS A 27 6 N - CA - CB 102.6 110.5
-3.7 HIS A 126 6 N - CA - C 107.5 111.2
-7.8 CYS A 27 7 N - CA - CB 102.7 110.5
-7.7 CYS A 27 8 N - CA - CB 102.8 110.5
-7.9 CYS A 27 9 N - CA - CB 102.6 110.5
-4.0 GLY A 93 9 N - CA - C 108.5 112.5
-7.6 CYS A 27 10 N - CA - CB 102.9 110.5
-7.8 CYS A 27 11 N - CA - CB 102.7 110.5
-7.8 CYS A 27 12 N - CA - CB 102.7 110.5
-7.9 CYS A 27 13 N - CA - CB 102.6 110.5
-7.9 CYS A 27 14 N - CA - CB 102.6 110.5
-7.7 CYS A 27 15 N - CA - CB 102.8 110.5
-7.8 CYS A 27 16 N - CA - CB 102.7 110.5
-7.7 CYS A 27 17 N - CA - CB 102.8 110.5
-7.6 CYS A 27 18 N - CA - CB 102.9 110.5
-7.7 CYS A 27 19 N - CA - CB 102.8 110.5
-8.0 CYS A 27 20 N - CA - CB 102.5 110.5
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A GLN 25 1HE2
1 A GLN 25 2HE2
1 A ASN 45 1HD2
1 A ASN 45 2HD2
1 A ASN 46 1HD2
1 A ASN 46 2HD2
1 A ASN 52 1HD2
1 A ASN 52 2HD2
1 A ASN 53 1HD2
1 A ASN 53 2HD2
1 A ASN 56 1HD2
1 A ASN 56 2HD2
1 A ASN 64 1HD2
1 A ASN 64 2HD2
1 A ASN 75 1HD2
1 A ASN 75 2HD2
1 A ASN 76 1HD2
1 A ASN 76 2HD2
1 A ASN 100 1HD2
1 A ASN 100 2HD2
1 A ASN 120 1HD2
1 A ASN 120 2HD2
2 A GLN 25 1HE2
2 A GLN 25 2HE2
2 A ASN 45 1HD2
2 A ASN 45 2HD2
2 A ASN 46 1HD2
2 A ASN 46 2HD2
2 A ASN 52 1HD2
2 A ASN 52 2HD2
2 A ASN 53 1HD2
2 A ASN 53 2HD2
2 A ASN 56 1HD2
2 A ASN 56 2HD2
2 A ASN 64 1HD2
2 A ASN 64 2HD2
2 A ASN 75 1HD2
2 A ASN 75 2HD2
2 A ASN 76 1HD2
2 A ASN 76 2HD2
2 A ASN 100 1HD2
2 A ASN 100 2HD2
2 A ASN 120 1HD2
2 A ASN 120 2HD2
3 A GLN 25 1HE2
3 A GLN 25 2HE2
3 A ASN 45 1HD2
3 A ASN 45 2HD2
3 A ASN 46 1HD2
3 A ASN 46 2HD2
3 A ASN 52 1HD2
3 A ASN 52 2HD2
3 A ASN 53 1HD2
3 A ASN 53 2HD2
3 A ASN 56 1HD2
3 A ASN 56 2HD2
3 A ASN 64 1HD2
3 A ASN 64 2HD2
3 A ASN 75 1HD2
3 A ASN 75 2HD2
3 A ASN 76 1HD2
3 A ASN 76 2HD2
3 A ASN 100 1HD2
3 A ASN 100 2HD2
3 A ASN 120 1HD2
3 A ASN 120 2HD2
4 A GLN 25 1HE2
4 A GLN 25 2HE2
4 A ASN 45 1HD2
4 A ASN 45 2HD2
4 A ASN 46 1HD2
4 A ASN 46 2HD2
4 A ASN 52 1HD2
4 A ASN 52 2HD2
4 A ASN 53 1HD2
4 A ASN 53 2HD2
4 A ASN 56 1HD2
4 A ASN 56 2HD2
4 A ASN 64 1HD2
4 A ASN 64 2HD2
4 A ASN 75 1HD2
4 A ASN 75 2HD2
4 A ASN 76 1HD2
4 A ASN 76 2HD2
4 A ASN 100 1HD2
4 A ASN 100 2HD2
4 A ASN 120 1HD2
4 A ASN 120 2HD2
5 A GLN 25 1HE2
5 A GLN 25 2HE2
5 A ASN 45 1HD2
5 A ASN 45 2HD2
5 A ASN 46 1HD2
5 A ASN 46 2HD2
5 A ASN 52 1HD2
5 A ASN 52 2HD2
5 A ASN 53 1HD2
5 A ASN 53 2HD2
5 A ASN 56 1HD2
5 A ASN 56 2HD2
5 A ASN 64 1HD2
5 A ASN 64 2HD2
5 A ASN 75 1HD2
5 A ASN 75 2HD2
5 A ASN 76 1HD2
5 A ASN 76 2HD2
5 A ASN 100 1HD2
5 A ASN 100 2HD2
5 A ASN 120 1HD2
5 A ASN 120 2HD2
6 A GLN 25 1HE2
6 A GLN 25 2HE2
6 A ASN 45 1HD2
6 A ASN 45 2HD2
6 A ASN 46 1HD2
6 A ASN 46 2HD2
6 A ASN 52 1HD2
6 A ASN 52 2HD2
6 A ASN 53 1HD2
6 A ASN 53 2HD2
6 A ASN 56 1HD2
6 A ASN 56 2HD2
6 A ASN 64 1HD2
6 A ASN 64 2HD2
6 A ASN 75 1HD2
6 A ASN 75 2HD2
6 A ASN 76 1HD2
6 A ASN 76 2HD2
6 A ASN 100 1HD2
6 A ASN 100 2HD2
6 A ASN 120 1HD2
6 A ASN 120 2HD2
7 A GLN 25 1HE2
7 A GLN 25 2HE2
7 A ASN 45 1HD2
7 A ASN 45 2HD2
7 A ASN 46 1HD2
7 A ASN 46 2HD2
7 A ASN 52 1HD2
7 A ASN 52 2HD2
7 A ASN 53 1HD2
7 A ASN 53 2HD2
7 A ASN 56 1HD2
7 A ASN 56 2HD2
7 A ASN 64 1HD2
7 A ASN 64 2HD2
7 A ASN 75 1HD2
7 A ASN 75 2HD2
7 A ASN 76 1HD2
7 A ASN 76 2HD2
7 A ASN 100 1HD2
7 A ASN 100 2HD2
7 A ASN 120 1HD2
7 A ASN 120 2HD2
8 A GLN 25 1HE2
8 A GLN 25 2HE2
8 A ASN 45 1HD2
8 A ASN 45 2HD2
8 A ASN 46 1HD2
8 A ASN 46 2HD2
8 A ASN 52 1HD2
8 A ASN 52 2HD2
8 A ASN 53 1HD2
8 A ASN 53 2HD2
8 A ASN 56 1HD2
8 A ASN 56 2HD2
8 A ASN 64 1HD2
8 A ASN 64 2HD2
8 A ASN 75 1HD2
8 A ASN 75 2HD2
8 A ASN 76 1HD2
8 A ASN 76 2HD2
8 A ASN 100 1HD2
8 A ASN 100 2HD2
8 A ASN 120 1HD2
8 A ASN 120 2HD2
9 A GLN 25 1HE2
9 A GLN 25 2HE2
9 A ASN 45 1HD2
9 A ASN 45 2HD2
9 A ASN 46 1HD2
9 A ASN 46 2HD2
9 A ASN 52 1HD2
9 A ASN 52 2HD2
9 A ASN 53 1HD2
9 A ASN 53 2HD2
9 A ASN 56 1HD2
9 A ASN 56 2HD2
9 A ASN 64 1HD2
9 A ASN 64 2HD2
9 A ASN 75 1HD2
9 A ASN 75 2HD2
9 A ASN 76 1HD2
9 A ASN 76 2HD2
9 A ASN 100 1HD2
9 A ASN 100 2HD2
9 A ASN 120 1HD2
9 A ASN 120 2HD2
10 A GLN 25 1HE2
10 A GLN 25 2HE2
10 A ASN 45 1HD2
10 A ASN 45 2HD2
10 A ASN 46 1HD2
10 A ASN 46 2HD2
10 A ASN 52 1HD2
10 A ASN 52 2HD2
10 A ASN 53 1HD2
10 A ASN 53 2HD2
10 A ASN 56 1HD2
10 A ASN 56 2HD2
10 A ASN 64 1HD2
10 A ASN 64 2HD2
10 A ASN 75 1HD2
10 A ASN 75 2HD2
10 A ASN 76 1HD2
10 A ASN 76 2HD2
10 A ASN 100 1HD2
10 A ASN 100 2HD2
10 A ASN 120 1HD2
10 A ASN 120 2HD2
11 A GLN 25 1HE2
11 A GLN 25 2HE2
11 A ASN 45 1HD2
11 A ASN 45 2HD2
11 A ASN 46 1HD2
11 A ASN 46 2HD2
11 A ASN 52 1HD2
11 A ASN 52 2HD2
11 A ASN 53 1HD2
11 A ASN 53 2HD2
11 A ASN 56 1HD2
11 A ASN 56 2HD2
11 A ASN 64 1HD2
11 A ASN 64 2HD2
11 A ASN 75 1HD2
11 A ASN 75 2HD2
11 A ASN 76 1HD2
11 A ASN 76 2HD2
11 A ASN 100 1HD2
11 A ASN 100 2HD2
11 A ASN 120 1HD2
11 A ASN 120 2HD2
12 A GLN 25 1HE2
12 A GLN 25 2HE2
12 A ASN 45 1HD2
12 A ASN 45 2HD2
12 A ASN 46 1HD2
12 A ASN 46 2HD2
12 A ASN 52 1HD2
12 A ASN 52 2HD2
12 A ASN 53 1HD2
12 A ASN 53 2HD2
12 A ASN 56 1HD2
12 A ASN 56 2HD2
12 A ASN 64 1HD2
12 A ASN 64 2HD2
12 A ASN 75 1HD2
12 A ASN 75 2HD2
12 A ASN 76 1HD2
12 A ASN 76 2HD2
12 A ASN 100 1HD2
12 A ASN 100 2HD2
12 A ASN 120 1HD2
12 A ASN 120 2HD2
13 A GLN 25 1HE2
13 A GLN 25 2HE2
13 A ASN 45 1HD2
13 A ASN 45 2HD2
13 A ASN 46 1HD2
13 A ASN 46 2HD2
13 A ASN 52 1HD2
13 A ASN 52 2HD2
13 A ASN 53 1HD2
13 A ASN 53 2HD2
13 A ASN 56 1HD2
13 A ASN 56 2HD2
13 A ASN 64 1HD2
13 A ASN 64 2HD2
13 A ASN 75 1HD2
13 A ASN 75 2HD2
13 A ASN 76 1HD2
13 A ASN 76 2HD2
13 A ASN 100 1HD2
13 A ASN 100 2HD2
13 A ASN 120 1HD2
13 A ASN 120 2HD2
14 A GLN 25 1HE2
14 A GLN 25 2HE2
14 A ASN 45 1HD2
14 A ASN 45 2HD2
14 A ASN 46 1HD2
14 A ASN 46 2HD2
14 A ASN 52 1HD2
14 A ASN 52 2HD2
14 A ASN 53 1HD2
14 A ASN 53 2HD2
14 A ASN 56 1HD2
14 A ASN 56 2HD2
14 A ASN 64 1HD2
14 A ASN 64 2HD2
14 A ASN 75 1HD2
14 A ASN 75 2HD2
14 A ASN 76 1HD2
14 A ASN 76 2HD2
14 A ASN 100 1HD2
14 A ASN 100 2HD2
14 A ASN 120 1HD2
14 A ASN 120 2HD2
15 A GLN 25 1HE2
15 A GLN 25 2HE2
15 A ASN 45 1HD2
15 A ASN 45 2HD2
15 A ASN 46 1HD2
15 A ASN 46 2HD2
15 A ASN 52 1HD2
15 A ASN 52 2HD2
15 A ASN 53 1HD2
15 A ASN 53 2HD2
15 A ASN 56 1HD2
15 A ASN 56 2HD2
15 A ASN 64 1HD2
15 A ASN 64 2HD2
15 A ASN 75 1HD2
15 A ASN 75 2HD2
15 A ASN 76 1HD2
15 A ASN 76 2HD2
15 A ASN 100 1HD2
15 A ASN 100 2HD2
15 A ASN 120 1HD2
15 A ASN 120 2HD2
16 A GLN 25 1HE2
16 A GLN 25 2HE2
16 A ASN 45 1HD2
16 A ASN 45 2HD2
16 A ASN 46 1HD2
16 A ASN 46 2HD2
16 A ASN 52 1HD2
16 A ASN 52 2HD2
16 A ASN 53 1HD2
16 A ASN 53 2HD2
16 A ASN 56 1HD2
16 A ASN 56 2HD2
16 A ASN 64 1HD2
16 A ASN 64 2HD2
16 A ASN 75 1HD2
16 A ASN 75 2HD2
16 A ASN 76 1HD2
16 A ASN 76 2HD2
16 A ASN 100 1HD2
16 A ASN 100 2HD2
16 A ASN 120 1HD2
16 A ASN 120 2HD2
17 A GLN 25 1HE2
17 A GLN 25 2HE2
17 A ASN 45 1HD2
17 A ASN 45 2HD2
17 A ASN 46 1HD2
17 A ASN 46 2HD2
17 A ASN 52 1HD2
17 A ASN 52 2HD2
17 A ASN 53 1HD2
17 A ASN 53 2HD2
17 A ASN 56 1HD2
17 A ASN 56 2HD2
17 A ASN 64 1HD2
17 A ASN 64 2HD2
17 A ASN 75 1HD2
17 A ASN 75 2HD2
17 A ASN 76 1HD2
17 A ASN 76 2HD2
17 A ASN 100 1HD2
17 A ASN 100 2HD2
17 A ASN 120 1HD2
17 A ASN 120 2HD2
18 A GLN 25 1HE2
18 A GLN 25 2HE2
18 A ASN 45 1HD2
18 A ASN 45 2HD2
18 A ASN 46 1HD2
18 A ASN 46 2HD2
18 A ASN 52 1HD2
18 A ASN 52 2HD2
18 A ASN 53 1HD2
18 A ASN 53 2HD2
18 A ASN 56 1HD2
18 A ASN 56 2HD2
18 A ASN 64 1HD2
18 A ASN 64 2HD2
18 A ASN 75 1HD2
18 A ASN 75 2HD2
18 A ASN 76 1HD2
18 A ASN 76 2HD2
18 A ASN 100 1HD2
18 A ASN 100 2HD2
18 A ASN 120 1HD2
18 A ASN 120 2HD2
19 A GLN 25 1HE2
19 A GLN 25 2HE2
19 A ASN 45 1HD2
19 A ASN 45 2HD2
19 A ASN 46 1HD2
19 A ASN 46 2HD2
19 A ASN 52 1HD2
19 A ASN 52 2HD2
19 A ASN 53 1HD2
19 A ASN 53 2HD2
19 A ASN 56 1HD2
19 A ASN 56 2HD2
19 A ASN 64 1HD2
19 A ASN 64 2HD2
19 A ASN 75 1HD2
19 A ASN 75 2HD2
19 A ASN 76 1HD2
19 A ASN 76 2HD2
19 A ASN 100 1HD2
19 A ASN 100 2HD2
19 A ASN 120 1HD2
19 A ASN 120 2HD2
20 A GLN 25 1HE2
20 A GLN 25 2HE2
20 A ASN 45 1HD2
20 A ASN 45 2HD2
20 A ASN 46 1HD2
20 A ASN 46 2HD2
20 A ASN 52 1HD2
20 A ASN 52 2HD2
20 A ASN 53 1HD2
20 A ASN 53 2HD2
20 A ASN 56 1HD2
20 A ASN 56 2HD2
20 A ASN 64 1HD2
20 A ASN 64 2HD2
20 A ASN 75 1HD2
20 A ASN 75 2HD2
20 A ASN 76 1HD2
20 A ASN 76 2HD2
20 A ASN 100 1HD2
20 A ASN 100 2HD2
20 A ASN 120 1HD2
20 A ASN 120 2HD2
OTHER IMPORTANT ISSUES
==> The following residues are missing:
(Note: The SEQ number starts from 1 for each chain according to SEQRES
sequence record.)
RES MOD#C SEQ
MET( 1 A-128 )
SER( 1 A-127 )
ILE( 1 A-126 )
SER( 1 A-125 )
THR( 1 A-124 )
SER( 1 A-123 )
ALA( 1 A-122 )
GLU( 1 A-121 )
VAL( 1 A-120 )
TYR( 1 A-119 )
TYR( 1 A-118 )
GLU( 1 A-117 )
GLU( 1 A-116 )
ALA( 1 A-115 )
GLU( 1 A-114 )
GLU( 1 A-113 )
PHE( 1 A-112 )
LEU( 1 A-111 )
SER( 1 A-110 )
LYS( 1 A-109 )
GLY( 1 A-108 )
ASP( 1 A-107 )
LEU( 1 A-106 )
VAL( 1 A-105 )
GLN( 1 A-104 )
ALA( 1 A-103 )
CYS( 1 A-102 )
GLU( 1 A-101 )
LYS( 1 A-100 )
TYR( 1 A -99 )
TYR( 1 A -98 )
LYS( 1 A -97 )
ALA( 1 A -96 )
ALA( 1 A -95 )
GLU( 1 A -94 )
GLU( 1 A -93 )
ALA( 1 A -92 )
ILE( 1 A -91 )
LYS( 1 A -90 )
LEU( 1 A -89 )
LEU( 1 A -88 )
VAL( 1 A -87 )
ILE( 1 A -86 )
GLU( 1 A -85 )
ASN( 1 A -84 )
ASN( 1 A -83 )
LEU( 1 A -82 )
LYS( 1 A -81 )
GLU( 1 A -80 )
ILE( 1 A -79 )
THR( 1 A -78 )
ASN( 1 A -77 )
ASN( 1 A -76 )
VAL( 1 A -75 )
LYS( 1 A -74 )
ASN( 1 A -73 )
LYS( 1 A -72 )
GLY( 1 A -71 )
ARG( 1 A -70 )
TRP( 1 A -69 )
LYS( 1 A -68 )
SER( 1 A -67 )
GLU( 1 A -66 )
ASN( 1 A -65 )
LEU( 1 A -64 )
PHE( 1 A -63 )
LYS( 1 A -62 )
ALA( 1 A -61 )
SER( 1 A -60 )
LYS( 1 A -59 )
LEU( 1 A -58 )
LEU( 1 A -57 )
ARG( 1 A -56 )
SER( 1 A -55 )
ASN( 1 A -54 )
ASN( 1 A -53 )
THR( 1 A -52 )
GLU( 1 A -51 )
ILE( 1 A -50 )
PRO( 1 A -49 )
ILE( 1 A -48 )
LEU( 1 A -47 )
TRP( 1 A -46 )
LYS( 1 A -45 )
SER( 1 A -44 )
ALA( 1 A -43 )
TRP( 1 A -42 )
THR( 1 A -41 )
LEU( 1 A -40 )
HIS( 1 A -39 )
VAL( 1 A -38 )
GLU( 1 A -37 )
GLY( 1 A -36 )
PHE( 1 A -35 )
HIS( 1 A -34 )
GLU( 1 A -33 )
LEU( 1 A -32 )
SER( 1 A -31 )
LEU( 1 A -30 )
ASN( 1 A -29 )
GLU( 1 A -28 )
LYS( 1 A -27 )
GLU( 1 A -26 )
VAL( 1 A -25 )
LYS( 1 A -24 )
LYS( 1 A -23 )
LEU( 1 A -22 )
LYS( 1 A -21 )
GLU( 1 A -20 )
ASP( 1 A -19 )
VAL( 1 A -18 )
ARG( 1 A -17 )
LYS( 1 A -16 )
LEU( 1 A -15 )
VAL( 1 A -14 )
ILE( 1 A -13 )
PHE( 1 A -12 )
ALA( 1 A -11 )
VAL( 1 A -10 )
ASN( 1 A -9 )
SER( 1 A -8 )
LEU( 1 A -7 )
GLU( 1 A -6 )
HIS( 1 A -5 )
HIS( 1 A -4 )
HIS( 1 A -3 )
HIS( 1 A -2 )
HIS( 1 A -1 )
HIS( 1 A 0 )
MET( 2 A-128 )
SER( 2 A-127 )
ILE( 2 A-126 )
SER( 2 A-125 )
THR( 2 A-124 )
SER( 2 A-123 )
ALA( 2 A-122 )
GLU( 2 A-121 )
VAL( 2 A-120 )
TYR( 2 A-119 )
TYR( 2 A-118 )
GLU( 2 A-117 )
GLU( 2 A-116 )
ALA( 2 A-115 )
GLU( 2 A-114 )
GLU( 2 A-113 )
PHE( 2 A-112 )
LEU( 2 A-111 )
SER( 2 A-110 )
LYS( 2 A-109 )
GLY( 2 A-108 )
ASP( 2 A-107 )
LEU( 2 A-106 )
VAL( 2 A-105 )
GLN( 2 A-104 )
ALA( 2 A-103 )
CYS( 2 A-102 )
GLU( 2 A-101 )
LYS( 2 A-100 )
TYR( 2 A -99 )
TYR( 2 A -98 )
LYS( 2 A -97 )
ALA( 2 A -96 )
ALA( 2 A -95 )
GLU( 2 A -94 )
GLU( 2 A -93 )
ALA( 2 A -92 )
ILE( 2 A -91 )
LYS( 2 A -90 )
LEU( 2 A -89 )
LEU( 2 A -88 )
VAL( 2 A -87 )
ILE( 2 A -86 )
GLU( 2 A -85 )
ASN( 2 A -84 )
ASN( 2 A -83 )
LEU( 2 A -82 )
LYS( 2 A -81 )
GLU( 2 A -80 )
ILE( 2 A -79 )
THR( 2 A -78 )
ASN( 2 A -77 )
ASN( 2 A -76 )
VAL( 2 A -75 )
LYS( 2 A -74 )
ASN( 2 A -73 )
LYS( 2 A -72 )
GLY( 2 A -71 )
ARG( 2 A -70 )
TRP( 2 A -69 )
LYS( 2 A -68 )
SER( 2 A -67 )
GLU( 2 A -66 )
ASN( 2 A -65 )
LEU( 2 A -64 )
PHE( 2 A -63 )
LYS( 2 A -62 )
ALA( 2 A -61 )
SER( 2 A -60 )
LYS( 2 A -59 )
LEU( 2 A -58 )
LEU( 2 A -57 )
ARG( 2 A -56 )
SER( 2 A -55 )
ASN( 2 A -54 )
ASN( 2 A -53 )
THR( 2 A -52 )
GLU( 2 A -51 )
ILE( 2 A -50 )
PRO( 2 A -49 )
ILE( 2 A -48 )
LEU( 2 A -47 )
TRP( 2 A -46 )
LYS( 2 A -45 )
SER( 2 A -44 )
ALA( 2 A -43 )
TRP( 2 A -42 )
THR( 2 A -41 )
LEU( 2 A -40 )
HIS( 2 A -39 )
VAL( 2 A -38 )
GLU( 2 A -37 )
GLY( 2 A -36 )
PHE( 2 A -35 )
HIS( 2 A -34 )
GLU( 2 A -33 )
LEU( 2 A -32 )
SER( 2 A -31 )
LEU( 2 A -30 )
ASN( 2 A -29 )
GLU( 2 A -28 )
LYS( 2 A -27 )
GLU( 2 A -26 )
VAL( 2 A -25 )
LYS( 2 A -24 )
LYS( 2 A -23 )
LEU( 2 A -22 )
LYS( 2 A -21 )
GLU( 2 A -20 )
ASP( 2 A -19 )
VAL( 2 A -18 )
ARG( 2 A -17 )
LYS( 2 A -16 )
LEU( 2 A -15 )
VAL( 2 A -14 )
ILE( 2 A -13 )
PHE( 2 A -12 )
ALA( 2 A -11 )
VAL( 2 A -10 )
ASN( 2 A -9 )
SER( 2 A -8 )
LEU( 2 A -7 )
GLU( 2 A -6 )
HIS( 2 A -5 )
HIS( 2 A -4 )
HIS( 2 A -3 )
HIS( 2 A -2 )
HIS( 2 A -1 )
HIS( 2 A 0 )
MET( 3 A-128 )
SER( 3 A-127 )
ILE( 3 A-126 )
SER( 3 A-125 )
THR( 3 A-124 )
SER( 3 A-123 )
ALA( 3 A-122 )
GLU( 3 A-121 )
VAL( 3 A-120 )
TYR( 3 A-119 )
TYR( 3 A-118 )
GLU( 3 A-117 )
GLU( 3 A-116 )
ALA( 3 A-115 )
GLU( 3 A-114 )
GLU( 3 A-113 )
PHE( 3 A-112 )
LEU( 3 A-111 )
SER( 3 A-110 )
LYS( 3 A-109 )
GLY( 3 A-108 )
ASP( 3 A-107 )
LEU( 3 A-106 )
VAL( 3 A-105 )
GLN( 3 A-104 )
ALA( 3 A-103 )
CYS( 3 A-102 )
GLU( 3 A-101 )
LYS( 3 A-100 )
TYR( 3 A -99 )
TYR( 3 A -98 )
LYS( 3 A -97 )
ALA( 3 A -96 )
ALA( 3 A -95 )
GLU( 3 A -94 )
GLU( 3 A -93 )
ALA( 3 A -92 )
ILE( 3 A -91 )
LYS( 3 A -90 )
LEU( 3 A -89 )
LEU( 3 A -88 )
VAL( 3 A -87 )
ILE( 3 A -86 )
GLU( 3 A -85 )
ASN( 3 A -84 )
ASN( 3 A -83 )
LEU( 3 A -82 )
LYS( 3 A -81 )
GLU( 3 A -80 )
ILE( 3 A -79 )
THR( 3 A -78 )
ASN( 3 A -77 )
ASN( 3 A -76 )
VAL( 3 A -75 )
LYS( 3 A -74 )
ASN( 3 A -73 )
LYS( 3 A -72 )
GLY( 3 A -71 )
ARG( 3 A -70 )
TRP( 3 A -69 )
LYS( 3 A -68 )
SER( 3 A -67 )
GLU( 3 A -66 )
ASN( 3 A -65 )
LEU( 3 A -64 )
PHE( 3 A -63 )
LYS( 3 A -62 )
ALA( 3 A -61 )
SER( 3 A -60 )
LYS( 3 A -59 )
LEU( 3 A -58 )
LEU( 3 A -57 )
ARG( 3 A -56 )
SER( 3 A -55 )
ASN( 3 A -54 )
ASN( 3 A -53 )
THR( 3 A -52 )
GLU( 3 A -51 )
ILE( 3 A -50 )
PRO( 3 A -49 )
ILE( 3 A -48 )
LEU( 3 A -47 )
TRP( 3 A -46 )
LYS( 3 A -45 )
SER( 3 A -44 )
ALA( 3 A -43 )
TRP( 3 A -42 )
THR( 3 A -41 )
LEU( 3 A -40 )
HIS( 3 A -39 )
VAL( 3 A -38 )
GLU( 3 A -37 )
GLY( 3 A -36 )
PHE( 3 A -35 )
HIS( 3 A -34 )
GLU( 3 A -33 )
LEU( 3 A -32 )
SER( 3 A -31 )
LEU( 3 A -30 )
ASN( 3 A -29 )
GLU( 3 A -28 )
LYS( 3 A -27 )
GLU( 3 A -26 )
VAL( 3 A -25 )
LYS( 3 A -24 )
LYS( 3 A -23 )
LEU( 3 A -22 )
LYS( 3 A -21 )
GLU( 3 A -20 )
ASP( 3 A -19 )
VAL( 3 A -18 )
ARG( 3 A -17 )
LYS( 3 A -16 )
LEU( 3 A -15 )
VAL( 3 A -14 )
ILE( 3 A -13 )
PHE( 3 A -12 )
ALA( 3 A -11 )
VAL( 3 A -10 )
ASN( 3 A -9 )
SER( 3 A -8 )
LEU( 3 A -7 )
GLU( 3 A -6 )
HIS( 3 A -5 )
HIS( 3 A -4 )
HIS( 3 A -3 )
HIS( 3 A -2 )
HIS( 3 A -1 )
HIS( 3 A 0 )
MET( 4 A-128 )
SER( 4 A-127 )
ILE( 4 A-126 )
SER( 4 A-125 )
THR( 4 A-124 )
SER( 4 A-123 )
ALA( 4 A-122 )
GLU( 4 A-121 )
VAL( 4 A-120 )
TYR( 4 A-119 )
TYR( 4 A-118 )
GLU( 4 A-117 )
GLU( 4 A-116 )
ALA( 4 A-115 )
GLU( 4 A-114 )
GLU( 4 A-113 )
PHE( 4 A-112 )
LEU( 4 A-111 )
SER( 4 A-110 )
LYS( 4 A-109 )
GLY( 4 A-108 )
ASP( 4 A-107 )
LEU( 4 A-106 )
VAL( 4 A-105 )
GLN( 4 A-104 )
ALA( 4 A-103 )
CYS( 4 A-102 )
GLU( 4 A-101 )
LYS( 4 A-100 )
TYR( 4 A -99 )
TYR( 4 A -98 )
LYS( 4 A -97 )
ALA( 4 A -96 )
ALA( 4 A -95 )
GLU( 4 A -94 )
GLU( 4 A -93 )
ALA( 4 A -92 )
ILE( 4 A -91 )
LYS( 4 A -90 )
LEU( 4 A -89 )
LEU( 4 A -88 )
VAL( 4 A -87 )
ILE( 4 A -86 )
GLU( 4 A -85 )
ASN( 4 A -84 )
ASN( 4 A -83 )
LEU( 4 A -82 )
LYS( 4 A -81 )
GLU( 4 A -80 )
ILE( 4 A -79 )
THR( 4 A -78 )
ASN( 4 A -77 )
ASN( 4 A -76 )
VAL( 4 A -75 )
LYS( 4 A -74 )
ASN( 4 A -73 )
LYS( 4 A -72 )
GLY( 4 A -71 )
ARG( 4 A -70 )
TRP( 4 A -69 )
LYS( 4 A -68 )
SER( 4 A -67 )
GLU( 4 A -66 )
ASN( 4 A -65 )
LEU( 4 A -64 )
PHE( 4 A -63 )
LYS( 4 A -62 )
ALA( 4 A -61 )
SER( 4 A -60 )
LYS( 4 A -59 )
LEU( 4 A -58 )
LEU( 4 A -57 )
ARG( 4 A -56 )
SER( 4 A -55 )
ASN( 4 A -54 )
ASN( 4 A -53 )
THR( 4 A -52 )
GLU( 4 A -51 )
ILE( 4 A -50 )
PRO( 4 A -49 )
ILE( 4 A -48 )
LEU( 4 A -47 )
TRP( 4 A -46 )
LYS( 4 A -45 )
SER( 4 A -44 )
ALA( 4 A -43 )
TRP( 4 A -42 )
THR( 4 A -41 )
LEU( 4 A -40 )
HIS( 4 A -39 )
VAL( 4 A -38 )
GLU( 4 A -37 )
GLY( 4 A -36 )
PHE( 4 A -35 )
HIS( 4 A -34 )
GLU( 4 A -33 )
LEU( 4 A -32 )
SER( 4 A -31 )
LEU( 4 A -30 )
ASN( 4 A -29 )
GLU( 4 A -28 )
LYS( 4 A -27 )
GLU( 4 A -26 )
VAL( 4 A -25 )
LYS( 4 A -24 )
LYS( 4 A -23 )
LEU( 4 A -22 )
LYS( 4 A -21 )
GLU( 4 A -20 )
ASP( 4 A -19 )
VAL( 4 A -18 )
ARG( 4 A -17 )
LYS( 4 A -16 )
LEU( 4 A -15 )
VAL( 4 A -14 )
ILE( 4 A -13 )
PHE( 4 A -12 )
ALA( 4 A -11 )
VAL( 4 A -10 )
ASN( 4 A -9 )
SER( 4 A -8 )
LEU( 4 A -7 )
GLU( 4 A -6 )
HIS( 4 A -5 )
HIS( 4 A -4 )
HIS( 4 A -3 )
HIS( 4 A -2 )
HIS( 4 A -1 )
HIS( 4 A 0 )
MET( 5 A-128 )
SER( 5 A-127 )
ILE( 5 A-126 )
SER( 5 A-125 )
THR( 5 A-124 )
SER( 5 A-123 )
ALA( 5 A-122 )
GLU( 5 A-121 )
VAL( 5 A-120 )
TYR( 5 A-119 )
TYR( 5 A-118 )
GLU( 5 A-117 )
GLU( 5 A-116 )
ALA( 5 A-115 )
GLU( 5 A-114 )
GLU( 5 A-113 )
PHE( 5 A-112 )
LEU( 5 A-111 )
SER( 5 A-110 )
LYS( 5 A-109 )
GLY( 5 A-108 )
ASP( 5 A-107 )
LEU( 5 A-106 )
VAL( 5 A-105 )
GLN( 5 A-104 )
ALA( 5 A-103 )
CYS( 5 A-102 )
GLU( 5 A-101 )
LYS( 5 A-100 )
TYR( 5 A -99 )
TYR( 5 A -98 )
LYS( 5 A -97 )
ALA( 5 A -96 )
ALA( 5 A -95 )
GLU( 5 A -94 )
GLU( 5 A -93 )
ALA( 5 A -92 )
ILE( 5 A -91 )
LYS( 5 A -90 )
LEU( 5 A -89 )
LEU( 5 A -88 )
VAL( 5 A -87 )
ILE( 5 A -86 )
GLU( 5 A -85 )
ASN( 5 A -84 )
ASN( 5 A -83 )
LEU( 5 A -82 )
LYS( 5 A -81 )
GLU( 5 A -80 )
ILE( 5 A -79 )
THR( 5 A -78 )
ASN( 5 A -77 )
ASN( 5 A -76 )
VAL( 5 A -75 )
LYS( 5 A -74 )
ASN( 5 A -73 )
LYS( 5 A -72 )
GLY( 5 A -71 )
ARG( 5 A -70 )
TRP( 5 A -69 )
LYS( 5 A -68 )
SER( 5 A -67 )
GLU( 5 A -66 )
ASN( 5 A -65 )
LEU( 5 A -64 )
PHE( 5 A -63 )
LYS( 5 A -62 )
ALA( 5 A -61 )
SER( 5 A -60 )
LYS( 5 A -59 )
LEU( 5 A -58 )
LEU( 5 A -57 )
ARG( 5 A -56 )
SER( 5 A -55 )
ASN( 5 A -54 )
ASN( 5 A -53 )
THR( 5 A -52 )
GLU( 5 A -51 )
ILE( 5 A -50 )
PRO( 5 A -49 )
ILE( 5 A -48 )
LEU( 5 A -47 )
TRP( 5 A -46 )
LYS( 5 A -45 )
SER( 5 A -44 )
ALA( 5 A -43 )
TRP( 5 A -42 )
THR( 5 A -41 )
LEU( 5 A -40 )
HIS( 5 A -39 )
VAL( 5 A -38 )
GLU( 5 A -37 )
GLY( 5 A -36 )
PHE( 5 A -35 )
HIS( 5 A -34 )
GLU( 5 A -33 )
LEU( 5 A -32 )
SER( 5 A -31 )
LEU( 5 A -30 )
ASN( 5 A -29 )
GLU( 5 A -28 )
LYS( 5 A -27 )
GLU( 5 A -26 )
VAL( 5 A -25 )
LYS( 5 A -24 )
LYS( 5 A -23 )
LEU( 5 A -22 )
LYS( 5 A -21 )
GLU( 5 A -20 )
ASP( 5 A -19 )
VAL( 5 A -18 )
ARG( 5 A -17 )
LYS( 5 A -16 )
LEU( 5 A -15 )
VAL( 5 A -14 )
ILE( 5 A -13 )
PHE( 5 A -12 )
ALA( 5 A -11 )
VAL( 5 A -10 )
ASN( 5 A -9 )
SER( 5 A -8 )
LEU( 5 A -7 )
GLU( 5 A -6 )
HIS( 5 A -5 )
HIS( 5 A -4 )
HIS( 5 A -3 )
HIS( 5 A -2 )
HIS( 5 A -1 )
HIS( 5 A 0 )
MET( 6 A-128 )
SER( 6 A-127 )
ILE( 6 A-126 )
SER( 6 A-125 )
THR( 6 A-124 )
SER( 6 A-123 )
ALA( 6 A-122 )
GLU( 6 A-121 )
VAL( 6 A-120 )
TYR( 6 A-119 )
TYR( 6 A-118 )
GLU( 6 A-117 )
GLU( 6 A-116 )
ALA( 6 A-115 )
GLU( 6 A-114 )
GLU( 6 A-113 )
PHE( 6 A-112 )
LEU( 6 A-111 )
SER( 6 A-110 )
LYS( 6 A-109 )
GLY( 6 A-108 )
ASP( 6 A-107 )
LEU( 6 A-106 )
VAL( 6 A-105 )
GLN( 6 A-104 )
ALA( 6 A-103 )
CYS( 6 A-102 )
GLU( 6 A-101 )
LYS( 6 A-100 )
TYR( 6 A -99 )
TYR( 6 A -98 )
LYS( 6 A -97 )
ALA( 6 A -96 )
ALA( 6 A -95 )
GLU( 6 A -94 )
GLU( 6 A -93 )
ALA( 6 A -92 )
ILE( 6 A -91 )
LYS( 6 A -90 )
LEU( 6 A -89 )
LEU( 6 A -88 )
VAL( 6 A -87 )
ILE( 6 A -86 )
GLU( 6 A -85 )
ASN( 6 A -84 )
ASN( 6 A -83 )
LEU( 6 A -82 )
LYS( 6 A -81 )
GLU( 6 A -80 )
ILE( 6 A -79 )
THR( 6 A -78 )
ASN( 6 A -77 )
ASN( 6 A -76 )
VAL( 6 A -75 )
LYS( 6 A -74 )
ASN( 6 A -73 )
LYS( 6 A -72 )
GLY( 6 A -71 )
ARG( 6 A -70 )
TRP( 6 A -69 )
LYS( 6 A -68 )
SER( 6 A -67 )
GLU( 6 A -66 )
ASN( 6 A -65 )
LEU( 6 A -64 )
PHE( 6 A -63 )
LYS( 6 A -62 )
ALA( 6 A -61 )
SER( 6 A -60 )
LYS( 6 A -59 )
LEU( 6 A -58 )
LEU( 6 A -57 )
ARG( 6 A -56 )
SER( 6 A -55 )
ASN( 6 A -54 )
ASN( 6 A -53 )
THR( 6 A -52 )
GLU( 6 A -51 )
ILE( 6 A -50 )
PRO( 6 A -49 )
ILE( 6 A -48 )
LEU( 6 A -47 )
TRP( 6 A -46 )
LYS( 6 A -45 )
SER( 6 A -44 )
ALA( 6 A -43 )
TRP( 6 A -42 )
THR( 6 A -41 )
LEU( 6 A -40 )
HIS( 6 A -39 )
VAL( 6 A -38 )
GLU( 6 A -37 )
GLY( 6 A -36 )
PHE( 6 A -35 )
HIS( 6 A -34 )
GLU( 6 A -33 )
LEU( 6 A -32 )
SER( 6 A -31 )
LEU( 6 A -30 )
ASN( 6 A -29 )
GLU( 6 A -28 )
LYS( 6 A -27 )
GLU( 6 A -26 )
VAL( 6 A -25 )
LYS( 6 A -24 )
LYS( 6 A -23 )
LEU( 6 A -22 )
LYS( 6 A -21 )
GLU( 6 A -20 )
ASP( 6 A -19 )
VAL( 6 A -18 )
ARG( 6 A -17 )
LYS( 6 A -16 )
LEU( 6 A -15 )
VAL( 6 A -14 )
ILE( 6 A -13 )
PHE( 6 A -12 )
ALA( 6 A -11 )
VAL( 6 A -10 )
ASN( 6 A -9 )
SER( 6 A -8 )
LEU( 6 A -7 )
GLU( 6 A -6 )
HIS( 6 A -5 )
HIS( 6 A -4 )
HIS( 6 A -3 )
HIS( 6 A -2 )
HIS( 6 A -1 )
HIS( 6 A 0 )
MET( 7 A-128 )
SER( 7 A-127 )
ILE( 7 A-126 )
SER( 7 A-125 )
THR( 7 A-124 )
SER( 7 A-123 )
ALA( 7 A-122 )
GLU( 7 A-121 )
VAL( 7 A-120 )
TYR( 7 A-119 )
TYR( 7 A-118 )
GLU( 7 A-117 )
GLU( 7 A-116 )
ALA( 7 A-115 )
GLU( 7 A-114 )
GLU( 7 A-113 )
PHE( 7 A-112 )
LEU( 7 A-111 )
SER( 7 A-110 )
LYS( 7 A-109 )
GLY( 7 A-108 )
ASP( 7 A-107 )
LEU( 7 A-106 )
VAL( 7 A-105 )
GLN( 7 A-104 )
ALA( 7 A-103 )
CYS( 7 A-102 )
GLU( 7 A-101 )
LYS( 7 A-100 )
TYR( 7 A -99 )
TYR( 7 A -98 )
LYS( 7 A -97 )
ALA( 7 A -96 )
ALA( 7 A -95 )
GLU( 7 A -94 )
GLU( 7 A -93 )
ALA( 7 A -92 )
ILE( 7 A -91 )
LYS( 7 A -90 )
LEU( 7 A -89 )
LEU( 7 A -88 )
VAL( 7 A -87 )
ILE( 7 A -86 )
GLU( 7 A -85 )
ASN( 7 A -84 )
ASN( 7 A -83 )
LEU( 7 A -82 )
LYS( 7 A -81 )
GLU( 7 A -80 )
ILE( 7 A -79 )
THR( 7 A -78 )
ASN( 7 A -77 )
ASN( 7 A -76 )
VAL( 7 A -75 )
LYS( 7 A -74 )
ASN( 7 A -73 )
LYS( 7 A -72 )
GLY( 7 A -71 )
ARG( 7 A -70 )
TRP( 7 A -69 )
LYS( 7 A -68 )
SER( 7 A -67 )
GLU( 7 A -66 )
ASN( 7 A -65 )
LEU( 7 A -64 )
PHE( 7 A -63 )
LYS( 7 A -62 )
ALA( 7 A -61 )
SER( 7 A -60 )
LYS( 7 A -59 )
LEU( 7 A -58 )
LEU( 7 A -57 )
ARG( 7 A -56 )
SER( 7 A -55 )
ASN( 7 A -54 )
ASN( 7 A -53 )
THR( 7 A -52 )
GLU( 7 A -51 )
ILE( 7 A -50 )
PRO( 7 A -49 )
ILE( 7 A -48 )
LEU( 7 A -47 )
TRP( 7 A -46 )
LYS( 7 A -45 )
SER( 7 A -44 )
ALA( 7 A -43 )
TRP( 7 A -42 )
THR( 7 A -41 )
LEU( 7 A -40 )
HIS( 7 A -39 )
VAL( 7 A -38 )
GLU( 7 A -37 )
GLY( 7 A -36 )
PHE( 7 A -35 )
HIS( 7 A -34 )
GLU( 7 A -33 )
LEU( 7 A -32 )
SER( 7 A -31 )
LEU( 7 A -30 )
ASN( 7 A -29 )
GLU( 7 A -28 )
LYS( 7 A -27 )
GLU( 7 A -26 )
VAL( 7 A -25 )
LYS( 7 A -24 )
LYS( 7 A -23 )
LEU( 7 A -22 )
LYS( 7 A -21 )
GLU( 7 A -20 )
ASP( 7 A -19 )
VAL( 7 A -18 )
ARG( 7 A -17 )
LYS( 7 A -16 )
LEU( 7 A -15 )
VAL( 7 A -14 )
ILE( 7 A -13 )
PHE( 7 A -12 )
ALA( 7 A -11 )
VAL( 7 A -10 )
ASN( 7 A -9 )
SER( 7 A -8 )
LEU( 7 A -7 )
GLU( 7 A -6 )
HIS( 7 A -5 )
HIS( 7 A -4 )
HIS( 7 A -3 )
HIS( 7 A -2 )
HIS( 7 A -1 )
HIS( 7 A 0 )
MET( 8 A-128 )
SER( 8 A-127 )
ILE( 8 A-126 )
SER( 8 A-125 )
THR( 8 A-124 )
SER( 8 A-123 )
ALA( 8 A-122 )
GLU( 8 A-121 )
VAL( 8 A-120 )
TYR( 8 A-119 )
TYR( 8 A-118 )
GLU( 8 A-117 )
GLU( 8 A-116 )
ALA( 8 A-115 )
GLU( 8 A-114 )
GLU( 8 A-113 )
PHE( 8 A-112 )
LEU( 8 A-111 )
SER( 8 A-110 )
LYS( 8 A-109 )
GLY( 8 A-108 )
ASP( 8 A-107 )
LEU( 8 A-106 )
VAL( 8 A-105 )
GLN( 8 A-104 )
ALA( 8 A-103 )
CYS( 8 A-102 )
GLU( 8 A-101 )
LYS( 8 A-100 )
TYR( 8 A -99 )
TYR( 8 A -98 )
LYS( 8 A -97 )
ALA( 8 A -96 )
ALA( 8 A -95 )
GLU( 8 A -94 )
GLU( 8 A -93 )
ALA( 8 A -92 )
ILE( 8 A -91 )
LYS( 8 A -90 )
LEU( 8 A -89 )
LEU( 8 A -88 )
VAL( 8 A -87 )
ILE( 8 A -86 )
GLU( 8 A -85 )
ASN( 8 A -84 )
ASN( 8 A -83 )
LEU( 8 A -82 )
LYS( 8 A -81 )
GLU( 8 A -80 )
ILE( 8 A -79 )
THR( 8 A -78 )
ASN( 8 A -77 )
ASN( 8 A -76 )
VAL( 8 A -75 )
LYS( 8 A -74 )
ASN( 8 A -73 )
LYS( 8 A -72 )
GLY( 8 A -71 )
ARG( 8 A -70 )
TRP( 8 A -69 )
LYS( 8 A -68 )
SER( 8 A -67 )
GLU( 8 A -66 )
ASN( 8 A -65 )
LEU( 8 A -64 )
PHE( 8 A -63 )
LYS( 8 A -62 )
ALA( 8 A -61 )
SER( 8 A -60 )
LYS( 8 A -59 )
LEU( 8 A -58 )
LEU( 8 A -57 )
ARG( 8 A -56 )
SER( 8 A -55 )
ASN( 8 A -54 )
ASN( 8 A -53 )
THR( 8 A -52 )
GLU( 8 A -51 )
ILE( 8 A -50 )
PRO( 8 A -49 )
ILE( 8 A -48 )
LEU( 8 A -47 )
TRP( 8 A -46 )
LYS( 8 A -45 )
SER( 8 A -44 )
ALA( 8 A -43 )
TRP( 8 A -42 )
THR( 8 A -41 )
LEU( 8 A -40 )
HIS( 8 A -39 )
VAL( 8 A -38 )
GLU( 8 A -37 )
GLY( 8 A -36 )
PHE( 8 A -35 )
HIS( 8 A -34 )
GLU( 8 A -33 )
LEU( 8 A -32 )
SER( 8 A -31 )
LEU( 8 A -30 )
ASN( 8 A -29 )
GLU( 8 A -28 )
LYS( 8 A -27 )
GLU( 8 A -26 )
VAL( 8 A -25 )
LYS( 8 A -24 )
LYS( 8 A -23 )
LEU( 8 A -22 )
LYS( 8 A -21 )
GLU( 8 A -20 )
ASP( 8 A -19 )
VAL( 8 A -18 )
ARG( 8 A -17 )
LYS( 8 A -16 )
LEU( 8 A -15 )
VAL( 8 A -14 )
ILE( 8 A -13 )
PHE( 8 A -12 )
ALA( 8 A -11 )
VAL( 8 A -10 )
ASN( 8 A -9 )
SER( 8 A -8 )
LEU( 8 A -7 )
GLU( 8 A -6 )
HIS( 8 A -5 )
HIS( 8 A -4 )
HIS( 8 A -3 )
HIS( 8 A -2 )
HIS( 8 A -1 )
HIS( 8 A 0 )
MET( 9 A-128 )
SER( 9 A-127 )
ILE( 9 A-126 )
SER( 9 A-125 )
THR( 9 A-124 )
SER( 9 A-123 )
ALA( 9 A-122 )
GLU( 9 A-121 )
VAL( 9 A-120 )
TYR( 9 A-119 )
TYR( 9 A-118 )
GLU( 9 A-117 )
GLU( 9 A-116 )
ALA( 9 A-115 )
GLU( 9 A-114 )
GLU( 9 A-113 )
PHE( 9 A-112 )
LEU( 9 A-111 )
SER( 9 A-110 )
LYS( 9 A-109 )
GLY( 9 A-108 )
ASP( 9 A-107 )
LEU( 9 A-106 )
VAL( 9 A-105 )
GLN( 9 A-104 )
ALA( 9 A-103 )
CYS( 9 A-102 )
GLU( 9 A-101 )
LYS( 9 A-100 )
TYR( 9 A -99 )
TYR( 9 A -98 )
LYS( 9 A -97 )
ALA( 9 A -96 )
ALA( 9 A -95 )
GLU( 9 A -94 )
GLU( 9 A -93 )
ALA( 9 A -92 )
ILE( 9 A -91 )
LYS( 9 A -90 )
LEU( 9 A -89 )
LEU( 9 A -88 )
VAL( 9 A -87 )
ILE( 9 A -86 )
GLU( 9 A -85 )
ASN( 9 A -84 )
ASN( 9 A -83 )
LEU( 9 A -82 )
LYS( 9 A -81 )
GLU( 9 A -80 )
ILE( 9 A -79 )
THR( 9 A -78 )
ASN( 9 A -77 )
ASN( 9 A -76 )
VAL( 9 A -75 )
LYS( 9 A -74 )
ASN( 9 A -73 )
LYS( 9 A -72 )
GLY( 9 A -71 )
ARG( 9 A -70 )
TRP( 9 A -69 )
LYS( 9 A -68 )
SER( 9 A -67 )
GLU( 9 A -66 )
ASN( 9 A -65 )
LEU( 9 A -64 )
PHE( 9 A -63 )
LYS( 9 A -62 )
ALA( 9 A -61 )
SER( 9 A -60 )
LYS( 9 A -59 )
LEU( 9 A -58 )
LEU( 9 A -57 )
ARG( 9 A -56 )
SER( 9 A -55 )
ASN( 9 A -54 )
ASN( 9 A -53 )
THR( 9 A -52 )
GLU( 9 A -51 )
ILE( 9 A -50 )
PRO( 9 A -49 )
ILE( 9 A -48 )
LEU( 9 A -47 )
TRP( 9 A -46 )
LYS( 9 A -45 )
SER( 9 A -44 )
ALA( 9 A -43 )
TRP( 9 A -42 )
THR( 9 A -41 )
LEU( 9 A -40 )
HIS( 9 A -39 )
VAL( 9 A -38 )
GLU( 9 A -37 )
GLY( 9 A -36 )
PHE( 9 A -35 )
HIS( 9 A -34 )
GLU( 9 A -33 )
LEU( 9 A -32 )
SER( 9 A -31 )
LEU( 9 A -30 )
ASN( 9 A -29 )
GLU( 9 A -28 )
LYS( 9 A -27 )
GLU( 9 A -26 )
VAL( 9 A -25 )
LYS( 9 A -24 )
LYS( 9 A -23 )
LEU( 9 A -22 )
LYS( 9 A -21 )
GLU( 9 A -20 )
ASP( 9 A -19 )
VAL( 9 A -18 )
ARG( 9 A -17 )
LYS( 9 A -16 )
LEU( 9 A -15 )
VAL( 9 A -14 )
ILE( 9 A -13 )
PHE( 9 A -12 )
ALA( 9 A -11 )
VAL( 9 A -10 )
ASN( 9 A -9 )
SER( 9 A -8 )
LEU( 9 A -7 )
GLU( 9 A -6 )
HIS( 9 A -5 )
HIS( 9 A -4 )
HIS( 9 A -3 )
HIS( 9 A -2 )
HIS( 9 A -1 )
HIS( 9 A 0 )
MET( 10 A-128 )
SER( 10 A-127 )
ILE( 10 A-126 )
SER( 10 A-125 )
THR( 10 A-124 )
SER( 10 A-123 )
ALA( 10 A-122 )
GLU( 10 A-121 )
VAL( 10 A-120 )
TYR( 10 A-119 )
TYR( 10 A-118 )
GLU( 10 A-117 )
GLU( 10 A-116 )
ALA( 10 A-115 )
GLU( 10 A-114 )
GLU( 10 A-113 )
PHE( 10 A-112 )
LEU( 10 A-111 )
SER( 10 A-110 )
LYS( 10 A-109 )
GLY( 10 A-108 )
ASP( 10 A-107 )
LEU( 10 A-106 )
VAL( 10 A-105 )
GLN( 10 A-104 )
ALA( 10 A-103 )
CYS( 10 A-102 )
GLU( 10 A-101 )
LYS( 10 A-100 )
TYR( 10 A -99 )
TYR( 10 A -98 )
LYS( 10 A -97 )
ALA( 10 A -96 )
ALA( 10 A -95 )
GLU( 10 A -94 )
GLU( 10 A -93 )
ALA( 10 A -92 )
ILE( 10 A -91 )
LYS( 10 A -90 )
LEU( 10 A -89 )
LEU( 10 A -88 )
VAL( 10 A -87 )
ILE( 10 A -86 )
GLU( 10 A -85 )
ASN( 10 A -84 )
ASN( 10 A -83 )
LEU( 10 A -82 )
LYS( 10 A -81 )
GLU( 10 A -80 )
ILE( 10 A -79 )
THR( 10 A -78 )
ASN( 10 A -77 )
ASN( 10 A -76 )
VAL( 10 A -75 )
LYS( 10 A -74 )
ASN( 10 A -73 )
LYS( 10 A -72 )
GLY( 10 A -71 )
ARG( 10 A -70 )
TRP( 10 A -69 )
LYS( 10 A -68 )
SER( 10 A -67 )
GLU( 10 A -66 )
ASN( 10 A -65 )
LEU( 10 A -64 )
PHE( 10 A -63 )
LYS( 10 A -62 )
ALA( 10 A -61 )
SER( 10 A -60 )
LYS( 10 A -59 )
LEU( 10 A -58 )
LEU( 10 A -57 )
ARG( 10 A -56 )
SER( 10 A -55 )
ASN( 10 A -54 )
ASN( 10 A -53 )
THR( 10 A -52 )
GLU( 10 A -51 )
ILE( 10 A -50 )
PRO( 10 A -49 )
ILE( 10 A -48 )
LEU( 10 A -47 )
TRP( 10 A -46 )
LYS( 10 A -45 )
SER( 10 A -44 )
ALA( 10 A -43 )
TRP( 10 A -42 )
THR( 10 A -41 )
LEU( 10 A -40 )
HIS( 10 A -39 )
VAL( 10 A -38 )
GLU( 10 A -37 )
GLY( 10 A -36 )
PHE( 10 A -35 )
HIS( 10 A -34 )
GLU( 10 A -33 )
LEU( 10 A -32 )
SER( 10 A -31 )
LEU( 10 A -30 )
ASN( 10 A -29 )
GLU( 10 A -28 )
LYS( 10 A -27 )
GLU( 10 A -26 )
VAL( 10 A -25 )
LYS( 10 A -24 )
LYS( 10 A -23 )
LEU( 10 A -22 )
LYS( 10 A -21 )
GLU( 10 A -20 )
ASP( 10 A -19 )
VAL( 10 A -18 )
ARG( 10 A -17 )
LYS( 10 A -16 )
LEU( 10 A -15 )
VAL( 10 A -14 )
ILE( 10 A -13 )
PHE( 10 A -12 )
ALA( 10 A -11 )
VAL( 10 A -10 )
ASN( 10 A -9 )
SER( 10 A -8 )
LEU( 10 A -7 )
GLU( 10 A -6 )
HIS( 10 A -5 )
HIS( 10 A -4 )
HIS( 10 A -3 )
HIS( 10 A -2 )
HIS( 10 A -1 )
HIS( 10 A 0 )
MET( 11 A-128 )
SER( 11 A-127 )
ILE( 11 A-126 )
SER( 11 A-125 )
THR( 11 A-124 )
SER( 11 A-123 )
ALA( 11 A-122 )
GLU( 11 A-121 )
VAL( 11 A-120 )
TYR( 11 A-119 )
TYR( 11 A-118 )
GLU( 11 A-117 )
GLU( 11 A-116 )
ALA( 11 A-115 )
GLU( 11 A-114 )
GLU( 11 A-113 )
PHE( 11 A-112 )
LEU( 11 A-111 )
SER( 11 A-110 )
LYS( 11 A-109 )
GLY( 11 A-108 )
ASP( 11 A-107 )
LEU( 11 A-106 )
VAL( 11 A-105 )
GLN( 11 A-104 )
ALA( 11 A-103 )
CYS( 11 A-102 )
GLU( 11 A-101 )
LYS( 11 A-100 )
TYR( 11 A -99 )
TYR( 11 A -98 )
LYS( 11 A -97 )
ALA( 11 A -96 )
ALA( 11 A -95 )
GLU( 11 A -94 )
GLU( 11 A -93 )
ALA( 11 A -92 )
ILE( 11 A -91 )
LYS( 11 A -90 )
LEU( 11 A -89 )
LEU( 11 A -88 )
VAL( 11 A -87 )
ILE( 11 A -86 )
GLU( 11 A -85 )
ASN( 11 A -84 )
ASN( 11 A -83 )
LEU( 11 A -82 )
LYS( 11 A -81 )
GLU( 11 A -80 )
ILE( 11 A -79 )
THR( 11 A -78 )
ASN( 11 A -77 )
ASN( 11 A -76 )
VAL( 11 A -75 )
LYS( 11 A -74 )
ASN( 11 A -73 )
LYS( 11 A -72 )
GLY( 11 A -71 )
ARG( 11 A -70 )
TRP( 11 A -69 )
LYS( 11 A -68 )
SER( 11 A -67 )
GLU( 11 A -66 )
ASN( 11 A -65 )
LEU( 11 A -64 )
PHE( 11 A -63 )
LYS( 11 A -62 )
ALA( 11 A -61 )
SER( 11 A -60 )
LYS( 11 A -59 )
LEU( 11 A -58 )
LEU( 11 A -57 )
ARG( 11 A -56 )
SER( 11 A -55 )
ASN( 11 A -54 )
ASN( 11 A -53 )
THR( 11 A -52 )
GLU( 11 A -51 )
ILE( 11 A -50 )
PRO( 11 A -49 )
ILE( 11 A -48 )
LEU( 11 A -47 )
TRP( 11 A -46 )
LYS( 11 A -45 )
SER( 11 A -44 )
ALA( 11 A -43 )
TRP( 11 A -42 )
THR( 11 A -41 )
LEU( 11 A -40 )
HIS( 11 A -39 )
VAL( 11 A -38 )
GLU( 11 A -37 )
GLY( 11 A -36 )
PHE( 11 A -35 )
HIS( 11 A -34 )
GLU( 11 A -33 )
LEU( 11 A -32 )
SER( 11 A -31 )
LEU( 11 A -30 )
ASN( 11 A -29 )
GLU( 11 A -28 )
LYS( 11 A -27 )
GLU( 11 A -26 )
VAL( 11 A -25 )
LYS( 11 A -24 )
LYS( 11 A -23 )
LEU( 11 A -22 )
LYS( 11 A -21 )
GLU( 11 A -20 )
ASP( 11 A -19 )
VAL( 11 A -18 )
ARG( 11 A -17 )
LYS( 11 A -16 )
LEU( 11 A -15 )
VAL( 11 A -14 )
ILE( 11 A -13 )
PHE( 11 A -12 )
ALA( 11 A -11 )
VAL( 11 A -10 )
ASN( 11 A -9 )
SER( 11 A -8 )
LEU( 11 A -7 )
GLU( 11 A -6 )
HIS( 11 A -5 )
HIS( 11 A -4 )
HIS( 11 A -3 )
HIS( 11 A -2 )
HIS( 11 A -1 )
HIS( 11 A 0 )
MET( 12 A-128 )
SER( 12 A-127 )
ILE( 12 A-126 )
SER( 12 A-125 )
THR( 12 A-124 )
SER( 12 A-123 )
ALA( 12 A-122 )
GLU( 12 A-121 )
VAL( 12 A-120 )
TYR( 12 A-119 )
TYR( 12 A-118 )
GLU( 12 A-117 )
GLU( 12 A-116 )
ALA( 12 A-115 )
GLU( 12 A-114 )
GLU( 12 A-113 )
PHE( 12 A-112 )
LEU( 12 A-111 )
SER( 12 A-110 )
LYS( 12 A-109 )
GLY( 12 A-108 )
ASP( 12 A-107 )
LEU( 12 A-106 )
VAL( 12 A-105 )
GLN( 12 A-104 )
ALA( 12 A-103 )
CYS( 12 A-102 )
GLU( 12 A-101 )
LYS( 12 A-100 )
TYR( 12 A -99 )
TYR( 12 A -98 )
LYS( 12 A -97 )
ALA( 12 A -96 )
ALA( 12 A -95 )
GLU( 12 A -94 )
GLU( 12 A -93 )
ALA( 12 A -92 )
ILE( 12 A -91 )
LYS( 12 A -90 )
LEU( 12 A -89 )
LEU( 12 A -88 )
VAL( 12 A -87 )
ILE( 12 A -86 )
GLU( 12 A -85 )
ASN( 12 A -84 )
ASN( 12 A -83 )
LEU( 12 A -82 )
LYS( 12 A -81 )
GLU( 12 A -80 )
ILE( 12 A -79 )
THR( 12 A -78 )
ASN( 12 A -77 )
ASN( 12 A -76 )
VAL( 12 A -75 )
LYS( 12 A -74 )
ASN( 12 A -73 )
LYS( 12 A -72 )
GLY( 12 A -71 )
ARG( 12 A -70 )
TRP( 12 A -69 )
LYS( 12 A -68 )
SER( 12 A -67 )
GLU( 12 A -66 )
ASN( 12 A -65 )
LEU( 12 A -64 )
PHE( 12 A -63 )
LYS( 12 A -62 )
ALA( 12 A -61 )
SER( 12 A -60 )
LYS( 12 A -59 )
LEU( 12 A -58 )
LEU( 12 A -57 )
ARG( 12 A -56 )
SER( 12 A -55 )
ASN( 12 A -54 )
ASN( 12 A -53 )
THR( 12 A -52 )
GLU( 12 A -51 )
ILE( 12 A -50 )
PRO( 12 A -49 )
ILE( 12 A -48 )
LEU( 12 A -47 )
TRP( 12 A -46 )
LYS( 12 A -45 )
SER( 12 A -44 )
ALA( 12 A -43 )
TRP( 12 A -42 )
THR( 12 A -41 )
LEU( 12 A -40 )
HIS( 12 A -39 )
VAL( 12 A -38 )
GLU( 12 A -37 )
GLY( 12 A -36 )
PHE( 12 A -35 )
HIS( 12 A -34 )
GLU( 12 A -33 )
LEU( 12 A -32 )
SER( 12 A -31 )
LEU( 12 A -30 )
ASN( 12 A -29 )
GLU( 12 A -28 )
LYS( 12 A -27 )
GLU( 12 A -26 )
VAL( 12 A -25 )
LYS( 12 A -24 )
LYS( 12 A -23 )
LEU( 12 A -22 )
LYS( 12 A -21 )
GLU( 12 A -20 )
ASP( 12 A -19 )
VAL( 12 A -18 )
ARG( 12 A -17 )
LYS( 12 A -16 )
LEU( 12 A -15 )
VAL( 12 A -14 )
ILE( 12 A -13 )
PHE( 12 A -12 )
ALA( 12 A -11 )
VAL( 12 A -10 )
ASN( 12 A -9 )
SER( 12 A -8 )
LEU( 12 A -7 )
GLU( 12 A -6 )
HIS( 12 A -5 )
HIS( 12 A -4 )
HIS( 12 A -3 )
HIS( 12 A -2 )
HIS( 12 A -1 )
HIS( 12 A 0 )
MET( 13 A-128 )
SER( 13 A-127 )
ILE( 13 A-126 )
SER( 13 A-125 )
THR( 13 A-124 )
SER( 13 A-123 )
ALA( 13 A-122 )
GLU( 13 A-121 )
VAL( 13 A-120 )
TYR( 13 A-119 )
TYR( 13 A-118 )
GLU( 13 A-117 )
GLU( 13 A-116 )
ALA( 13 A-115 )
GLU( 13 A-114 )
GLU( 13 A-113 )
PHE( 13 A-112 )
LEU( 13 A-111 )
SER( 13 A-110 )
LYS( 13 A-109 )
GLY( 13 A-108 )
ASP( 13 A-107 )
LEU( 13 A-106 )
VAL( 13 A-105 )
GLN( 13 A-104 )
ALA( 13 A-103 )
CYS( 13 A-102 )
GLU( 13 A-101 )
LYS( 13 A-100 )
TYR( 13 A -99 )
TYR( 13 A -98 )
LYS( 13 A -97 )
ALA( 13 A -96 )
ALA( 13 A -95 )
GLU( 13 A -94 )
GLU( 13 A -93 )
ALA( 13 A -92 )
ILE( 13 A -91 )
LYS( 13 A -90 )
LEU( 13 A -89 )
LEU( 13 A -88 )
VAL( 13 A -87 )
ILE( 13 A -86 )
GLU( 13 A -85 )
ASN( 13 A -84 )
ASN( 13 A -83 )
LEU( 13 A -82 )
LYS( 13 A -81 )
GLU( 13 A -80 )
ILE( 13 A -79 )
THR( 13 A -78 )
ASN( 13 A -77 )
ASN( 13 A -76 )
VAL( 13 A -75 )
LYS( 13 A -74 )
ASN( 13 A -73 )
LYS( 13 A -72 )
GLY( 13 A -71 )
ARG( 13 A -70 )
TRP( 13 A -69 )
LYS( 13 A -68 )
SER( 13 A -67 )
GLU( 13 A -66 )
ASN( 13 A -65 )
LEU( 13 A -64 )
PHE( 13 A -63 )
LYS( 13 A -62 )
ALA( 13 A -61 )
SER( 13 A -60 )
LYS( 13 A -59 )
LEU( 13 A -58 )
LEU( 13 A -57 )
ARG( 13 A -56 )
SER( 13 A -55 )
ASN( 13 A -54 )
ASN( 13 A -53 )
THR( 13 A -52 )
GLU( 13 A -51 )
ILE( 13 A -50 )
PRO( 13 A -49 )
ILE( 13 A -48 )
LEU( 13 A -47 )
TRP( 13 A -46 )
LYS( 13 A -45 )
SER( 13 A -44 )
ALA( 13 A -43 )
TRP( 13 A -42 )
THR( 13 A -41 )
LEU( 13 A -40 )
HIS( 13 A -39 )
VAL( 13 A -38 )
GLU( 13 A -37 )
GLY( 13 A -36 )
PHE( 13 A -35 )
HIS( 13 A -34 )
GLU( 13 A -33 )
LEU( 13 A -32 )
SER( 13 A -31 )
LEU( 13 A -30 )
ASN( 13 A -29 )
GLU( 13 A -28 )
LYS( 13 A -27 )
GLU( 13 A -26 )
VAL( 13 A -25 )
LYS( 13 A -24 )
LYS( 13 A -23 )
LEU( 13 A -22 )
LYS( 13 A -21 )
GLU( 13 A -20 )
ASP( 13 A -19 )
VAL( 13 A -18 )
ARG( 13 A -17 )
LYS( 13 A -16 )
LEU( 13 A -15 )
VAL( 13 A -14 )
ILE( 13 A -13 )
PHE( 13 A -12 )
ALA( 13 A -11 )
VAL( 13 A -10 )
ASN( 13 A -9 )
SER( 13 A -8 )
LEU( 13 A -7 )
GLU( 13 A -6 )
HIS( 13 A -5 )
HIS( 13 A -4 )
HIS( 13 A -3 )
HIS( 13 A -2 )
HIS( 13 A -1 )
HIS( 13 A 0 )
MET( 14 A-128 )
SER( 14 A-127 )
ILE( 14 A-126 )
SER( 14 A-125 )
THR( 14 A-124 )
SER( 14 A-123 )
ALA( 14 A-122 )
GLU( 14 A-121 )
VAL( 14 A-120 )
TYR( 14 A-119 )
TYR( 14 A-118 )
GLU( 14 A-117 )
GLU( 14 A-116 )
ALA( 14 A-115 )
GLU( 14 A-114 )
GLU( 14 A-113 )
PHE( 14 A-112 )
LEU( 14 A-111 )
SER( 14 A-110 )
LYS( 14 A-109 )
GLY( 14 A-108 )
ASP( 14 A-107 )
LEU( 14 A-106 )
VAL( 14 A-105 )
GLN( 14 A-104 )
ALA( 14 A-103 )
CYS( 14 A-102 )
GLU( 14 A-101 )
LYS( 14 A-100 )
TYR( 14 A -99 )
TYR( 14 A -98 )
LYS( 14 A -97 )
ALA( 14 A -96 )
ALA( 14 A -95 )
GLU( 14 A -94 )
GLU( 14 A -93 )
ALA( 14 A -92 )
ILE( 14 A -91 )
LYS( 14 A -90 )
LEU( 14 A -89 )
LEU( 14 A -88 )
VAL( 14 A -87 )
ILE( 14 A -86 )
GLU( 14 A -85 )
ASN( 14 A -84 )
ASN( 14 A -83 )
LEU( 14 A -82 )
LYS( 14 A -81 )
GLU( 14 A -80 )
ILE( 14 A -79 )
THR( 14 A -78 )
ASN( 14 A -77 )
ASN( 14 A -76 )
VAL( 14 A -75 )
LYS( 14 A -74 )
ASN( 14 A -73 )
LYS( 14 A -72 )
GLY( 14 A -71 )
ARG( 14 A -70 )
TRP( 14 A -69 )
LYS( 14 A -68 )
SER( 14 A -67 )
GLU( 14 A -66 )
ASN( 14 A -65 )
LEU( 14 A -64 )
PHE( 14 A -63 )
LYS( 14 A -62 )
ALA( 14 A -61 )
SER( 14 A -60 )
LYS( 14 A -59 )
LEU( 14 A -58 )
LEU( 14 A -57 )
ARG( 14 A -56 )
SER( 14 A -55 )
ASN( 14 A -54 )
ASN( 14 A -53 )
THR( 14 A -52 )
GLU( 14 A -51 )
ILE( 14 A -50 )
PRO( 14 A -49 )
ILE( 14 A -48 )
LEU( 14 A -47 )
TRP( 14 A -46 )
LYS( 14 A -45 )
SER( 14 A -44 )
ALA( 14 A -43 )
TRP( 14 A -42 )
THR( 14 A -41 )
LEU( 14 A -40 )
HIS( 14 A -39 )
VAL( 14 A -38 )
GLU( 14 A -37 )
GLY( 14 A -36 )
PHE( 14 A -35 )
HIS( 14 A -34 )
GLU( 14 A -33 )
LEU( 14 A -32 )
SER( 14 A -31 )
LEU( 14 A -30 )
ASN( 14 A -29 )
GLU( 14 A -28 )
LYS( 14 A -27 )
GLU( 14 A -26 )
VAL( 14 A -25 )
LYS( 14 A -24 )
LYS( 14 A -23 )
LEU( 14 A -22 )
LYS( 14 A -21 )
GLU( 14 A -20 )
ASP( 14 A -19 )
VAL( 14 A -18 )
ARG( 14 A -17 )
LYS( 14 A -16 )
LEU( 14 A -15 )
VAL( 14 A -14 )
ILE( 14 A -13 )
PHE( 14 A -12 )
ALA( 14 A -11 )
VAL( 14 A -10 )
ASN( 14 A -9 )
SER( 14 A -8 )
LEU( 14 A -7 )
GLU( 14 A -6 )
HIS( 14 A -5 )
HIS( 14 A -4 )
HIS( 14 A -3 )
HIS( 14 A -2 )
HIS( 14 A -1 )
HIS( 14 A 0 )
MET( 15 A-128 )
SER( 15 A-127 )
ILE( 15 A-126 )
SER( 15 A-125 )
THR( 15 A-124 )
SER( 15 A-123 )
ALA( 15 A-122 )
GLU( 15 A-121 )
VAL( 15 A-120 )
TYR( 15 A-119 )
TYR( 15 A-118 )
GLU( 15 A-117 )
GLU( 15 A-116 )
ALA( 15 A-115 )
GLU( 15 A-114 )
GLU( 15 A-113 )
PHE( 15 A-112 )
LEU( 15 A-111 )
SER( 15 A-110 )
LYS( 15 A-109 )
GLY( 15 A-108 )
ASP( 15 A-107 )
LEU( 15 A-106 )
VAL( 15 A-105 )
GLN( 15 A-104 )
ALA( 15 A-103 )
CYS( 15 A-102 )
GLU( 15 A-101 )
LYS( 15 A-100 )
TYR( 15 A -99 )
TYR( 15 A -98 )
LYS( 15 A -97 )
ALA( 15 A -96 )
ALA( 15 A -95 )
GLU( 15 A -94 )
GLU( 15 A -93 )
ALA( 15 A -92 )
ILE( 15 A -91 )
LYS( 15 A -90 )
LEU( 15 A -89 )
LEU( 15 A -88 )
VAL( 15 A -87 )
ILE( 15 A -86 )
GLU( 15 A -85 )
ASN( 15 A -84 )
ASN( 15 A -83 )
LEU( 15 A -82 )
LYS( 15 A -81 )
GLU( 15 A -80 )
ILE( 15 A -79 )
THR( 15 A -78 )
ASN( 15 A -77 )
ASN( 15 A -76 )
VAL( 15 A -75 )
LYS( 15 A -74 )
ASN( 15 A -73 )
LYS( 15 A -72 )
GLY( 15 A -71 )
ARG( 15 A -70 )
TRP( 15 A -69 )
LYS( 15 A -68 )
SER( 15 A -67 )
GLU( 15 A -66 )
ASN( 15 A -65 )
LEU( 15 A -64 )
PHE( 15 A -63 )
LYS( 15 A -62 )
ALA( 15 A -61 )
SER( 15 A -60 )
LYS( 15 A -59 )
LEU( 15 A -58 )
LEU( 15 A -57 )
ARG( 15 A -56 )
SER( 15 A -55 )
ASN( 15 A -54 )
ASN( 15 A -53 )
THR( 15 A -52 )
GLU( 15 A -51 )
ILE( 15 A -50 )
PRO( 15 A -49 )
ILE( 15 A -48 )
LEU( 15 A -47 )
TRP( 15 A -46 )
LYS( 15 A -45 )
SER( 15 A -44 )
ALA( 15 A -43 )
TRP( 15 A -42 )
THR( 15 A -41 )
LEU( 15 A -40 )
HIS( 15 A -39 )
VAL( 15 A -38 )
GLU( 15 A -37 )
GLY( 15 A -36 )
PHE( 15 A -35 )
HIS( 15 A -34 )
GLU( 15 A -33 )
LEU( 15 A -32 )
SER( 15 A -31 )
LEU( 15 A -30 )
ASN( 15 A -29 )
GLU( 15 A -28 )
LYS( 15 A -27 )
GLU( 15 A -26 )
VAL( 15 A -25 )
LYS( 15 A -24 )
LYS( 15 A -23 )
LEU( 15 A -22 )
LYS( 15 A -21 )
GLU( 15 A -20 )
ASP( 15 A -19 )
VAL( 15 A -18 )
ARG( 15 A -17 )
LYS( 15 A -16 )
LEU( 15 A -15 )
VAL( 15 A -14 )
ILE( 15 A -13 )
PHE( 15 A -12 )
ALA( 15 A -11 )
VAL( 15 A -10 )
ASN( 15 A -9 )
SER( 15 A -8 )
LEU( 15 A -7 )
GLU( 15 A -6 )
HIS( 15 A -5 )
HIS( 15 A -4 )
HIS( 15 A -3 )
HIS( 15 A -2 )
HIS( 15 A -1 )
HIS( 15 A 0 )
MET( 16 A-128 )
SER( 16 A-127 )
ILE( 16 A-126 )
SER( 16 A-125 )
THR( 16 A-124 )
SER( 16 A-123 )
ALA( 16 A-122 )
GLU( 16 A-121 )
VAL( 16 A-120 )
TYR( 16 A-119 )
TYR( 16 A-118 )
GLU( 16 A-117 )
GLU( 16 A-116 )
ALA( 16 A-115 )
GLU( 16 A-114 )
GLU( 16 A-113 )
PHE( 16 A-112 )
LEU( 16 A-111 )
SER( 16 A-110 )
LYS( 16 A-109 )
GLY( 16 A-108 )
ASP( 16 A-107 )
LEU( 16 A-106 )
VAL( 16 A-105 )
GLN( 16 A-104 )
ALA( 16 A-103 )
CYS( 16 A-102 )
GLU( 16 A-101 )
LYS( 16 A-100 )
TYR( 16 A -99 )
TYR( 16 A -98 )
LYS( 16 A -97 )
ALA( 16 A -96 )
ALA( 16 A -95 )
GLU( 16 A -94 )
GLU( 16 A -93 )
ALA( 16 A -92 )
ILE( 16 A -91 )
LYS( 16 A -90 )
LEU( 16 A -89 )
LEU( 16 A -88 )
VAL( 16 A -87 )
ILE( 16 A -86 )
GLU( 16 A -85 )
ASN( 16 A -84 )
ASN( 16 A -83 )
LEU( 16 A -82 )
LYS( 16 A -81 )
GLU( 16 A -80 )
ILE( 16 A -79 )
THR( 16 A -78 )
ASN( 16 A -77 )
ASN( 16 A -76 )
VAL( 16 A -75 )
LYS( 16 A -74 )
ASN( 16 A -73 )
LYS( 16 A -72 )
GLY( 16 A -71 )
ARG( 16 A -70 )
TRP( 16 A -69 )
LYS( 16 A -68 )
SER( 16 A -67 )
GLU( 16 A -66 )
ASN( 16 A -65 )
LEU( 16 A -64 )
PHE( 16 A -63 )
LYS( 16 A -62 )
ALA( 16 A -61 )
SER( 16 A -60 )
LYS( 16 A -59 )
LEU( 16 A -58 )
LEU( 16 A -57 )
ARG( 16 A -56 )
SER( 16 A -55 )
ASN( 16 A -54 )
ASN( 16 A -53 )
THR( 16 A -52 )
GLU( 16 A -51 )
ILE( 16 A -50 )
PRO( 16 A -49 )
ILE( 16 A -48 )
LEU( 16 A -47 )
TRP( 16 A -46 )
LYS( 16 A -45 )
SER( 16 A -44 )
ALA( 16 A -43 )
TRP( 16 A -42 )
THR( 16 A -41 )
LEU( 16 A -40 )
HIS( 16 A -39 )
VAL( 16 A -38 )
GLU( 16 A -37 )
GLY( 16 A -36 )
PHE( 16 A -35 )
HIS( 16 A -34 )
GLU( 16 A -33 )
LEU( 16 A -32 )
SER( 16 A -31 )
LEU( 16 A -30 )
ASN( 16 A -29 )
GLU( 16 A -28 )
LYS( 16 A -27 )
GLU( 16 A -26 )
VAL( 16 A -25 )
LYS( 16 A -24 )
LYS( 16 A -23 )
LEU( 16 A -22 )
LYS( 16 A -21 )
GLU( 16 A -20 )
ASP( 16 A -19 )
VAL( 16 A -18 )
ARG( 16 A -17 )
LYS( 16 A -16 )
LEU( 16 A -15 )
VAL( 16 A -14 )
ILE( 16 A -13 )
PHE( 16 A -12 )
ALA( 16 A -11 )
VAL( 16 A -10 )
ASN( 16 A -9 )
SER( 16 A -8 )
LEU( 16 A -7 )
GLU( 16 A -6 )
HIS( 16 A -5 )
HIS( 16 A -4 )
HIS( 16 A -3 )
HIS( 16 A -2 )
HIS( 16 A -1 )
HIS( 16 A 0 )
MET( 17 A-128 )
SER( 17 A-127 )
ILE( 17 A-126 )
SER( 17 A-125 )
THR( 17 A-124 )
SER( 17 A-123 )
ALA( 17 A-122 )
GLU( 17 A-121 )
VAL( 17 A-120 )
TYR( 17 A-119 )
TYR( 17 A-118 )
GLU( 17 A-117 )
GLU( 17 A-116 )
ALA( 17 A-115 )
GLU( 17 A-114 )
GLU( 17 A-113 )
PHE( 17 A-112 )
LEU( 17 A-111 )
SER( 17 A-110 )
LYS( 17 A-109 )
GLY( 17 A-108 )
ASP( 17 A-107 )
LEU( 17 A-106 )
VAL( 17 A-105 )
GLN( 17 A-104 )
ALA( 17 A-103 )
CYS( 17 A-102 )
GLU( 17 A-101 )
LYS( 17 A-100 )
TYR( 17 A -99 )
TYR( 17 A -98 )
LYS( 17 A -97 )
ALA( 17 A -96 )
ALA( 17 A -95 )
GLU( 17 A -94 )
GLU( 17 A -93 )
ALA( 17 A -92 )
ILE( 17 A -91 )
LYS( 17 A -90 )
LEU( 17 A -89 )
LEU( 17 A -88 )
VAL( 17 A -87 )
ILE( 17 A -86 )
GLU( 17 A -85 )
ASN( 17 A -84 )
ASN( 17 A -83 )
LEU( 17 A -82 )
LYS( 17 A -81 )
GLU( 17 A -80 )
ILE( 17 A -79 )
THR( 17 A -78 )
ASN( 17 A -77 )
ASN( 17 A -76 )
VAL( 17 A -75 )
LYS( 17 A -74 )
ASN( 17 A -73 )
LYS( 17 A -72 )
GLY( 17 A -71 )
ARG( 17 A -70 )
TRP( 17 A -69 )
LYS( 17 A -68 )
SER( 17 A -67 )
GLU( 17 A -66 )
ASN( 17 A -65 )
LEU( 17 A -64 )
PHE( 17 A -63 )
LYS( 17 A -62 )
ALA( 17 A -61 )
SER( 17 A -60 )
LYS( 17 A -59 )
LEU( 17 A -58 )
LEU( 17 A -57 )
ARG( 17 A -56 )
SER( 17 A -55 )
ASN( 17 A -54 )
ASN( 17 A -53 )
THR( 17 A -52 )
GLU( 17 A -51 )
ILE( 17 A -50 )
PRO( 17 A -49 )
ILE( 17 A -48 )
LEU( 17 A -47 )
TRP( 17 A -46 )
LYS( 17 A -45 )
SER( 17 A -44 )
ALA( 17 A -43 )
TRP( 17 A -42 )
THR( 17 A -41 )
LEU( 17 A -40 )
HIS( 17 A -39 )
VAL( 17 A -38 )
GLU( 17 A -37 )
GLY( 17 A -36 )
PHE( 17 A -35 )
HIS( 17 A -34 )
GLU( 17 A -33 )
LEU( 17 A -32 )
SER( 17 A -31 )
LEU( 17 A -30 )
ASN( 17 A -29 )
GLU( 17 A -28 )
LYS( 17 A -27 )
GLU( 17 A -26 )
VAL( 17 A -25 )
LYS( 17 A -24 )
LYS( 17 A -23 )
LEU( 17 A -22 )
LYS( 17 A -21 )
GLU( 17 A -20 )
ASP( 17 A -19 )
VAL( 17 A -18 )
ARG( 17 A -17 )
LYS( 17 A -16 )
LEU( 17 A -15 )
VAL( 17 A -14 )
ILE( 17 A -13 )
PHE( 17 A -12 )
ALA( 17 A -11 )
VAL( 17 A -10 )
ASN( 17 A -9 )
SER( 17 A -8 )
LEU( 17 A -7 )
GLU( 17 A -6 )
HIS( 17 A -5 )
HIS( 17 A -4 )
HIS( 17 A -3 )
HIS( 17 A -2 )
HIS( 17 A -1 )
HIS( 17 A 0 )
MET( 18 A-128 )
SER( 18 A-127 )
ILE( 18 A-126 )
SER( 18 A-125 )
THR( 18 A-124 )
SER( 18 A-123 )
ALA( 18 A-122 )
GLU( 18 A-121 )
VAL( 18 A-120 )
TYR( 18 A-119 )
TYR( 18 A-118 )
GLU( 18 A-117 )
GLU( 18 A-116 )
ALA( 18 A-115 )
GLU( 18 A-114 )
GLU( 18 A-113 )
PHE( 18 A-112 )
LEU( 18 A-111 )
SER( 18 A-110 )
LYS( 18 A-109 )
GLY( 18 A-108 )
ASP( 18 A-107 )
LEU( 18 A-106 )
VAL( 18 A-105 )
GLN( 18 A-104 )
ALA( 18 A-103 )
CYS( 18 A-102 )
GLU( 18 A-101 )
LYS( 18 A-100 )
TYR( 18 A -99 )
TYR( 18 A -98 )
LYS( 18 A -97 )
ALA( 18 A -96 )
ALA( 18 A -95 )
GLU( 18 A -94 )
GLU( 18 A -93 )
ALA( 18 A -92 )
ILE( 18 A -91 )
LYS( 18 A -90 )
LEU( 18 A -89 )
LEU( 18 A -88 )
VAL( 18 A -87 )
ILE( 18 A -86 )
GLU( 18 A -85 )
ASN( 18 A -84 )
ASN( 18 A -83 )
LEU( 18 A -82 )
LYS( 18 A -81 )
GLU( 18 A -80 )
ILE( 18 A -79 )
THR( 18 A -78 )
ASN( 18 A -77 )
ASN( 18 A -76 )
VAL( 18 A -75 )
LYS( 18 A -74 )
ASN( 18 A -73 )
LYS( 18 A -72 )
GLY( 18 A -71 )
ARG( 18 A -70 )
TRP( 18 A -69 )
LYS( 18 A -68 )
SER( 18 A -67 )
GLU( 18 A -66 )
ASN( 18 A -65 )
LEU( 18 A -64 )
PHE( 18 A -63 )
LYS( 18 A -62 )
ALA( 18 A -61 )
SER( 18 A -60 )
LYS( 18 A -59 )
LEU( 18 A -58 )
LEU( 18 A -57 )
ARG( 18 A -56 )
SER( 18 A -55 )
ASN( 18 A -54 )
ASN( 18 A -53 )
THR( 18 A -52 )
GLU( 18 A -51 )
ILE( 18 A -50 )
PRO( 18 A -49 )
ILE( 18 A -48 )
LEU( 18 A -47 )
TRP( 18 A -46 )
LYS( 18 A -45 )
SER( 18 A -44 )
ALA( 18 A -43 )
TRP( 18 A -42 )
THR( 18 A -41 )
LEU( 18 A -40 )
HIS( 18 A -39 )
VAL( 18 A -38 )
GLU( 18 A -37 )
GLY( 18 A -36 )
PHE( 18 A -35 )
HIS( 18 A -34 )
GLU( 18 A -33 )
LEU( 18 A -32 )
SER( 18 A -31 )
LEU( 18 A -30 )
ASN( 18 A -29 )
GLU( 18 A -28 )
LYS( 18 A -27 )
GLU( 18 A -26 )
VAL( 18 A -25 )
LYS( 18 A -24 )
LYS( 18 A -23 )
LEU( 18 A -22 )
LYS( 18 A -21 )
GLU( 18 A -20 )
ASP( 18 A -19 )
VAL( 18 A -18 )
ARG( 18 A -17 )
LYS( 18 A -16 )
LEU( 18 A -15 )
VAL( 18 A -14 )
ILE( 18 A -13 )
PHE( 18 A -12 )
ALA( 18 A -11 )
VAL( 18 A -10 )
ASN( 18 A -9 )
SER( 18 A -8 )
LEU( 18 A -7 )
GLU( 18 A -6 )
HIS( 18 A -5 )
HIS( 18 A -4 )
HIS( 18 A -3 )
HIS( 18 A -2 )
HIS( 18 A -1 )
HIS( 18 A 0 )
MET( 19 A-128 )
SER( 19 A-127 )
ILE( 19 A-126 )
SER( 19 A-125 )
THR( 19 A-124 )
SER( 19 A-123 )
ALA( 19 A-122 )
GLU( 19 A-121 )
VAL( 19 A-120 )
TYR( 19 A-119 )
TYR( 19 A-118 )
GLU( 19 A-117 )
GLU( 19 A-116 )
ALA( 19 A-115 )
GLU( 19 A-114 )
GLU( 19 A-113 )
PHE( 19 A-112 )
LEU( 19 A-111 )
SER( 19 A-110 )
LYS( 19 A-109 )
GLY( 19 A-108 )
ASP( 19 A-107 )
LEU( 19 A-106 )
VAL( 19 A-105 )
GLN( 19 A-104 )
ALA( 19 A-103 )
CYS( 19 A-102 )
GLU( 19 A-101 )
LYS( 19 A-100 )
TYR( 19 A -99 )
TYR( 19 A -98 )
LYS( 19 A -97 )
ALA( 19 A -96 )
ALA( 19 A -95 )
GLU( 19 A -94 )
GLU( 19 A -93 )
ALA( 19 A -92 )
ILE( 19 A -91 )
LYS( 19 A -90 )
LEU( 19 A -89 )
LEU( 19 A -88 )
VAL( 19 A -87 )
ILE( 19 A -86 )
GLU( 19 A -85 )
ASN( 19 A -84 )
ASN( 19 A -83 )
LEU( 19 A -82 )
LYS( 19 A -81 )
GLU( 19 A -80 )
ILE( 19 A -79 )
THR( 19 A -78 )
ASN( 19 A -77 )
ASN( 19 A -76 )
VAL( 19 A -75 )
LYS( 19 A -74 )
ASN( 19 A -73 )
LYS( 19 A -72 )
GLY( 19 A -71 )
ARG( 19 A -70 )
TRP( 19 A -69 )
LYS( 19 A -68 )
SER( 19 A -67 )
GLU( 19 A -66 )
ASN( 19 A -65 )
LEU( 19 A -64 )
PHE( 19 A -63 )
LYS( 19 A -62 )
ALA( 19 A -61 )
SER( 19 A -60 )
LYS( 19 A -59 )
LEU( 19 A -58 )
LEU( 19 A -57 )
ARG( 19 A -56 )
SER( 19 A -55 )
ASN( 19 A -54 )
ASN( 19 A -53 )
THR( 19 A -52 )
GLU( 19 A -51 )
ILE( 19 A -50 )
PRO( 19 A -49 )
ILE( 19 A -48 )
LEU( 19 A -47 )
TRP( 19 A -46 )
LYS( 19 A -45 )
SER( 19 A -44 )
ALA( 19 A -43 )
TRP( 19 A -42 )
THR( 19 A -41 )
LEU( 19 A -40 )
HIS( 19 A -39 )
VAL( 19 A -38 )
GLU( 19 A -37 )
GLY( 19 A -36 )
PHE( 19 A -35 )
HIS( 19 A -34 )
GLU( 19 A -33 )
LEU( 19 A -32 )
SER( 19 A -31 )
LEU( 19 A -30 )
ASN( 19 A -29 )
GLU( 19 A -28 )
LYS( 19 A -27 )
GLU( 19 A -26 )
VAL( 19 A -25 )
LYS( 19 A -24 )
LYS( 19 A -23 )
LEU( 19 A -22 )
LYS( 19 A -21 )
GLU( 19 A -20 )
ASP( 19 A -19 )
VAL( 19 A -18 )
ARG( 19 A -17 )
LYS( 19 A -16 )
LEU( 19 A -15 )
VAL( 19 A -14 )
ILE( 19 A -13 )
PHE( 19 A -12 )
ALA( 19 A -11 )
VAL( 19 A -10 )
ASN( 19 A -9 )
SER( 19 A -8 )
LEU( 19 A -7 )
GLU( 19 A -6 )
HIS( 19 A -5 )
HIS( 19 A -4 )
HIS( 19 A -3 )
HIS( 19 A -2 )
HIS( 19 A -1 )
HIS( 19 A 0 )
MET( 20 A-128 )
SER( 20 A-127 )
ILE( 20 A-126 )
SER( 20 A-125 )
THR( 20 A-124 )
SER( 20 A-123 )
ALA( 20 A-122 )
GLU( 20 A-121 )
VAL( 20 A-120 )
TYR( 20 A-119 )
TYR( 20 A-118 )
GLU( 20 A-117 )
GLU( 20 A-116 )
ALA( 20 A-115 )
GLU( 20 A-114 )
GLU( 20 A-113 )
PHE( 20 A-112 )
LEU( 20 A-111 )
SER( 20 A-110 )
LYS( 20 A-109 )
GLY( 20 A-108 )
ASP( 20 A-107 )
LEU( 20 A-106 )
VAL( 20 A-105 )
GLN( 20 A-104 )
ALA( 20 A-103 )
CYS( 20 A-102 )
GLU( 20 A-101 )
LYS( 20 A-100 )
TYR( 20 A -99 )
TYR( 20 A -98 )
LYS( 20 A -97 )
ALA( 20 A -96 )
ALA( 20 A -95 )
GLU( 20 A -94 )
GLU( 20 A -93 )
ALA( 20 A -92 )
ILE( 20 A -91 )
LYS( 20 A -90 )
LEU( 20 A -89 )
LEU( 20 A -88 )
VAL( 20 A -87 )
ILE( 20 A -86 )
GLU( 20 A -85 )
ASN( 20 A -84 )
ASN( 20 A -83 )
LEU( 20 A -82 )
LYS( 20 A -81 )
GLU( 20 A -80 )
ILE( 20 A -79 )
THR( 20 A -78 )
ASN( 20 A -77 )
ASN( 20 A -76 )
VAL( 20 A -75 )
LYS( 20 A -74 )
ASN( 20 A -73 )
LYS( 20 A -72 )
GLY( 20 A -71 )
ARG( 20 A -70 )
TRP( 20 A -69 )
LYS( 20 A -68 )
SER( 20 A -67 )
GLU( 20 A -66 )
ASN( 20 A -65 )
LEU( 20 A -64 )
PHE( 20 A -63 )
LYS( 20 A -62 )
ALA( 20 A -61 )
SER( 20 A -60 )
LYS( 20 A -59 )
LEU( 20 A -58 )
LEU( 20 A -57 )
ARG( 20 A -56 )
SER( 20 A -55 )
ASN( 20 A -54 )
ASN( 20 A -53 )
THR( 20 A -52 )
GLU( 20 A -51 )
ILE( 20 A -50 )
PRO( 20 A -49 )
ILE( 20 A -48 )
LEU( 20 A -47 )
TRP( 20 A -46 )
LYS( 20 A -45 )
SER( 20 A -44 )
ALA( 20 A -43 )
TRP( 20 A -42 )
THR( 20 A -41 )
LEU( 20 A -40 )
HIS( 20 A -39 )
VAL( 20 A -38 )
GLU( 20 A -37 )
GLY( 20 A -36 )
PHE( 20 A -35 )
HIS( 20 A -34 )
GLU( 20 A -33 )
LEU( 20 A -32 )
SER( 20 A -31 )
LEU( 20 A -30 )
ASN( 20 A -29 )
GLU( 20 A -28 )
LYS( 20 A -27 )
GLU( 20 A -26 )
VAL( 20 A -25 )
LYS( 20 A -24 )
LYS( 20 A -23 )
LEU( 20 A -22 )
LYS( 20 A -21 )
GLU( 20 A -20 )
ASP( 20 A -19 )
VAL( 20 A -18 )
ARG( 20 A -17 )
LYS( 20 A -16 )
LEU( 20 A -15 )
VAL( 20 A -14 )
ILE( 20 A -13 )
PHE( 20 A -12 )
ALA( 20 A -11 )
VAL( 20 A -10 )
ASN( 20 A -9 )
SER( 20 A -8 )
LEU( 20 A -7 )
GLU( 20 A -6 )
HIS( 20 A -5 )
HIS( 20 A -4 )
HIS( 20 A -3 )
HIS( 20 A -2 )
HIS( 20 A -1 )
HIS( 20 A 0 )
PDB Chain_ID: A
1 15
SEQRES: MET SER ILE SER THR SER ALA GLU VAL TYR TYR GLU GLU ALA GLU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: GLU PHE LEU SER LYS GLY ASP LEU VAL GLN ALA CYS GLU LYS TYR
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: TYR LYS ALA ALA GLU GLU ALA ILE LYS LEU LEU VAL ILE GLU ASN
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: ASN LEU LYS GLU ILE THR ASN ASN VAL LYS ASN LYS GLY ARG TRP
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: LYS SER GLU ASN LEU PHE LYS ALA SER LYS LEU LEU ARG SER ASN
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: ASN THR GLU ILE PRO ILE LEU TRP LYS SER ALA TRP THR LEU HIS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: VAL GLU GLY PHE HIS GLU LEU SER LEU ASN GLU LYS GLU VAL LYS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
106 120
SEQRES: LYS LEU LYS GLU ASP VAL ARG LYS LEU VAL ILE PHE ALA VAL ASN
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
121 135
SEQRES: SER LEU GLU HIS HIS HIS HIS HIS HIS MET SER ILE SER THR SER
COORDS: ... ... ... ... ... ... ... ... ... MET SER ILE SER THR SER
1 6
136 150
SEQRES: ALA GLU VAL TYR TYR GLU GLU ALA GLU GLU PHE LEU SER LYS GLY
COORDS: ALA GLU VAL TYR TYR GLU GLU ALA GLU GLU PHE LEU SER LYS GLY
7 21
151 165
SEQRES: ASP LEU VAL GLN ALA CYS GLU LYS TYR TYR LYS ALA ALA GLU GLU
COORDS: ASP LEU VAL GLN ALA CYS GLU LYS TYR TYR LYS ALA ALA GLU GLU
22 36
166 180
SEQRES: ALA ILE LYS LEU LEU VAL ILE GLU ASN ASN LEU LYS GLU ILE THR
COORDS: ALA ILE LYS LEU LEU VAL ILE GLU ASN ASN LEU LYS GLU ILE THR
37 51
181 195
SEQRES: ASN ASN VAL LYS ASN LYS GLY ARG TRP LYS SER GLU ASN LEU PHE
COORDS: ASN ASN VAL LYS ASN LYS GLY ARG TRP LYS SER GLU ASN LEU PHE
52 66
196 210
SEQRES: LYS ALA SER LYS LEU LEU ARG SER ASN ASN THR GLU ILE PRO ILE
COORDS: LYS ALA SER LYS LEU LEU ARG SER ASN ASN THR GLU ILE PRO ILE
67 81
211 225
SEQRES: LEU TRP LYS SER ALA TRP THR LEU HIS VAL GLU GLY PHE HIS GLU
COORDS: LEU TRP LYS SER ALA TRP THR LEU HIS VAL GLU GLY PHE HIS GLU
82 96
226 240
SEQRES: LEU SER LEU ASN GLU LYS GLU VAL LYS LYS LEU LYS GLU ASP VAL
COORDS: LEU SER LEU ASN GLU LYS GLU VAL LYS LYS LEU LYS GLU ASP VAL
97 111
241 255
SEQRES: ARG LYS LEU VAL ILE PHE ALA VAL ASN SER LEU GLU HIS HIS HIS
COORDS: ARG LYS LEU VAL ILE PHE ALA VAL ASN SER LEU GLU HIS HIS HIS
112 126
256 258
SEQRES: HIS HIS HIS
COORDS: HIS HIS HIS
127 129
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 8) HE2
GLU( 1 A 12) HE2
GLU( 1 A 13) HE2
GLU( 1 A 15) HE2
GLU( 1 A 16) HE2
ASP( 1 A 22) HD2
GLU( 1 A 28) HE2
GLU( 1 A 35) HE2
GLU( 1 A 36) HE2
GLU( 1 A 44) HE2
GLU( 1 A 49) HE2
GLU( 1 A 63) HE2
GLU( 1 A 78) HE2
HIS( 1 A 90) HD1
GLU( 1 A 92) HE2
HIS( 1 A 95) HE2
GLU( 1 A 96) HE2
GLU( 1 A 101) HE2
GLU( 1 A 103) HE2
GLU( 1 A 109) HE2
ASP( 1 A 110) HD2
GLU( 1 A 123) HE2
HIS( 1 A 124) HD1
HIS( 1 A 125) HE2
HIS( 1 A 126) HE2
HIS( 1 A 127) HE2
HIS( 1 A 128) HD1
HIS( 1 A 129) HE2
GLU( 2 A 8) HE2
GLU( 2 A 12) HE2
GLU( 2 A 13) HE2
GLU( 2 A 15) HE2
GLU( 2 A 16) HE2
ASP( 2 A 22) HD2
GLU( 2 A 28) HE2
GLU( 2 A 35) HE2
GLU( 2 A 36) HE2
GLU( 2 A 44) HE2
GLU( 2 A 49) HE2
GLU( 2 A 63) HE2
GLU( 2 A 78) HE2
HIS( 2 A 90) HD1
GLU( 2 A 92) HE2
HIS( 2 A 95) HD1
GLU( 2 A 96) HE2
GLU( 2 A 101) HE2
GLU( 2 A 103) HE2
GLU( 2 A 109) HE2
ASP( 2 A 110) HD2
GLU( 2 A 123) HE2
HIS( 2 A 124) HD1
HIS( 2 A 125) HD1
HIS( 2 A 126) HE2
HIS( 2 A 127) HD1
HIS( 2 A 128) HD1
HIS( 2 A 129) HE2
GLU( 3 A 8) HE2
GLU( 3 A 12) HE2
GLU( 3 A 13) HE2
GLU( 3 A 15) HE2
GLU( 3 A 16) HE2
ASP( 3 A 22) HD2
GLU( 3 A 28) HE2
GLU( 3 A 35) HE2
GLU( 3 A 36) HE2
GLU( 3 A 44) HE2
GLU( 3 A 49) HE2
GLU( 3 A 63) HE2
GLU( 3 A 78) HE2
HIS( 3 A 90) HD1
GLU( 3 A 92) HE2
HIS( 3 A 95) HD1
GLU( 3 A 96) HE2
GLU( 3 A 101) HE2
GLU( 3 A 103) HE2
GLU( 3 A 109) HE2
ASP( 3 A 110) HD2
GLU( 3 A 123) HE2
HIS( 3 A 124) HE2
HIS( 3 A 125) HD1
HIS( 3 A 126) HE2
HIS( 3 A 127) HD1
HIS( 3 A 128) HD1
HIS( 3 A 129) HD1
GLU( 4 A 8) HE2
GLU( 4 A 12) HE2
GLU( 4 A 13) HE2
GLU( 4 A 15) HE2
GLU( 4 A 16) HE2
ASP( 4 A 22) HD2
GLU( 4 A 28) HE2
GLU( 4 A 35) HE2
GLU( 4 A 36) HE2
GLU( 4 A 44) HE2
GLU( 4 A 49) HE2
GLU( 4 A 63) HE2
GLU( 4 A 78) HE2
HIS( 4 A 90) HD1
GLU( 4 A 92) HE2
HIS( 4 A 95) HE2
GLU( 4 A 96) HE2
GLU( 4 A 101) HE2
GLU( 4 A 103) HE2
GLU( 4 A 109) HE2
ASP( 4 A 110) HD2
GLU( 4 A 123) HE2
HIS( 4 A 124) HD1
HIS( 4 A 125) HE2
HIS( 4 A 126) HD1
HIS( 4 A 127) HE2
HIS( 4 A 128) HE2
HIS( 4 A 129) HE2
GLU( 5 A 8) HE2
GLU( 5 A 12) HE2
GLU( 5 A 13) HE2
GLU( 5 A 15) HE2
GLU( 5 A 16) HE2
ASP( 5 A 22) HD2
GLU( 5 A 28) HE2
GLU( 5 A 35) HE2
GLU( 5 A 36) HE2
GLU( 5 A 44) HE2
GLU( 5 A 49) HE2
GLU( 5 A 63) HE2
GLU( 5 A 78) HE2
HIS( 5 A 90) HE2
GLU( 5 A 92) HE2
HIS( 5 A 95) HD1
GLU( 5 A 96) HE2
GLU( 5 A 101) HE2
GLU( 5 A 103) HE2
GLU( 5 A 109) HE2
ASP( 5 A 110) HD2
GLU( 5 A 123) HE2
HIS( 5 A 124) HE2
HIS( 5 A 125) HE2
HIS( 5 A 126) HE2
HIS( 5 A 127) HE2
HIS( 5 A 128) HE2
HIS( 5 A 129) HE2
GLU( 6 A 8) HE2
GLU( 6 A 12) HE2
GLU( 6 A 13) HE2
GLU( 6 A 15) HE2
GLU( 6 A 16) HE2
ASP( 6 A 22) HD2
GLU( 6 A 28) HE2
GLU( 6 A 35) HE2
GLU( 6 A 36) HE2
GLU( 6 A 44) HE2
GLU( 6 A 49) HE2
GLU( 6 A 63) HE2
GLU( 6 A 78) HE2
HIS( 6 A 90) HD1
GLU( 6 A 92) HE2
HIS( 6 A 95) HD1
GLU( 6 A 96) HE2
GLU( 6 A 101) HE2
GLU( 6 A 103) HE2
GLU( 6 A 109) HE2
ASP( 6 A 110) HD2
GLU( 6 A 123) HE2
HIS( 6 A 124) HD1
HIS( 6 A 125) HD1
HIS( 6 A 126) HD1
HIS( 6 A 127) HD1
HIS( 6 A 128) HE2
HIS( 6 A 129) HD1
GLU( 7 A 8) HE2
GLU( 7 A 12) HE2
GLU( 7 A 13) HE2
GLU( 7 A 15) HE2
GLU( 7 A 16) HE2
ASP( 7 A 22) HD2
GLU( 7 A 28) HE2
GLU( 7 A 35) HE2
GLU( 7 A 36) HE2
GLU( 7 A 44) HE2
GLU( 7 A 49) HE2
GLU( 7 A 63) HE2
GLU( 7 A 78) HE2
HIS( 7 A 90) HD1
GLU( 7 A 92) HE2
HIS( 7 A 95) HE2
GLU( 7 A 96) HE2
GLU( 7 A 101) HE2
GLU( 7 A 103) HE2
GLU( 7 A 109) HE2
ASP( 7 A 110) HD2
GLU( 7 A 123) HE2
HIS( 7 A 124) HE2
HIS( 7 A 125) HD1
HIS( 7 A 126) HE2
HIS( 7 A 127) HD1
HIS( 7 A 128) HE2
HIS( 7 A 129) HE2
GLU( 8 A 8) HE2
GLU( 8 A 12) HE2
GLU( 8 A 13) HE2
GLU( 8 A 15) HE2
GLU( 8 A 16) HE2
ASP( 8 A 22) HD2
GLU( 8 A 28) HE2
GLU( 8 A 35) HE2
GLU( 8 A 36) HE2
GLU( 8 A 44) HE2
GLU( 8 A 49) HE2
GLU( 8 A 63) HE2
GLU( 8 A 78) HE2
HIS( 8 A 90) HD1
GLU( 8 A 92) HE2
HIS( 8 A 95) HE2
GLU( 8 A 96) HE2
GLU( 8 A 101) HE2
GLU( 8 A 103) HE2
GLU( 8 A 109) HE2
ASP( 8 A 110) HD2
GLU( 8 A 123) HE2
HIS( 8 A 124) HE2
HIS( 8 A 125) HD1
HIS( 8 A 126) HE2
HIS( 8 A 127) HD1
HIS( 8 A 128) HE2
HIS( 8 A 129) HD1
GLU( 9 A 8) HE2
GLU( 9 A 12) HE2
GLU( 9 A 13) HE2
GLU( 9 A 15) HE2
GLU( 9 A 16) HE2
ASP( 9 A 22) HD2
GLU( 9 A 28) HE2
GLU( 9 A 35) HE2
GLU( 9 A 36) HE2
GLU( 9 A 44) HE2
GLU( 9 A 49) HE2
GLU( 9 A 63) HE2
GLU( 9 A 78) HE2
HIS( 9 A 90) HD1
GLU( 9 A 92) HE2
HIS( 9 A 95) HE2
GLU( 9 A 96) HE2
GLU( 9 A 101) HE2
GLU( 9 A 103) HE2
GLU( 9 A 109) HE2
ASP( 9 A 110) HD2
GLU( 9 A 123) HE2
HIS( 9 A 124) HD1
HIS( 9 A 125) HD1
HIS( 9 A 126) HD1
HIS( 9 A 127) HE2
HIS( 9 A 128) HE2
HIS( 9 A 129) HE2
GLU( 10 A 8) HE2
GLU( 10 A 12) HE2
GLU( 10 A 13) HE2
GLU( 10 A 15) HE2
GLU( 10 A 16) HE2
ASP( 10 A 22) HD2
GLU( 10 A 28) HE2
GLU( 10 A 35) HE2
GLU( 10 A 36) HE2
GLU( 10 A 44) HE2
GLU( 10 A 49) HE2
GLU( 10 A 63) HE2
GLU( 10 A 78) HE2
HIS( 10 A 90) HE2
GLU( 10 A 92) HE2
HIS( 10 A 95) HE2
GLU( 10 A 96) HE2
GLU( 10 A 101) HE2
GLU( 10 A 103) HE2
GLU( 10 A 109) HE2
ASP( 10 A 110) HD2
GLU( 10 A 123) HE2
HIS( 10 A 124) HD1
HIS( 10 A 125) HE2
HIS( 10 A 126) HD1
HIS( 10 A 127) HE2
HIS( 10 A 128) HD1
HIS( 10 A 129) HD1
GLU( 11 A 8) HE2
GLU( 11 A 12) HE2
GLU( 11 A 13) HE2
GLU( 11 A 15) HE2
GLU( 11 A 16) HE2
ASP( 11 A 22) HD2
GLU( 11 A 28) HE2
GLU( 11 A 35) HE2
GLU( 11 A 36) HE2
GLU( 11 A 44) HE2
GLU( 11 A 49) HE2
GLU( 11 A 63) HE2
GLU( 11 A 78) HE2
HIS( 11 A 90) HE2
GLU( 11 A 92) HE2
HIS( 11 A 95) HD1
GLU( 11 A 96) HE2
GLU( 11 A 101) HE2
GLU( 11 A 103) HE2
GLU( 11 A 109) HE2
ASP( 11 A 110) HD2
GLU( 11 A 123) HE2
HIS( 11 A 124) HE2
HIS( 11 A 125) HD1
HIS( 11 A 126) HE2
HIS( 11 A 127) HD1
HIS( 11 A 128) HD1
HIS( 11 A 129) HE2
GLU( 12 A 8) HE2
GLU( 12 A 12) HE2
GLU( 12 A 13) HE2
GLU( 12 A 15) HE2
GLU( 12 A 16) HE2
ASP( 12 A 22) HD2
GLU( 12 A 28) HE2
GLU( 12 A 35) HE2
GLU( 12 A 36) HE2
GLU( 12 A 44) HE2
GLU( 12 A 49) HE2
GLU( 12 A 63) HE2
GLU( 12 A 78) HE2
HIS( 12 A 90) HD1
GLU( 12 A 92) HE2
HIS( 12 A 95) HD1
GLU( 12 A 96) HE2
GLU( 12 A 101) HE2
GLU( 12 A 103) HE2
GLU( 12 A 109) HE2
ASP( 12 A 110) HD2
GLU( 12 A 123) HE2
HIS( 12 A 124) HD1
HIS( 12 A 125) HD1
HIS( 12 A 126) HD1
HIS( 12 A 127) HD1
HIS( 12 A 128) HE2
HIS( 12 A 129) HD1
GLU( 13 A 8) HE2
GLU( 13 A 12) HE2
GLU( 13 A 13) HE2
GLU( 13 A 15) HE2
GLU( 13 A 16) HE2
ASP( 13 A 22) HD2
GLU( 13 A 28) HE2
GLU( 13 A 35) HE2
GLU( 13 A 36) HE2
GLU( 13 A 44) HE2
GLU( 13 A 49) HE2
GLU( 13 A 63) HE2
GLU( 13 A 78) HE2
HIS( 13 A 90) HE2
GLU( 13 A 92) HE2
HIS( 13 A 95) HD1
GLU( 13 A 96) HE2
GLU( 13 A 101) HE2
GLU( 13 A 103) HE2
GLU( 13 A 109) HE2
ASP( 13 A 110) HD2
GLU( 13 A 123) HE2
HIS( 13 A 124) HD1
HIS( 13 A 125) HE2
HIS( 13 A 126) HD1
HIS( 13 A 127) HD1
HIS( 13 A 128) HD1
HIS( 13 A 129) HD1
GLU( 14 A 8) HE2
GLU( 14 A 12) HE2
GLU( 14 A 13) HE2
GLU( 14 A 15) HE2
GLU( 14 A 16) HE2
ASP( 14 A 22) HD2
GLU( 14 A 28) HE2
GLU( 14 A 35) HE2
GLU( 14 A 36) HE2
GLU( 14 A 44) HE2
GLU( 14 A 49) HE2
GLU( 14 A 63) HE2
GLU( 14 A 78) HE2
HIS( 14 A 90) HD1
GLU( 14 A 92) HE2
HIS( 14 A 95) HD1
GLU( 14 A 96) HE2
GLU( 14 A 101) HE2
GLU( 14 A 103) HE2
GLU( 14 A 109) HE2
ASP( 14 A 110) HD2
GLU( 14 A 123) HE2
HIS( 14 A 124) HE2
HIS( 14 A 125) HE2
HIS( 14 A 126) HD1
HIS( 14 A 127) HD1
HIS( 14 A 128) HD1
HIS( 14 A 129) HD1
GLU( 15 A 8) HE2
GLU( 15 A 12) HE2
GLU( 15 A 13) HE2
GLU( 15 A 15) HE2
GLU( 15 A 16) HE2
ASP( 15 A 22) HD2
GLU( 15 A 28) HE2
GLU( 15 A 35) HE2
GLU( 15 A 36) HE2
GLU( 15 A 44) HE2
GLU( 15 A 49) HE2
GLU( 15 A 63) HE2
GLU( 15 A 78) HE2
HIS( 15 A 90) HD1
GLU( 15 A 92) HE2
HIS( 15 A 95) HD1
GLU( 15 A 96) HE2
GLU( 15 A 101) HE2
GLU( 15 A 103) HE2
GLU( 15 A 109) HE2
ASP( 15 A 110) HD2
GLU( 15 A 123) HE2
HIS( 15 A 124) HD1
HIS( 15 A 125) HD1
HIS( 15 A 126) HE2
HIS( 15 A 127) HE2
HIS( 15 A 128) HD1
HIS( 15 A 129) HE2
GLU( 16 A 8) HE2
GLU( 16 A 12) HE2
GLU( 16 A 13) HE2
GLU( 16 A 15) HE2
GLU( 16 A 16) HE2
ASP( 16 A 22) HD2
GLU( 16 A 28) HE2
GLU( 16 A 35) HE2
GLU( 16 A 36) HE2
GLU( 16 A 44) HE2
GLU( 16 A 49) HE2
GLU( 16 A 63) HE2
GLU( 16 A 78) HE2
HIS( 16 A 90) HD1
GLU( 16 A 92) HE2
HIS( 16 A 95) HD1
GLU( 16 A 96) HE2
GLU( 16 A 101) HE2
GLU( 16 A 103) HE2
GLU( 16 A 109) HE2
ASP( 16 A 110) HD2
GLU( 16 A 123) HE2
HIS( 16 A 124) HD1
HIS( 16 A 125) HE2
HIS( 16 A 126) HD1
HIS( 16 A 127) HD1
HIS( 16 A 128) HE2
HIS( 16 A 129) HE2
GLU( 17 A 8) HE2
GLU( 17 A 12) HE2
GLU( 17 A 13) HE2
GLU( 17 A 15) HE2
GLU( 17 A 16) HE2
ASP( 17 A 22) HD2
GLU( 17 A 28) HE2
GLU( 17 A 35) HE2
GLU( 17 A 36) HE2
GLU( 17 A 44) HE2
GLU( 17 A 49) HE2
GLU( 17 A 63) HE2
GLU( 17 A 78) HE2
HIS( 17 A 90) HD1
GLU( 17 A 92) HE2
HIS( 17 A 95) HD1
GLU( 17 A 96) HE2
GLU( 17 A 101) HE2
GLU( 17 A 103) HE2
GLU( 17 A 109) HE2
ASP( 17 A 110) HD2
GLU( 17 A 123) HE2
HIS( 17 A 124) HD1
HIS( 17 A 125) HE2
HIS( 17 A 126) HD1
HIS( 17 A 127) HD1
HIS( 17 A 128) HE2
HIS( 17 A 129) HE2
GLU( 18 A 8) HE2
GLU( 18 A 12) HE2
GLU( 18 A 13) HE2
GLU( 18 A 15) HE2
GLU( 18 A 16) HE2
ASP( 18 A 22) HD2
GLU( 18 A 28) HE2
GLU( 18 A 35) HE2
GLU( 18 A 36) HE2
GLU( 18 A 44) HE2
GLU( 18 A 49) HE2
GLU( 18 A 63) HE2
GLU( 18 A 78) HE2
HIS( 18 A 90) HE2
GLU( 18 A 92) HE2
HIS( 18 A 95) HE2
GLU( 18 A 96) HE2
GLU( 18 A 101) HE2
GLU( 18 A 103) HE2
GLU( 18 A 109) HE2
ASP( 18 A 110) HD2
GLU( 18 A 123) HE2
HIS( 18 A 124) HD1
HIS( 18 A 125) HE2
HIS( 18 A 126) HD1
HIS( 18 A 127) HE2
HIS( 18 A 128) HD1
HIS( 18 A 129) HD1
GLU( 19 A 8) HE2
GLU( 19 A 12) HE2
GLU( 19 A 13) HE2
GLU( 19 A 15) HE2
GLU( 19 A 16) HE2
ASP( 19 A 22) HD2
GLU( 19 A 28) HE2
GLU( 19 A 35) HE2
GLU( 19 A 36) HE2
GLU( 19 A 44) HE2
GLU( 19 A 49) HE2
GLU( 19 A 63) HE2
GLU( 19 A 78) HE2
HIS( 19 A 90) HD1
GLU( 19 A 92) HE2
HIS( 19 A 95) HE2
GLU( 19 A 96) HE2
GLU( 19 A 101) HE2
GLU( 19 A 103) HE2
GLU( 19 A 109) HE2
ASP( 19 A 110) HD2
GLU( 19 A 123) HE2
HIS( 19 A 124) HE2
HIS( 19 A 125) HE2
HIS( 19 A 126) HD1
HIS( 19 A 127) HD1
HIS( 19 A 128) HE2
HIS( 19 A 129) HD1
GLU( 20 A 8) HE2
GLU( 20 A 12) HE2
GLU( 20 A 13) HE2
GLU( 20 A 15) HE2
GLU( 20 A 16) HE2
ASP( 20 A 22) HD2
GLU( 20 A 28) HE2
GLU( 20 A 35) HE2
GLU( 20 A 36) HE2
GLU( 20 A 44) HE2
GLU( 20 A 49) HE2
GLU( 20 A 63) HE2
GLU( 20 A 78) HE2
HIS( 20 A 90) HD1
GLU( 20 A 92) HE2
HIS( 20 A 95) HD1
GLU( 20 A 96) HE2
GLU( 20 A 101) HE2
GLU( 20 A 103) HE2
GLU( 20 A 109) HE2
ASP( 20 A 110) HD2
GLU( 20 A 123) HE2
HIS( 20 A 124) HD1
HIS( 20 A 125) HE2
HIS( 20 A 126) HD1
HIS( 20 A 127) HD1
HIS( 20 A 128) HD1
HIS( 20 A 129) HD1
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 129) O2
HIS( 2 A 129) O2
HIS( 3 A 129) O2
HIS( 4 A 129) O2
HIS( 5 A 129) O2
HIS( 6 A 129) O2
HIS( 7 A 129) O2
HIS( 8 A 129) O2
HIS( 9 A 129) O2
HIS( 10 A 129) O2
HIS( 11 A 129) O2
HIS( 12 A 129) O2
HIS( 13 A 129) O2
HIS( 14 A 129) O2
HIS( 15 A 129) O2
HIS( 16 A 129) O2
HIS( 17 A 129) O2
HIS( 18 A 129) O2
HIS( 19 A 129) O2
HIS( 20 A 129) O2
CHECK TERMINAL ATOMS
--------------------
Terminal atom(s) showed in middle of sequence will be deleted:
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
1H MET 1 A
2H MET 1 A
3H MET 1 A
SSR10_R3_em_bcr3.pdb: Missing KEYWDS records
SSR10_R3_em_bcr3.pdb: Missing TITLE record