Detailed results of SRR115C_R3_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 3081
# INTRA-RESIDUE RESTRAINTS (I=J) : 557
# SEQUENTIAL RESTRAINTS (I-J)=1 : 703
# BACKBONE-BACKBONE : 106
# BACKBONE-SIDE CHAIN : 112
# SIDE CHAIN-SIDE CHAIN : 485
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 1017
# BACKBONE-BACKBONE : 276
# BACKBONE-SIDE CHAIN : 266
# SIDE CHAIN-SIDE CHAIN : 475
# LONG RANGE RESTRAINTS (I-J)>=5 : 804
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 3081
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
GLU 1 0 2.5 2.5 0.0 0.0 0.0
ASP 2 3 10.5 9.0 1.5 0.0 0.0
PRO 3 0 15.5 9.5 2.0 4.0 0.0
GLU 4 7 7.5 5.5 0.5 1.5 0.0
ASP 5 1 15.5 7.0 8.5 0.0 0.0
PRO 6 0 17.5 9.0 4.5 4.0 0.0
PHE 7 4 21.5 7.5 12.0 2.0 0.0
THR 8 3 19.5 7.0 8.0 4.5 0.0
ARG 9 16 34.0 9.5 11.0 13.5 0.0
TYR 10 4 38.5 8.5 15.5 14.5 0.0
ALA 11 1 17.0 5.0 12.0 0.0 0.0
LEU 12 10 24.0 6.5 15.0 2.5 0.0
ALA 13 1 34.5 7.5 14.0 13.0 0.0
GLN 14 8 29.0 6.5 14.0 8.5 0.0
GLU 15 5 19.5 7.0 12.5 0.0 0.0
HIS 16 5 40.0 8.0 12.0 20.0 0.0
LEU 17 10 35.0 9.0 12.0 14.0 0.0
LYS 18 15 17.0 10.5 6.5 0.0 0.0
HIS 19 5 15.0 8.5 6.5 0.0 0.0
ASP 20 3 10.5 5.5 5.0 0.0 0.0
ASN 21 6 34.0 7.5 19.0 7.5 0.0
ALA 22 1 23.0 6.5 6.5 10.0 0.0
SER 23 1 16.5 4.5 10.5 1.5 0.0
ARG 24 14 24.0 5.5 16.0 2.5 0.0
ALA 25 1 39.0 5.5 17.0 16.5 0.0
LEU 26 11 43.5 6.0 16.5 21.0 0.0
ALA 27 1 18.0 8.0 9.0 1.0 0.0
LEU 28 12 39.0 8.5 12.5 18.0 0.0
PHE 29 4 56.5 6.5 16.0 34.0 0.0
GLU 30 5 25.0 5.0 13.0 7.0 0.0
GLU 31 4 20.5 7.0 11.5 2.0 0.0
LEU 32 10 47.5 10.5 16.5 20.5 0.0
VAL 33 5 34.5 11.0 12.0 11.5 0.0
GLU 34 4 17.0 11.5 5.5 0.0 0.0
THR 35 2 17.0 8.0 9.0 0.0 0.0
ASP 36 1 18.0 4.0 14.0 0.0 0.0
PRO 37 0 13.0 5.0 4.0 4.0 0.0
ASP 38 0 9.0 5.0 1.5 2.5 0.0
TYR 39 5 34.0 10.0 13.5 10.5 0.0
VAL 40 5 42.0 11.0 7.5 23.5 0.0
GLY 41 0 11.0 4.5 6.5 0.0 0.0
THR 42 5 30.5 4.5 13.5 12.5 0.0
TYR 43 6 46.0 5.0 14.5 26.5 0.0
TYR 44 3 34.0 7.0 9.5 17.5 0.0
HIS 45 7 26.5 10.0 9.0 7.5 0.0
LEU 46 11 54.0 9.0 20.0 25.0 0.0
GLY 47 0 26.0 5.5 11.0 9.5 0.0
LYS 48 25 21.5 5.0 12.5 4.0 0.0
LEU 49 11 53.5 8.0 21.0 24.5 0.0
TYR 50 6 57.5 8.0 17.0 32.5 0.0
GLU 51 5 23.0 6.5 5.5 11.0 0.0
ARG 52 13 21.0 8.5 10.0 2.5 0.0
LEU 53 10 31.0 10.0 17.0 4.0 0.0
ASP 54 3 13.0 9.0 4.0 0.0 0.0
ARG 55 13 31.5 8.5 13.5 9.5 0.0
THR 56 3 29.5 6.5 8.5 14.5 0.0
ASP 57 1 13.5 5.0 8.0 0.5 0.0
ASP 58 2 21.5 5.0 10.0 6.5 0.0
ALA 59 1 35.5 7.0 12.0 16.5 0.0
ILE 60 11 48.0 9.5 18.0 20.5 0.0
ASP 61 2 15.0 7.0 8.0 0.0 0.0
THR 62 3 31.0 5.0 10.5 15.5 0.0
TYR 63 5 47.5 7.5 14.0 26.0 0.0
ALA 64 1 26.0 8.0 13.0 5.0 0.0
GLN 65 14 32.5 8.0 15.0 9.5 0.0
GLY 66 0 29.0 6.5 12.5 10.0 0.0
ILE 67 12 56.0 8.5 19.0 28.5 0.0
GLU 68 5 27.5 11.0 16.0 0.5 0.0
VAL 69 5 43.5 9.0 23.5 11.0 0.0
ALA 70 1 38.0 6.0 17.5 14.5 0.0
ARG 71 18 25.5 9.0 10.0 6.5 0.0
GLU 72 8 20.5 12.0 8.5 0.0 0.0
GLU 73 4 24.0 8.5 12.0 3.5 0.0
GLY 74 0 15.5 5.5 5.0 5.0 0.0
THR 75 2 13.0 6.0 6.5 0.5 0.0
GLN 76 9 18.5 6.5 10.0 2.0 0.0
LYS 77 17 13.0 6.0 7.0 0.0 0.0
ASP 78 2 25.5 7.0 12.0 6.5 0.0
LEU 79 11 46.5 9.5 22.5 14.5 0.0
SER 80 1 20.5 8.0 11.0 1.5 0.0
GLU 81 3 18.0 5.0 9.0 4.0 0.0
LEU 82 12 55.0 7.0 13.0 35.0 0.0
GLN 83 13 36.5 8.5 18.0 10.0 0.0
ASP 84 2 20.0 8.0 11.5 0.5 0.0
ALA 85 1 23.5 6.0 11.0 6.5 0.0
LYS 86 24 44.5 8.5 10.5 25.5 0.0
LEU 87 9 26.0 11.0 13.5 1.5 0.0
LYS 88 19 21.0 11.0 9.5 0.5 0.0
ALA 89 1 21.0 9.5 6.5 5.0 0.0
GLU 90 6 22.5 6.0 9.0 7.5 0.0
GLY 91 0 9.5 6.0 3.5 0.0 0.0
LEU 92 11 15.0 7.5 2.5 5.0 0.0
GLU 93 7 11.5 8.5 1.0 2.0 0.0
HIS 94 0 6.5 6.5 0.0 0.0 0.0
HIS 95 0 2.0 2.0 0.0 0.0 0.0
HIS 96 0 0.0 0.0 0.0 0.0 0.0
HIS 97 0 0.0 0.0 0.0 0.0 0.0
HIS 98 0 0.0 0.0 0.0 0.0 0.0
HIS 99 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 557 2524.0 703.0 1017.0 804.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 3081.0
List of conformationally-resticting NOE constraints
assign ((resid 1 and name HA )) ( (resid 2 and name HN )) 3.00 1.20 0.45
assign ((resid 1 and name HB2 )) ( (resid 2 and name HN )) 4.10 2.30 0.62
assign ((resid 1 and name HB1 )) ( (resid 2 and name HN )) 4.10 2.30 0.62
assign ((resid 2 and name HN )) ( (resid 2 and name HB2 )) 3.61 1.81 0.54
assign ((resid 2 and name HN )) ( (resid 2 and name HB1 )) 3.61 1.81 0.54
assign ((resid 51 and name HN )) ( (resid 51 and name HG2 )) 3.43 1.63 0.51
assign ((resid 4 and name HN )) ( (resid 4 and name HG1 )) 3.83 2.03 0.57
assign ((resid 4 and name HN )) ( (resid 5 and name HN )) 3.00 1.20 0.45
assign ((resid 5 and name HN )) ( (resid 8 and name HB )) 4.26 2.46 0.64
assign ((resid 4 and name HB2 )) ( (resid 5 and name HN )) 3.87 2.07 0.58
assign ((resid 4 and name HB1 )) ( (resid 5 and name HN )) 3.87 2.07 0.58
assign ((resid 5 and name HN )) ( (resid 5 and name HB2 )) 2.81 1.01 0.42
assign ((resid 6 and name HB2 )) ( (resid 7 and name HN )) 4.19 2.39 0.63
assign ((resid 6 and name HB1 )) ( (resid 7 and name HN )) 4.19 2.39 0.63
assign ((resid 6 and name HG1 )) ( (resid 7 and name HN )) 4.09 2.29 0.61
assign ((resid 6 and name HG2 )) ( (resid 7 and name HN )) 4.09 2.29 0.61
assign ((resid 6 and name HD2 )) ( (resid 7 and name HN )) 4.15 2.35 0.62
assign ((resid 6 and name HD1 )) ( (resid 7 and name HN )) 4.15 2.35 0.62
assign ((resid 7 and name HN )) ( (resid 7 and name HB1 )) 3.13 1.33 0.47
assign ((resid 7 and name HN )) ( (resid 7 and name HB2 )) 3.20 1.40 0.48
assign ((resid 7 and name HN )) ( (resid 7 and name HD* )) 4.20 2.40 0.63
assign ((resid 7 and name HN )) ( (resid 8 and name HN )) 3.16 1.36 0.47
assign ((resid 7 and name HB1 )) ( (resid 8 and name HN )) 3.49 1.69 0.52
assign ((resid 7 and name HB2 )) ( (resid 8 and name HN )) 3.81 2.01 0.57
assign ((resid 7 and name HD* )) ( (resid 8 and name HN )) 4.40 2.60 0.66
assign ((resid 8 and name HN )) ( (resid 8 and name HB )) 2.91 1.11 0.44
assign ((resid 8 and name HN )) ( (resid 9 and name HN )) 3.22 1.42 0.48
assign ((resid 8 and name HN )) ( (resid 10 and name HN )) 4.24 2.44 0.64
assign ((resid 7 and name HN )) ( (resid 9 and name HN )) 5.15 3.35 0.77
assign ((resid 8 and name HB )) ( (resid 9 and name HN )) 3.51 1.71 0.53
assign ((resid 9 and name HN )) ( (resid 9 and name HB1 )) 3.40 1.60 0.51
assign ((resid 9 and name HN )) ( (resid 9 and name HG2 )) 3.74 1.94 0.56
assign ((resid 9 and name HN )) ( (resid 9 and name HG1 )) 3.70 1.90 0.56
assign ((resid 9 and name HN )) ( (resid 9 and name HD1 )) 4.37 2.57 0.66
assign ((resid 9 and name HN )) ( (resid 9 and name HD2 )) 4.58 2.78 0.69
assign ((resid 7 and name HA )) ( (resid 10 and name HN )) 4.09 2.29 0.61
assign ((resid 7 and name HA )) ( (resid 11 and name HN )) 4.34 2.54 0.65
assign ((resid 9 and name HN )) ( (resid 10 and name HN )) 3.57 1.77 0.54
assign ((resid 9 and name HB1 )) ( (resid 10 and name HN )) 3.97 2.17 0.60
assign ((resid 9 and name HB2 )) ( (resid 10 and name HN )) 4.40 2.60 0.66
assign ((resid 9 and name HG2 )) ( (resid 10 and name HN )) 4.51 2.71 0.68
assign ((resid 9 and name HG1 )) ( (resid 10 and name HN )) 3.93 2.13 0.59
assign ((resid 9 and name HD1 )) ( (resid 10 and name HN )) 4.22 2.42 0.63
assign ((resid 9 and name HD2 )) ( (resid 10 and name HN )) 4.53 2.73 0.68
assign ((resid 10 and name HN )) ( (resid 10 and name HB2 )) 3.34 1.54 0.50
assign ((resid 10 and name HN )) ( (resid 10 and name HB1 )) 3.57 1.77 0.54
assign ((resid 10 and name HB1 )) ( (resid 11 and name HN )) 3.84 2.04 0.58
assign ((resid 10 and name HD* )) ( (resid 11 and name HN )) 3.47 1.67 0.52
assign ((resid 11 and name HN )) ( (resid 11 and name HB* )) 2.76 0.96 0.41
assign ((resid 11 and name HN )) ( (resid 12 and name HN )) 3.30 1.50 0.50
assign ((resid 9 and name HA )) ( (resid 12 and name HN )) 3.97 2.17 0.60
assign ((resid 10 and name HA )) ( (resid 12 and name HN )) 4.98 3.18 0.75
assign ((resid 12 and name HN )) ( (resid 12 and name HB2 )) 3.07 1.27 0.46
assign ((resid 12 and name HN )) ( (resid 12 and name HB1 )) 3.37 1.57 0.51
assign ((resid 12 and name HN )) ( (resid 28 and name HD1* )) 4.63 2.83 0.69
assign ((resid 12 and name HN )) ( (resid 14 and name HN )) 4.62 2.82 0.69
assign ((resid 10 and name HA )) ( (resid 13 and name HN )) 4.02 2.22 0.60
assign ((resid 12 and name HN )) ( (resid 13 and name HN )) 3.01 1.21 0.45
assign ((resid 12 and name HB1 )) ( (resid 13 and name HN )) 3.01 1.21 0.45
assign ((resid 22 and name HN )) ( (resid 22 and name HB* )) 2.66 0.86 0.40
assign ((resid 13 and name HN )) ( (resid 28 and name HD1* )) 3.36 1.56 0.50
assign ((resid 13 and name HN )) ( (resid 13 and name HB* )) 2.70 0.90 0.41
assign ((resid 13 and name HN )) ( (resid 14 and name HN )) 2.94 1.14 0.44
assign ((resid 13 and name HN )) ( (resid 15 and name HN )) 4.23 2.43 0.63
assign ((resid 10 and name HA )) ( (resid 14 and name HN )) 5.15 3.35 0.77
assign ((resid 13 and name HB* )) ( (resid 14 and name HN )) 3.12 1.32 0.47
assign ((resid 14 and name HN )) ( (resid 14 and name HB2 )) 3.08 1.28 0.46
assign ((resid 14 and name HN )) ( (resid 14 and name HB1 )) 3.71 1.91 0.56
assign ((resid 14 and name HN )) ( (resid 14 and name HG2 )) 3.17 1.37 0.48
assign ((resid 14 and name HN )) ( (resid 14 and name HG1 )) 3.26 1.46 0.49
assign ((resid 14 and name HN )) ( (resid 15 and name HN )) 3.24 1.44 0.49
assign ((resid 14 and name HN )) ( (resid 16 and name HN )) 4.34 2.54 0.65
assign ((resid 13 and name HA )) ( (resid 15 and name HN )) 6.50 4.70 0.98
assign ((resid 52 and name HN )) ( (resid 52 and name HG2 )) 5.00 3.20 0.75
assign ((resid 14 and name HG2 )) ( (resid 15 and name HN )) 4.76 2.96 0.71
assign ((resid 14 and name HG1 )) ( (resid 15 and name HN )) 4.13 2.33 0.62
assign ((resid 15 and name HN )) ( (resid 15 and name HB2 )) 2.95 1.15 0.44
assign ((resid 15 and name HN )) ( (resid 15 and name HG2 )) 3.47 1.67 0.52
assign ((resid 15 and name HN )) ( (resid 17 and name HN )) 4.16 2.36 0.62
assign ((resid 13 and name HA )) ( (resid 16 and name HN )) 3.95 2.15 0.59
assign ((resid 15 and name HN )) ( (resid 16 and name HN )) 3.12 1.32 0.47
assign ((resid 15 and name HB2 )) ( (resid 16 and name HN )) 3.12 1.32 0.47
assign ((resid 15 and name HG1 )) ( (resid 16 and name HN )) 5.00 3.20 0.75
assign ((resid 16 and name HN )) ( (resid 16 and name HB1 )) 3.58 1.78 0.54
assign ((resid 16 and name HN )) ( (resid 16 and name HB2 )) 3.37 1.57 0.51
assign ((resid 16 and name HN )) ( (resid 16 and name HD2 )) 3.93 2.13 0.59
assign ((resid 13 and name HA )) ( (resid 17 and name HN )) 5.98 4.18 0.90
assign ((resid 14 and name HA )) ( (resid 17 and name HN )) 3.93 2.13 0.59
assign ((resid 15 and name HA )) ( (resid 17 and name HN )) 5.68 3.88 0.85
assign ((resid 16 and name HN )) ( (resid 17 and name HN )) 3.20 1.40 0.48
assign ((resid 16 and name HB1 )) ( (resid 17 and name HN )) 3.62 1.82 0.54
assign ((resid 16 and name HB2 )) ( (resid 17 and name HN )) 3.72 1.92 0.56
assign ((resid 16 and name HD2 )) ( (resid 17 and name HN )) 5.49 3.69 0.82
assign ((resid 17 and name HN )) ( (resid 17 and name HB2 )) 2.70 0.90 0.41
assign ((resid 17 and name HN )) ( (resid 17 and name HG )) 3.23 1.43 0.48
assign ((resid 17 and name HN )) ( (resid 17 and name HD2* )) 3.65 1.85 0.55
assign ((resid 17 and name HN )) ( (resid 18 and name HN )) 3.06 1.26 0.46
assign ((resid 17 and name HB2 )) ( (resid 18 and name HN )) 2.77 0.97 0.42
assign ((resid 17 and name HG )) ( (resid 18 and name HN )) 4.35 2.55 0.65
assign ((resid 17 and name HD2* )) ( (resid 18 and name HN )) 4.62 2.82 0.69
assign ((resid 17 and name HD1* )) ( (resid 18 and name HN )) 4.83 3.03 0.72
assign ((resid 18 and name HN )) ( (resid 18 and name HG2 )) 3.54 1.74 0.53
assign ((resid 18 and name HN )) ( (resid 18 and name HG1 )) 3.54 1.74 0.53
assign ((resid 18 and name HN )) ( (resid 19 and name HN )) 3.06 1.26 0.46
assign ((resid 18 and name HB2 )) ( (resid 19 and name HN )) 4.97 3.17 0.75
assign ((resid 18 and name HB1 )) ( (resid 19 and name HN )) 4.97 3.17 0.75
assign ((resid 18 and name HG2 )) ( (resid 19 and name HN )) 5.27 3.47 0.79
assign ((resid 18 and name HG1 )) ( (resid 19 and name HN )) 5.27 3.47 0.79
assign ((resid 19 and name HN )) ( (resid 19 and name HB2 )) 3.71 1.91 0.56
assign ((resid 19 and name HN )) ( (resid 19 and name HB1 )) 3.71 1.91 0.56
assign ((resid 19 and name HN )) ( (resid 19 and name HD2 )) 4.28 2.48 0.64
assign ((resid 19 and name HN )) ( (resid 20 and name HN )) 3.08 1.28 0.46
assign ((resid 19 and name HB2 )) ( (resid 20 and name HN )) 4.25 2.45 0.64
assign ((resid 19 and name HB1 )) ( (resid 20 and name HN )) 4.25 2.45 0.64
assign ((resid 19 and name HD2 )) ( (resid 20 and name HN )) 5.27 3.47 0.79
assign ((resid 20 and name HN )) ( (resid 20 and name HB2 )) 3.57 1.77 0.54
assign ((resid 20 and name HN )) ( (resid 20 and name HB1 )) 3.57 1.77 0.54
assign ((resid 20 and name HN )) ( (resid 21 and name HN )) 3.11 1.31 0.47
assign ((resid 20 and name HA )) ( (resid 21 and name HN )) 3.03 1.23 0.45
assign ((resid 20 and name HB2 )) ( (resid 21 and name HN )) 4.65 2.85 0.70
assign ((resid 20 and name HB1 )) ( (resid 21 and name HN )) 4.65 2.85 0.70
assign ((resid 21 and name HN )) ( (resid 21 and name HB2 )) 3.01 1.21 0.45
assign ((resid 21 and name HA )) ( (resid 21 and name HD21 )) 4.87 3.07 0.73
assign ((resid 21 and name HN )) ( (resid 21 and name HD22 )) 5.54 3.74 0.83
assign ((resid 21 and name HA )) ( (resid 21 and name HD22 )) 4.78 2.98 0.72
assign ((resid 21 and name HB1 )) ( (resid 21 and name HD22 )) 3.78 1.98 0.57
assign ((resid 21 and name HN )) ( (resid 22 and name HN )) 3.28 1.48 0.49
assign ((resid 21 and name HA )) ( (resid 22 and name HN )) 2.91 1.11 0.44
assign ((resid 21 and name HB2 )) ( (resid 22 and name HN )) 4.32 2.52 0.65
assign ((resid 22 and name HN )) ( (resid 23 and name HN )) 3.78 1.98 0.57
assign ((resid 22 and name HB* )) ( (resid 23 and name HN )) 3.52 1.72 0.53
assign ((resid 23 and name HN )) ( (resid 24 and name HN )) 3.75 1.95 0.56
assign ((resid 22 and name HN )) ( (resid 24 and name HN )) 4.68 2.88 0.70
assign ((resid 22 and name HA )) ( (resid 24 and name HN )) 4.60 2.80 0.69
assign ((resid 23 and name HB2 )) ( (resid 24 and name HN )) 4.48 2.68 0.67
assign ((resid 23 and name HB1 )) ( (resid 24 and name HN )) 4.48 2.68 0.67
assign ((resid 24 and name HN )) ( (resid 24 and name HB1 )) 3.51 1.71 0.53
assign ((resid 24 and name HN )) ( (resid 24 and name HB2 )) 3.20 1.40 0.48
assign ((resid 24 and name HN )) ( (resid 24 and name HG1 )) 3.77 1.97 0.57
assign ((resid 24 and name HN )) ( (resid 24 and name HG2 )) 3.42 1.62 0.51
assign ((resid 24 and name HN )) ( (resid 24 and name HD2 )) 5.12 3.32 0.77
assign ((resid 22 and name HA )) ( (resid 25 and name HN )) 3.61 1.81 0.54
assign ((resid 23 and name HN )) ( (resid 25 and name HN )) 4.83 3.03 0.72
assign ((resid 23 and name HA )) ( (resid 25 and name HN )) 4.78 2.98 0.72
assign ((resid 24 and name HN )) ( (resid 25 and name HN )) 3.18 1.38 0.48
assign ((resid 24 and name HB1 )) ( (resid 25 and name HN )) 3.59 1.79 0.54
assign ((resid 24 and name HB2 )) ( (resid 25 and name HN )) 3.51 1.71 0.53
assign ((resid 24 and name HG1 )) ( (resid 25 and name HN )) 4.80 3.00 0.72
assign ((resid 24 and name HG2 )) ( (resid 25 and name HN )) 4.44 2.64 0.67
assign ((resid 25 and name HN )) ( (resid 25 and name HB* )) 2.84 1.04 0.43
assign ((resid 25 and name HN )) ( (resid 26 and name HN )) 3.31 1.51 0.50
assign ((resid 25 and name HN )) ( (resid 27 and name HN )) 4.67 2.87 0.70
assign ((resid 22 and name HA )) ( (resid 26 and name HN )) 4.00 2.20 0.60
assign ((resid 23 and name HA )) ( (resid 26 and name HN )) 3.85 2.05 0.58
assign ((resid 24 and name HN )) ( (resid 26 and name HN )) 4.62 2.82 0.69
assign ((resid 24 and name HA )) ( (resid 26 and name HN )) 4.53 2.73 0.68
assign ((resid 25 and name HB* )) ( (resid 26 and name HN )) 3.13 1.33 0.47
assign ((resid 26 and name HN )) ( (resid 26 and name HB2 )) 3.13 1.33 0.47
assign ((resid 26 and name HN )) ( (resid 26 and name HB1 )) 3.19 1.39 0.48
assign ((resid 26 and name HN )) ( (resid 26 and name HG )) 4.77 2.97 0.72
assign ((resid 26 and name HN )) ( (resid 26 and name HD2* )) 3.76 1.96 0.56
assign ((resid 26 and name HN )) ( (resid 28 and name HN )) 4.91 3.11 0.74
assign ((resid 23 and name HA )) ( (resid 27 and name HN )) 5.21 3.41 0.78
assign ((resid 26 and name HN )) ( (resid 27 and name HN )) 3.30 1.50 0.50
assign ((resid 26 and name HB2 )) ( (resid 27 and name HN )) 3.53 1.73 0.53
assign ((resid 26 and name HB1 )) ( (resid 27 and name HN )) 3.22 1.42 0.48
assign ((resid 26 and name HD1* )) ( (resid 27 and name HN )) 4.20 2.40 0.63
assign ((resid 27 and name HN )) ( (resid 27 and name HB* )) 2.61 0.81 0.39
assign ((resid 27 and name HN )) ( (resid 28 and name HN )) 3.24 1.44 0.49
assign ((resid 24 and name HA )) ( (resid 28 and name HN )) 4.73 2.93 0.71
assign ((resid 25 and name HA )) ( (resid 28 and name HN )) 4.14 2.34 0.62
assign ((resid 26 and name HA )) ( (resid 28 and name HN )) 4.92 3.12 0.74
assign ((resid 27 and name HB* )) ( (resid 28 and name HN )) 3.13 1.33 0.47
assign ((resid 28 and name HN )) ( (resid 28 and name HB1 )) 3.65 1.85 0.55
assign ((resid 28 and name HN )) ( (resid 28 and name HB2 )) 3.52 1.72 0.53
assign ((resid 28 and name HN )) ( (resid 28 and name HG )) 3.06 1.26 0.46
assign ((resid 28 and name HN )) ( (resid 28 and name HD1* )) 3.48 1.68 0.52
assign ((resid 28 and name HN )) ( (resid 28 and name HD2* )) 3.43 1.63 0.51
assign ((resid 28 and name HN )) ( (resid 30 and name HN )) 4.74 2.94 0.71
assign ((resid 25 and name HA )) ( (resid 29 and name HN )) 4.66 2.86 0.70
assign ((resid 26 and name HA )) ( (resid 29 and name HN )) 3.87 2.07 0.58
assign ((resid 27 and name HN )) ( (resid 29 and name HN )) 4.84 3.04 0.73
assign ((resid 27 and name HA )) ( (resid 29 and name HN )) 4.84 3.04 0.73
assign ((resid 28 and name HN )) ( (resid 29 and name HN )) 3.30 1.50 0.50
assign ((resid 28 and name HB1 )) ( (resid 29 and name HN )) 3.58 1.78 0.54
assign ((resid 28 and name HB2 )) ( (resid 29 and name HN )) 3.84 2.04 0.58
assign ((resid 64 and name HN )) ( (resid 67 and name HD1* )) 3.67 1.87 0.55
assign ((resid 28 and name HD2* )) ( (resid 29 and name HN )) 4.68 2.88 0.70
assign ((resid 29 and name HN )) ( (resid 29 and name HB2 )) 3.33 1.53 0.50
assign ((resid 29 and name HN )) ( (resid 29 and name HD* )) 3.72 1.92 0.56
assign ((resid 29 and name HN )) ( (resid 30 and name HN )) 3.39 1.59 0.51
assign ((resid 29 and name HN )) ( (resid 31 and name HN )) 4.55 2.75 0.68
assign ((resid 27 and name HA )) ( (resid 30 and name HN )) 4.12 2.32 0.62
assign ((resid 28 and name HA )) ( (resid 30 and name HN )) 5.28 3.48 0.79
assign ((resid 29 and name HB1 )) ( (resid 30 and name HN )) 4.35 2.55 0.65
assign ((resid 29 and name HB2 )) ( (resid 30 and name HN )) 4.07 2.27 0.61
assign ((resid 29 and name HD* )) ( (resid 30 and name HN )) 4.81 3.01 0.72
assign ((resid 30 and name HN )) ( (resid 30 and name HB2 )) 3.28 1.48 0.49
assign ((resid 30 and name HN )) ( (resid 30 and name HG1 )) 3.70 1.90 0.56
assign ((resid 27 and name HA )) ( (resid 31 and name HN )) 4.13 2.33 0.62
assign ((resid 28 and name HA )) ( (resid 31 and name HN )) 4.05 2.25 0.61
assign ((resid 29 and name HA )) ( (resid 31 and name HN )) 5.32 3.52 0.80
assign ((resid 30 and name HN )) ( (resid 31 and name HN )) 3.32 1.52 0.50
assign ((resid 30 and name HB1 )) ( (resid 31 and name HN )) 3.76 1.96 0.56
assign ((resid 30 and name HB2 )) ( (resid 31 and name HN )) 2.90 1.10 0.44
assign ((resid 30 and name HG1 )) ( (resid 31 and name HN )) 4.38 2.58 0.66
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assign ((resid 81 and name HN )) ( (resid 81 and name HG* )) 3.00 1.20 0.45
assign ((resid 81 and name HA )) ( (resid 81 and name HG* )) 3.06 1.26 0.46
assign ((resid 81 and name HG* )) ( (resid 82 and name HN )) 4.75 2.95 0.71
assign ((resid 85 and name HA )) ( (resid 88 and name HD* )) 4.63 2.83 0.69
assign ((resid 88 and name HN )) ( (resid 88 and name HD* )) 4.34 2.54 0.65
assign ((resid 88 and name HA )) ( (resid 88 and name HD* )) 4.19 2.39 0.63
assign ((resid 88 and name HG2 )) ( (resid 88 and name HD* )) 2.51 0.71 0.38
assign ((resid 88 and name HG2 )) ( (resid 88 and name HE* )) 3.62 1.82 0.54
assign ((resid 88 and name HG1 )) ( (resid 88 and name HE* )) 3.72 1.92 0.56
assign ((resid 88 and name HD* )) ( (resid 89 and name HN )) 5.00 3.20 0.75
assign ((resid 88 and name HD* )) ( (resid 89 and name HA )) 4.60 2.80 0.69
assign ((resid 88 and name HE* )) ( (resid 89 and name HN )) 5.20 3.40 0.78
assign ((resid 91 and name HA* )) ( (resid 92 and name HA )) 4.61 2.81 0.69
assign ((resid 91 and name HA* )) ( (resid 92 and name HG )) 4.84 3.04 0.73
assign ((resid 91 and name HA* )) ( (resid 92 and name HD2* )) 5.40 3.60 0.81
assign ((resid 91 and name HA* )) ( (resid 93 and name HN )) 5.01 3.21 0.75
assign ((resid 93 and name HN )) ( (resid 93 and name HB* )) 3.15 1.35 0.47
assign ((resid 93 and name HN )) ( (resid 93 and name HG* )) 3.39 1.59 0.51
assign ((resid 93 and name HN )) ( (resid 94 and name HB* )) 5.09 3.29 0.76
assign ((resid 93 and name HA )) ( (resid 93 and name HG* )) 3.34 1.54 0.50
assign ((resid 93 and name HB* )) ( (resid 94 and name HN )) 3.75 1.95 0.56
assign ((resid 93 and name HG* )) ( (resid 94 and name HN )) 4.74 2.94 0.71
assign ((resid 93 and name HG* )) ( (resid 94 and name HA )) 6.50 4.70 0.98
assign ((resid 94 and name HB* )) ( (resid 95 and name HN )) 4.15 2.35 0.62
list of removed NOE constraints
6-> PRO 3 HA - GLU 4 HN 1.80 3.99 # NoRestrctn S [2.00 3.99] -- sequential
7-> GLU 4 HN - GLU 4 HB2 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
9-> GLU 4 HN - GLU 4 HB1 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
35-> ARG 9 HN - ARG 9 HB2 1.80 4.45 # NoRestrctn I [2.00 4.30] -- intra
86-> GLU 15 HA - HIS 16 HN 1.80 4.03 # NoRestrctn S [2.00 3.99] -- sequential
107-> LYS 18 HN - LYS 18 HA 1.80 3.32 # NoRestrctn I [2.22 2.95] -- intra
122-> ASP 20 HN - ASP 20 HA 1.80 3.06 # NoRestrctn I [2.22 2.95] -- intra
196-> PHE 29 HN - PHE 29 HB1 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
206-> GLU 30 HN - GLU 30 HB1 1.80 4.31 # NoRestrctn I [2.00 4.30] -- intra
257-> ASP 36 HN - ASP 36 HB1 1.80 4.50 # NoRestrctn I [2.00 4.30] -- intra
259-> ASP 38 HN - ASP 38 HB2 1.80 4.81 # NoRestrctn I [2.00 4.30] -- intra
260-> ASP 38 HN - ASP 38 HB1 1.80 4.81 # NoRestrctn I [2.00 4.30] -- intra
298-> TYR 44 HN - HIS 45 HA 1.80 7.48 # NoRestrctn S [2.00 3.99] -- sequential
301-> TYR 44 HN - TYR 44 HB2 1.80 4.52 # NoRestrctn I [2.00 4.30] -- intra
302-> TYR 44 HN - TYR 44 HB1 1.80 4.52 # NoRestrctn I [2.00 4.30] -- intra
383-> GLU 51 HN - GLU 51 HB1 1.80 4.75 # NoRestrctn I [2.00 4.30] -- intra
392-> ARG 52 HN - ARG 52 HA 1.80 3.36 # NoRestrctn I [2.22 2.95] -- intra
407-> ASP 54 HN - ASP 54 HA 1.80 3.09 # NoRestrctn I [2.22 2.95] -- intra
430-> ASP 57 HN - ASP 57 HB2 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
431-> ASP 57 HN - ASP 57 HB1 1.80 4.30 # NoRestrctn I [2.00 4.30] -- intra
480-> TYR 63 HN - TYR 63 HB1 1.80 4.37 # NoRestrctn I [2.00 4.30] -- intra
496-> GLN 65 HN - GLN 65 HA 1.80 3.38 # NoRestrctn I [2.22 2.95] -- intra
507-> GLN 65 HG2 - GLN 65 HE22 1.80 4.32 # NoRestrctn I [3.46 4.15] -- intra
569-> GLU 73 HN - GLU 73 HB1 1.80 4.32 # NoRestrctn I [2.00 4.30] -- intra
574-> GLU 73 HA - GLY 74 HN 1.80 4.09 # NoRestrctn S [2.00 3.99] -- sequential
579-> GLY 74 HN - GLY 74 HA1 1.80 3.28 # NoRestrctn I [2.00 2.99] -- intra
584-> GLN 76 HN - GLN 76 HB1 1.80 4.67 # NoRestrctn I [2.00 4.30] -- intra
593-> LYS 77 HN - LYS 77 HB1 1.80 4.34 # NoRestrctn I [2.00 4.30] -- intra
626-> GLU 81 HN - GLU 81 HA 1.80 3.37 # NoRestrctn I [2.22 2.95] -- intra
634-> LEU 82 HN - LEU 82 HB1 1.80 4.76 # NoRestrctn I [2.00 4.30] -- intra
694-> LEU 87 HA - LYS 88 HN 1.80 4.09 # NoRestrctn S [2.00 3.99] -- sequential
723-> GLY 91 HA2 - LEU 92 HN 1.80 4.01 # NoRestrctn S [2.00 3.99] -- sequential
724-> GLY 91 HA1 - LEU 92 HN 1.80 4.01 # NoRestrctn S [2.00 3.99] -- sequential
817-> ARG 24 HN - ALA 25 HA 1.80 6.31 # NoRestrctn S [2.00 3.99] -- sequential
870-> ASP 36 HN - PRO 37 HA 1.80 5.97 # NoRestrctn S [2.00 3.99] -- sequential
960-> GLN 65 HN - GLY 66 HA1 1.80 6.03 # NoRestrctn S [2.00 3.99] -- sequential
1005-> GLU 73 HN - GLY 74 HA2 1.80 6.27 # NoRestrctn S [2.00 3.99] -- sequential
1007-> GLY 74 HN - THR 75 HA 1.80 6.15 # NoRestrctn S [2.00 3.99] -- sequential
1087-> ASP 20 HN - ASN 21 HA 1.80 6.73 # NoRestrctn S [2.00 3.99] -- sequential
1102-> THR 35 HN - ASP 36 HA 1.80 6.85 # NoRestrctn S [2.00 3.99] -- sequential
1125-> THR 56 HN - ASP 57 HA 1.80 6.51 # NoRestrctn S [2.00 3.99] -- sequential
1147-> GLU 68 HN - VAL 69 HA 1.80 6.29 # NoRestrctn S [2.00 3.99] -- sequential
1150-> VAL 69 HN - ALA 70 HA 1.80 5.70 # NoRestrctn S [2.00 3.99] -- sequential
1160-> LYS 77 HN - ASP 78 HA 1.80 6.30 # NoRestrctn S [2.00 3.99] -- sequential
1252-> ASP 84 HN - ALA 85 HA 1.80 6.24 # NoRestrctn S [2.00 3.99] -- sequential
1257-> GLY 91 HN - LEU 92 HA 1.80 6.13 # NoRestrctn S [2.00 3.99] -- sequential
1261-> GLU 93 HN - HIS 94 HA 1.80 5.88 # NoRestrctn S [2.00 3.99] -- sequential
1265-> ALA 22 HN - SER 23 HA 1.80 7.48 # NoRestrctn S [2.00 3.99] -- sequential
1268-> ARG 71 HN - GLU 72 HA 1.80 6.13 # NoRestrctn S [2.00 3.99] -- sequential
1283-> GLU 1 HA - GLU 1 HG2 1.80 4.86 # NoRestrctn I [2.06 4.60] -- intra
1284-> GLU 1 HA - GLU 1 HG1 1.80 4.86 # NoRestrctn I [2.06 4.60] -- intra
1292-> GLU 4 HA - ASP 5 HN 1.80 4.09 # NoRestrctn S [2.00 3.99] -- sequential
1318-> LEU 12 HA - LEU 12 HG 1.80 4.54 # NoRestrctn I [2.06 4.26] -- intra
1337-> GLN 14 HB1 - GLN 14 HG2 1.80 3.46 # NoRestrctn I [1.99 3.26] -- intra
1344-> LEU 17 HA - LEU 17 HG 1.80 4.31 # NoRestrctn I [2.06 4.26] -- intra
1358-> ASN 21 HN - ASN 21 HB1 1.80 4.37 # NoRestrctn I [2.00 4.30] -- intra
1366-> ARG 24 HB2 - ARG 24 HG1 1.80 3.29 # NoRestrctn I [1.99 3.26] -- intra
1415-> ARG 52 HA - ARG 52 HB1 1.80 3.42 # NoRestrctn I [2.22 3.02] -- intra
1418-> GLU 31 HN - GLU 31 HG2 1.80 6.18 # NoRestrctn I [2.35 6.01] -- intra
1419-> GLU 31 HN - GLU 31 HG1 1.80 6.18 # NoRestrctn I [2.35 6.01] -- intra
1423-> LEU 32 HN - LEU 32 HB1 1.80 4.63 # NoRestrctn I [2.00 4.30] -- intra
1435-> GLU 34 HA - GLU 34 HB1 1.80 3.35 # NoRestrctn I [2.22 3.02] -- intra
1437-> GLU 31 HA - GLU 31 HB2 1.80 3.23 # NoRestrctn I [2.22 3.02] -- intra
1438-> GLU 34 HA - GLU 34 HB2 1.80 3.45 # NoRestrctn I [2.22 3.02] -- intra
1445-> ASP 36 HA - PRO 37 HD2 1.80 4.12 # NoRestrctn S [2.00 3.95] -- sequential
1446-> ASP 36 HA - PRO 37 HD1 1.80 4.12 # NoRestrctn S [2.00 3.95] -- sequential
1452-> VAL 40 HA - GLY 41 HN 1.80 3.99 # NoRestrctn S [2.00 3.99] -- sequential
1498-> LEU 49 HA - LEU 49 HG 1.80 4.40 # NoRestrctn I [2.06 4.26] -- intra
1520-> ARG 52 HN - ARG 52 HB1 1.80 4.35 # NoRestrctn I [2.00 4.30] -- intra
1521-> ARG 52 HB1 - ARG 52 HG2 1.80 3.45 # NoRestrctn I [1.99 3.26] -- intra
1529-> LEU 53 HA - LEU 53 HB1 1.80 3.46 # NoRestrctn I [2.22 3.02] -- intra
1531-> LEU 53 HN - LEU 53 HB1 1.80 4.74 # NoRestrctn I [2.00 4.30] -- intra
1538-> ARG 55 HA - ARG 55 HG1 1.80 4.62 # NoRestrctn I [2.06 4.60] -- intra
1540-> ARG 55 HN - ARG 55 HB1 1.80 4.45 # NoRestrctn I [2.00 4.30] -- intra
1551-> ILE 60 HA - ILE 60 HG12 1.80 4.72 # NoRestrctn I [2.06 4.60] -- intra
1556-> ILE 60 HB - ILE 60 HD1* 1.80 3.89 # NoRestrctn I [2.63 3.78] -- intra
1580-> GLN 65 HB1 - GLN 65 HG1 1.80 3.38 # NoRestrctn I [1.99 3.26] -- intra
1598-> ILE 67 HG2* - ILE 67 HD1* 1.80 2.76 # TooRestrct I [2.92 5.00] -- intra
1600-> GLU 68 HA - GLU 68 HG1 1.80 4.65 # NoRestrctn I [2.06 4.60] -- intra
1603-> GLU 68 HB1 - GLU 68 HG2 1.80 3.35 # NoRestrctn I [1.99 3.26] -- intra
1616-> ARG 71 HA - ARG 71 HB1 1.80 3.44 # NoRestrctn I [2.22 3.02] -- intra
1642-> GLU 73 HA - GLU 73 HG1 1.80 4.70 # NoRestrctn I [2.06 4.60] -- intra
1646-> GLU 68 HA - GLU 68 HB1 1.80 3.44 # NoRestrctn I [2.22 3.02] -- intra
1650-> GLN 76 HN - GLN 76 HG2 1.80 6.06 # NoRestrctn I [2.35 6.01] -- intra
1651-> GLN 76 HN - GLN 76 HG1 1.80 6.06 # NoRestrctn I [2.35 6.01] -- intra
1656-> LYS 77 HA - LYS 77 HB2 1.80 3.35 # NoRestrctn I [2.22 3.02] -- intra
1664-> LEU 79 HA - LEU 79 HG 1.80 4.28 # NoRestrctn I [2.06 4.26] -- intra
1694-> GLU 15 HA - GLU 15 HB1 1.80 3.27 # NoRestrctn I [2.22 3.02] -- intra
1698-> GLN 83 HA - GLN 83 HB1 1.80 3.36 # NoRestrctn I [2.22 3.02] -- intra
1751-> LYS 88 HA - LYS 88 HG2 1.80 4.89 # NoRestrctn I [2.06 4.60] -- intra
1772-> LEU 92 HA - LEU 92 HB2 1.80 3.44 # NoRestrctn I [2.22 3.02] -- intra
1776-> LEU 92 HA - LEU 92 HG 1.80 4.80 # NoRestrctn I [2.06 4.26] -- intra
1832-> LEU 12 HA - ALA 13 HB* 1.80 6.07 # NoRestrctn S [2.00 6.01] -- sequential
1858-> HIS 19 HN - ASP 20 HA 1.80 5.35 # NoRestrctn S [2.00 3.99] -- sequential
1880-> ASN 21 HN - ALA 22 HA 1.80 6.56 # NoRestrctn S [2.00 3.99] -- sequential
1882-> LEU 26 HN - ALA 27 HB* 1.80 7.48 # NoRestrctn S [2.00 6.01] -- sequential
1925-> LEU 26 HN - ALA 27 HA 1.80 7.48 # NoRestrctn S [2.00 3.99] -- sequential
1969-> GLU 34 HN - THR 35 HA 1.80 6.28 # NoRestrctn S [2.00 3.99] -- sequential
2103-> LEU 53 HN - ASP 54 HA 1.80 5.83 # NoRestrctn S [2.00 3.99] -- sequential
2294-> GLU 73 HN - GLY 74 HA1 1.80 5.91 # NoRestrctn S [2.00 3.99] -- sequential
2334-> ASP 84 HA - ALA 85 HB* 1.80 6.11 # NoRestrctn S [2.00 6.01] -- sequential
2499-> LYS 86 HN - LEU 87 HA 1.80 6.14 # NoRestrctn S [2.00 3.99] -- sequential
2560-> GLN 65 HN - GLY 66 HA2 1.80 6.19 # NoRestrctn S [2.00 3.99] -- sequential
2783-> GLU 72 HN - GLU 73 HA 1.80 6.39 # NoRestrctn S [2.00 3.99] -- sequential
2982-> GLU 1 HA - GLU 1 HG* 1.80 4.14 # NoRestrctn I [2.23 4.01] -- intra
2983-> GLU 1 HA - ASP 2 HB* 1.80 7.48 # NoRestrctn S [2.00 6.01] -- sequential
2997-> GLU 4 HB* - GLU 4 HG* 1.80 2.59 # NoRestrctn I [2.26 2.50] -- intra
3002-> PRO 6 HB* - PHE 7 HA 1.80 6.58 # NoRestrctn S [2.00 6.01] -- sequential
3034-> LYS 18 HG* - LYS 18 HD* 1.80 2.68 # NoRestrctn I [2.26 2.50] -- intra
3035-> LYS 18 HG* - LYS 18 HE* 1.80 3.83 # NoRestrctn I [2.52 3.73] -- intra
3041-> HIS 19 HN - ASP 20 HB* 1.80 6.27 # NoRestrctn S [2.00 6.01] -- sequential
3065-> ASP 38 HN - ASP 38 HB* 1.80 4.15 # NoRestrctn I [2.29 3.93] -- intra
3067-> ASP 38 HB* - TYR 39 HA 1.80 6.26 # NoRestrctn S [2.00 6.01] -- sequential
3070-> VAL 40 HN - GLY 41 HA* 1.80 6.04 # NoRestrctn S [2.00 3.55] -- sequential
3077-> TYR 43 HN - TYR 44 HB* 1.80 6.46 # NoRestrctn S [2.00 6.01] -- sequential
3079-> TYR 44 HN - TYR 44 HB* 1.80 3.89 # NoRestrctn I [2.15 3.88] -- intra
3080-> TYR 44 HB* - HIS 45 HA 1.80 6.08 # NoRestrctn S [2.00 6.01] -- sequential
3113-> LEU 53 HN - ASP 54 HB* 1.80 6.31 # NoRestrctn S [2.00 6.01] -- sequential
3146-> GLN 76 HB1 - GLN 76 HG* 1.80 2.94 # NoRestrctn I [2.32 2.75] -- intra
3172-> SER 80 HA - SER 80 HB* 1.80 3.02 # FixedDistn I [0.00 0.00] -- intra
3190-> GLU 90 HN - GLY 91 HA* 1.80 5.90 # NoRestrctn S [2.00 3.55] -- sequential
3199-> GLU 93 HA - HIS 94 HB* 1.80 6.15 # NoRestrctn S [2.00 6.01] -- sequential
3200-> GLU 93 HB* - GLU 93 HG* 1.80 2.54 # NoRestrctn I [2.26 2.50] -- intra
3204-> HIS 94 HA - HIS 94 HB* 1.80 3.02 # FixedDistn I [0.00 0.00] -- intra
====== TOTAL ======: 124
table of distance constraints violations
Residual Violations greater than 0.10
1-> GLU 1 HA - ASP 2 HN [ 1.80 3.45] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.13 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 - 3 [ 0.05 .. 0.13]
8-> GLU 51 HN - GLU 51 HG2 [ 1.80 3.94] 0.60 0.63 0.00 0.62 0.00 0.63 0.00 0.00 0.00 0.59 0.62 0.00 0.00 0.63 0.00 0.00 0.00 0.62 0.00 0.00 - 8 [ 0.59 .. 0.63]
18-> PRO 6 HG3 - PHE 7 HN [ 1.80 4.70] 0.02 0.00 0.05 0.07 0.01 0.05 0.03 0.03 0.00 0.05 0.03 0.02 0.06 0.04 0.08 0.12 0.14 0.06 0.06 0.00 - 17 [ 0.01 .. 0.14]
36-> ARG 9 HN - ARG 9 HG2 [ 1.80 4.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.23 - 3 [ 0.23 .. 0.29]
37-> ARG 9 HN - ARG 9 HG3 [ 1.80 4.26] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.26 - 3 [ 0.23 .. 0.26]
38-> ARG 9 HN - ARG 9 HD3 [ 1.80 5.03] 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.04 0.00 1.00 0.00 0.01 0.00 0.99 0.00 0.08 0.00 0.00 0.00 1.01 - 8 [ 0.00 .. 1.01]
46-> ARG 9 HG3 - TYR 10 HN [ 1.80 4.52] 0.03 0.12 0.05 0.13 0.04 0.00 0.14 0.15 0.00 0.32 0.00 0.17 0.13 0.46 0.00 0.21 0.00 0.00 0.17 0.46 - 14 [ 0.03 .. 0.46]
47-> ARG 9 HD3 - TYR 10 HN [ 1.80 4.85] 1.01 1.09 0.93 1.08 0.96 0.25 1.78 1.80 1.01 1.42 0.35 1.83 0.97 1.30 0.27 1.87 0.24 1.09 1.83 1.16 - 20 [ 0.24 .. 1.87]
48-> ARG 9 HD2 - TYR 10 HN [ 1.80 5.21] 0.15 0.23 0.06 0.23 0.11 0.00 0.51 0.55 0.00 0.12 0.00 0.62 0.21 0.00 0.00 0.69 0.00 0.00 0.64 0.00 - 12 [ 0.06 .. 0.69]
63-> LEU 12 HB3 - ALA 13 HN [ 1.80 3.46] 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.04 0.00 0.11 0.00 0.00 0.13 - 5 [ 0.03 .. 0.16]
73-> GLN 14 HN - GLN 14 HG2 [ 1.80 3.65] 1.15 1.15 1.16 1.15 0.00 1.02 0.00 1.03 1.15 1.16 1.02 1.16 0.00 1.15 1.02 1.14 1.00 1.15 1.16 0.00 - 16 [ 1.00 .. 1.16]
74-> GLN 14 HN - GLN 14 HG3 [ 1.80 3.75] 0.46 0.47 0.46 0.46 0.00 0.47 0.00 0.48 0.47 0.47 0.50 0.47 0.00 0.47 0.49 0.46 0.53 0.45 0.47 0.00 - 16 [ 0.45 .. 0.53]
82-> GLU 15 HN - GLU 15 HG2 [ 1.80 3.99] 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 - 2 [ 0.57 .. 0.58]
87-> GLU 15 HB2 - HIS 16 HN [ 1.80 3.59] 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 0.19 - 2 [ 0.19 .. 0.28]
100-> LEU 17 HN - LEU 17 HG [ 1.80 3.71] 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.64 0.00 0.00 0.75 0.00 0.00 0.00 0.73 0.79 0.75 0.00 0.00 0.78 - 7 [ 0.61 .. 0.79]
103-> LEU 17 HB2 - LYS 18 HN [ 1.80 3.19] 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.49 0.00 0.00 0.73 0.00 0.00 0.00 0.74 0.69 0.70 0.00 0.00 0.61 - 7 [ 0.45 .. 0.74]
208-> GLU 30 HN - GLU 30 HG3 [ 1.80 4.26] 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 0.00 0.12 0.00 0.13 0.00 0.13 0.00 - 4 [ 0.12 .. 0.13]
214-> GLU 30 HB2 - GLU 31 HN [ 1.80 3.34] 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 0.43 0.00 0.48 0.00 0.46 0.00 - 4 [ 0.43 .. 0.50]
216-> GLU 31 HN - GLU 31 HB3 [ 1.80 3.48] 0.00 0.09 0.09 0.00 0.12 0.00 0.09 0.10 0.00 0.08 0.09 0.07 0.00 0.07 0.00 0.07 0.00 0.00 0.08 0.08 - 12 [ 0.07 .. 0.12]
221-> GLU 31 HB3 - LEU 32 HN [ 1.80 3.15] 0.00 0.38 0.42 0.00 0.50 0.00 0.40 0.49 0.00 0.35 0.46 0.48 0.00 0.28 0.00 0.37 0.00 0.00 0.48 0.39 - 12 [ 0.28 .. 0.50]
222-> GLU 51 HB2 - ARG 52 HN [ 1.80 3.52] 0.39 0.39 0.00 0.29 0.00 0.50 0.00 0.00 0.00 0.50 0.37 0.00 0.00 0.35 0.00 0.00 0.00 0.43 0.00 0.00 - 8 [ 0.29 .. 0.50]
223-> LEU 32 HN - LEU 32 HG [ 1.80 3.62] 0.71 0.00 0.00 0.00 0.00 0.00 0.68 0.71 0.00 0.00 0.00 0.75 0.74 0.00 0.73 0.00 0.00 0.72 0.77 0.00 - 8 [ 0.68 .. 0.77]
246-> GLU 34 HN - GLU 34 HB3 [ 1.80 3.48] 0.10 0.10 0.10 0.09 0.12 0.10 0.10 0.10 0.11 0.09 0.11 0.11 0.10 0.10 0.10 0.10 0.11 0.09 0.11 0.11 - 20 [ 0.09 .. 0.12]
247-> GLU 34 HN - GLU 34 HG2 [ 1.80 3.62] 0.08 0.08 0.03 0.10 0.08 0.08 0.08 0.05 0.06 0.08 0.10 0.10 0.06 0.04 0.04 0.07 0.07 0.05 0.08 0.06 - 20 [ 0.03 .. 0.10]
252-> GLU 34 HG2 - THR 35 HN [ 1.80 3.82] 1.54 1.51 1.47 1.52 1.44 1.51 1.50 1.44 1.45 1.57 1.45 1.39 1.55 1.42 1.45 1.42 1.41 1.48 1.43 1.47 - 20 [ 1.39 .. 1.57]
276-> VAL 40 HN - VAL 40 HB [ 1.80 3.53] 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.13 0.00 0.00 0.09 0.00 0.00 0.10 0.00 0.00 0.00 0.10 0.00 0.00 - 5 [ 0.09 .. 0.13]
313-> HIS 45 HN - HIS 45 HD2 [ 1.80 3.99] 1.04 1.12 0.91 1.06 1.13 1.08 1.10 1.10 1.23 1.00 1.04 1.03 1.14 1.04 1.11 1.03 1.15 0.97 1.09 1.13 - 20 [ 0.91 .. 1.23]
321-> HIS 45 HD2 - LEU 46 HN [ 1.80 5.15] 0.99 1.02 0.95 1.02 1.04 1.01 0.97 0.96 1.07 0.96 0.99 0.99 1.01 0.99 1.01 0.99 1.07 0.96 0.95 1.01 - 20 [ 0.95 .. 1.07]
343-> LYS 48 HN - LYS 48 HG2 [ 1.80 4.05] 0.43 0.45 0.45 0.44 0.45 0.45 0.49 0.48 0.46 0.43 0.58 0.46 0.45 0.58 0.45 0.45 0.44 0.43 0.44 0.46 - 20 [ 0.43 .. 0.58]
356-> LEU 49 HN - LEU 49 HB3 [ 1.80 3.38] 0.19 0.17 0.17 0.20 0.00 0.00 0.00 0.20 0.00 0.18 0.00 0.18 0.00 0.18 0.00 0.20 0.00 0.18 0.00 0.16 - 11 [ 0.16 .. 0.20]
357-> LEU 17 HD1* - LEU 49 HN [ 1.80 5.45] 0.11 0.04 0.17 0.32 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.12 0.00 0.36 0.00 0.46 0.00 0.12 0.00 0.00 - 9 [ 0.04 .. 0.46]
374-> GLU 51 HN - THR 56 HA [ 1.80 6.03] 0.09 0.00 0.00 0.14 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.11 0.00 0.00 0.00 - 5 [ 0.09 .. 0.73]
384-> GLU 51 HN - GLU 51 HG3 [ 1.80 3.88] 0.54 0.50 0.00 0.53 0.00 0.51 0.00 0.00 0.00 0.65 0.51 0.00 0.00 0.52 0.00 0.00 0.00 0.54 0.00 0.00 - 8 [ 0.50 .. 0.65]
390-> GLN 14 HB2 - GLU 15 HN [ 1.80 3.84] 0.04 0.05 0.02 0.06 0.00 0.05 0.00 0.02 0.02 0.06 0.04 0.06 0.00 0.11 0.04 0.01 0.05 0.03 0.02 0.00 - 16 [ 0.01 .. 0.11]
417-> ARG 55 HN - ARG 55 HD3 [ 1.80 5.12] 0.13 0.12 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.02 0.02 0.00 0.00 0.00 0.00 0.04 0.00 0.12 0.00 - 7 [ 0.01 .. 0.13]
418-> ARG 55 HN - ARG 55 HD2 [ 1.80 4.84] 0.00 0.00 0.46 0.15 0.00 0.53 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.15 0.00 0.00 - 6 [ 0.15 .. 0.53]
423-> ARG 55 HD2 - THR 56 HN [ 1.80 5.75] 0.00 0.00 1.30 1.33 0.00 1.41 1.32 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 1.36 0.00 0.00 - 6 [ 1.30 .. 1.41]
451-> ILE 60 HN - ILE 60 HG12 [ 1.80 3.43] 0.22 0.22 0.27 0.21 0.21 0.21 0.26 0.20 0.23 0.22 0.23 0.20 0.20 0.20 0.19 0.24 0.21 0.21 0.22 0.22 - 20 [ 0.19 .. 0.27]
498-> GLN 65 HN - GLN 65 HG2 [ 1.80 4.60] 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.23 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.12 .. 0.23]
499-> GLN 65 HN - GLN 65 HE21 [ 1.80 5.39] 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.55 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.55 .. 0.72]
503-> GLN 65 HE21 - GLU 68 HG3 [ 1.80 7.48] 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.04 0.33 0.00 0.54 0.25 0.09 0.12 0.00 0.37 0.00 0.05 0.00 0.13 - 10 [ 0.04 .. 0.54]
505-> GLN 65 HE22 - GLU 68 HG3 [ 1.80 6.90] 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 - 4 [ 1.90 .. 2.31]
513-> GLN 65 HE21 - GLY 66 HN [ 1.80 5.44] 0.72 0.74 0.70 1.47 0.19 0.71 0.70 0.73 0.70 0.20 0.12 1.38 0.73 0.72 0.70 1.40 0.73 0.72 0.74 0.72 - 20 [ 0.12 .. 1.47]
531-> GLU 68 HN - GLU 68 HG3 [ 1.80 3.61] 0.76 0.75 0.75 0.00 0.20 0.79 0.21 0.77 0.77 0.74 0.77 0.00 0.76 0.80 0.73 0.00 0.29 0.75 0.19 0.75 - 17 [ 0.19 .. 0.80]
532-> GLU 68 HN - GLU 68 HG2 [ 1.80 3.99] 0.68 0.59 0.68 0.00 0.00 0.68 0.00 0.69 0.69 0.57 0.69 0.00 0.68 0.69 0.59 0.00 0.00 0.58 0.00 0.60 - 13 [ 0.57 .. 0.69]
540-> GLU 68 HB2 - VAL 69 HN [ 1.80 3.66] 0.26 0.15 0.34 0.00 0.00 0.16 0.00 0.33 0.27 0.15 0.33 0.00 0.26 0.20 0.25 0.00 0.00 0.19 0.00 0.22 - 13 [ 0.15 .. 0.34]
550-> VAL 40 HG2* - ALA 70 HN [ 1.80 4.26] 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.56 0.00 0.00 1.43 0.00 0.00 1.33 0.00 0.00 0.00 1.43 0.00 0.00 - 5 [ 1.00 .. 1.56]
557-> ARG 71 HN - ARG 71 HG3 [ 1.80 4.27] 0.00 0.26 0.00 0.27 0.25 0.00 0.26 0.24 0.26 0.24 0.00 0.22 0.25 0.00 0.25 0.24 0.24 0.27 0.25 0.22 - 15 [ 0.22 .. 0.27]
562-> ARG 71 HG3 - GLU 72 HN [ 1.80 4.22] 0.00 0.65 0.00 0.70 0.78 0.00 0.72 0.59 0.72 0.71 0.00 0.56 0.71 0.00 0.56 0.57 0.79 0.72 0.71 0.56 - 15 [ 0.56 .. 0.79]
565-> GLU 72 HN - GLU 73 HG2 [ 1.80 5.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 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 [ 1.64 .. 1.64]
571-> GLU 73 HN - GLU 73 HG2 [ 1.80 3.78] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 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 [ 0.91 .. 0.91]
603-> LYS 77 HG2 - ASP 78 HN [ 1.80 4.68] 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.38 .. 0.45]
635-> LEU 82 HN - LEU 82 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 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.26 .. 0.26]
647-> GLN 83 HN - GLN 83 HG2 [ 1.80 4.40] 0.27 0.27 0.00 0.27 0.00 0.28 0.00 0.26 0.28 0.26 0.00 0.26 0.00 0.00 0.28 0.25 0.00 0.26 0.27 0.00 - 12 [ 0.25 .. 0.28]
648-> GLN 83 HN - GLN 83 HG3 [ 1.80 3.93] 0.33 0.31 0.00 0.33 0.00 0.34 0.00 0.34 0.32 0.34 0.00 0.35 0.00 0.00 0.34 0.33 0.00 0.33 0.34 0.00 - 12 [ 0.31 .. 0.35]
649-> GLN 83 HN - GLN 83 HE21 [ 1.80 6.29] 0.30 0.29 0.00 0.30 0.00 0.30 0.00 0.30 0.30 0.30 0.00 0.30 0.00 0.00 0.31 0.28 0.00 0.30 0.30 0.00 - 12 [ 0.28 .. 0.31]
662-> ASP 84 HN - ASP 84 HB3 [ 1.80 3.40] 0.14 0.17 0.16 0.15 0.15 0.16 0.15 0.15 0.15 0.16 0.16 0.15 0.16 0.16 0.15 0.16 0.16 0.15 0.16 0.16 - 20 [ 0.14 .. 0.17]
676-> LYS 86 HN - LYS 86 HG2 [ 1.80 4.38] 0.11 0.13 0.00 0.12 0.16 0.12 0.00 0.11 0.13 0.14 0.11 0.12 0.11 0.12 0.13 0.11 0.12 0.12 0.11 0.12 - 18 [ 0.11 .. 0.16]
677-> LYS 86 HN - LYS 86 HG3 [ 1.80 3.92] 0.55 0.56 0.00 0.55 0.50 0.55 0.00 0.55 0.54 0.52 0.56 0.53 0.54 0.53 0.56 0.56 0.55 0.55 0.55 0.55 - 18 [ 0.50 .. 0.56]
678-> LYS 86 HN - LYS 86 HD2 [ 1.80 4.54] 0.35 0.35 0.34 0.34 1.37 0.36 0.33 0.36 0.34 1.38 0.36 0.30 0.35 0.29 0.36 0.34 0.34 0.36 0.35 0.31 - 20 [ 0.29 .. 1.38]
687-> LYS 86 HD3 - LEU 87 HN [ 1.80 5.04] 0.00 0.00 0.13 0.00 0.55 0.00 0.13 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.13 .. 0.55]
690-> LYS 86 HG3 - LEU 87 HN [ 1.80 3.39] 1.39 1.40 0.00 1.35 1.46 1.35 0.00 1.39 1.35 1.47 1.36 1.43 1.35 1.34 1.37 1.40 1.35 1.38 1.37 1.37 - 18 [ 1.34 .. 1.47]
695-> LEU 87 HG - LYS 88 HN [ 1.80 3.77] 0.74 0.76 0.74 0.72 0.76 0.75 0.70 0.70 0.71 0.77 0.74 0.69 0.75 0.75 0.74 0.75 0.77 0.75 0.74 0.76 - 20 [ 0.69 .. 0.77]
696-> LEU 87 HD1* - LYS 88 HN [ 1.80 4.39] 0.20 0.23 0.19 0.20 0.16 0.22 0.24 0.19 0.20 0.22 0.21 0.13 0.23 0.20 0.22 0.19 0.20 0.18 0.20 0.27 - 20 [ 0.13 .. 0.27]
697-> LYS 88 HN - LYS 88 HB3 [ 1.80 3.13] 0.47 0.46 0.46 0.46 0.48 0.47 0.47 0.45 0.47 0.47 0.46 0.47 0.46 0.46 0.47 0.46 0.47 0.47 0.45 0.48 - 20 [ 0.45 .. 0.48]
704-> LYS 88 HG2 - ALA 89 HN [ 1.80 4.45] 0.69 0.66 0.69 0.68 0.69 0.65 0.72 0.68 0.63 0.65 0.65 0.63 0.66 0.64 0.67 0.69 0.70 0.67 0.71 0.61 - 20 [ 0.61 .. 0.72]
705-> LYS 88 HG3 - ALA 89 HN [ 1.80 4.38] 0.20 0.15 0.18 0.19 0.17 0.15 0.18 0.18 0.14 0.14 0.13 0.13 0.18 0.16 0.16 0.18 0.21 0.17 0.20 0.10 - 20 [ 0.10 .. 0.21]
706-> LYS 88 HD2 - ALA 89 HN [ 1.80 4.75] 0.38 0.40 0.40 0.37 0.45 0.40 0.43 0.35 0.30 0.33 0.37 0.31 0.40 0.34 0.37 0.42 0.50 0.41 0.35 0.31 - 20 [ 0.30 .. 0.50]
721-> GLU 90 HG2 - GLY 91 HN [ 1.80 5.06] 0.14 0.11 0.17 0.16 0.11 0.10 0.12 0.16 0.10 0.17 0.16 0.06 0.10 0.16 0.14 0.21 0.23 0.10 0.24 0.10 - 20 [ 0.06 .. 0.24]
726-> LEU 92 HN - LEU 92 HG [ 1.80 3.01] 0.00 0.00 0.00 0.00 1.43 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 - 1 [ 1.43 .. 1.43]
727-> LEU 92 HN - LEU 92 HD2* [ 1.80 4.12] 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 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
732-> GLU 93 HN - GLU 93 HG2 [ 1.80 4.47] 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.21 0.05 0.00 0.00 0.04 0.32 0.00 0.00 0.20 0.10 0.00 0.05 0.00 - 8 [ 0.04 .. 0.32]
733-> GLU 93 HN - GLU 93 HG3 [ 1.80 4.47] 0.00 0.00 0.30 0.00 0.00 0.00 0.05 0.26 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.24 0.00 0.00 0.00 - 6 [ 0.02 .. 0.30]
741-> LEU 17 HA - ALA 22 HN [ 1.80 4.35] 0.95 0.93 0.75 0.27 1.00 0.00 0.96 0.69 0.86 1.18 0.97 1.09 0.90 0.39 0.89 0.00 0.82 0.25 0.85 0.00 - 17 [ 0.25 .. 1.18]
746-> PHE 7 HN - TYR 39 HE* [ 1.80 5.57] 0.00 0.00 0.22 0.00 0.35 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 - 4 [ 0.13 .. 1.50]
748-> PHE 7 HN - ARG 9 HD2 [ 1.80 6.92] 0.00 0.00 0.00 0.13 0.00 0.00 0.63 0.46 0.00 0.80 0.00 0.66 0.00 0.47 0.00 1.33 0.00 0.00 1.18 0.14 - 9 [ 0.13 .. 1.33]
757-> THR 8 HN - ARG 9 HG2 [ 1.80 5.22] 1.05 1.15 1.16 1.25 0.96 0.00 1.16 1.19 1.01 2.03 0.00 1.24 1.08 1.98 0.00 1.16 0.00 0.93 1.24 2.00 - 16 [ 0.93 .. 2.03]
760-> ARG 9 HN - LEU 28 HD2* [ 1.80 5.83] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.23 - 3 [ 0.23 .. 0.23]
770-> HIS 16 HN - LEU 17 HG [ 1.80 5.87] 0.00 0.00 0.00 0.00 0.00 1.23 0.00 1.21 0.00 0.00 1.08 0.00 0.00 0.00 1.07 1.27 1.17 0.00 0.00 1.25 - 7 [ 1.07 .. 1.27]
772-> HIS 16 HN - LEU 17 HD2* [ 1.80 5.67] 0.00 0.02 0.00 0.04 0.00 0.66 0.02 0.57 0.00 0.00 0.56 0.00 0.00 0.00 0.58 0.66 0.64 0.02 0.00 0.65 - 14 [ 0.00 .. 0.66]
773-> LEU 12 HD1* - HIS 16 HN [ 1.80 4.75] 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 1.82 1.99 0.00 0.00 1.80 0.00 1.77 0.00 0.00 1.66 - 6 [ 1.66 .. 1.99]
783-> LEU 17 HD2* - ASP 20 HN [ 1.80 6.20] 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 0.15 0.02 0.18 0.00 0.00 0.59 - 5 [ 0.02 .. 0.59]
784-> LEU 17 HD2* - ASN 21 HN [ 1.80 5.75] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 1.35 0.00 0.00 0.00 1.27 0.61 1.31 0.00 0.00 1.39 - 6 [ 0.01 .. 1.39]
787-> HIS 16 HE1 - ASN 21 HD22 [ 1.80 7.48] 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 0.51 0.00 0.00 0.00 0.00 - 1 [ 0.51 .. 0.51]
789-> ASN 21 HD21 - ARG 24 HN [ 1.80 5.47] 0.11 0.00 0.22 0.29 0.09 0.16 0.10 0.33 0.13 0.00 0.24 0.15 0.17 0.17 0.29 0.56 0.13 0.17 0.24 0.11 - 18 [ 0.09 .. 0.56]
790-> ASN 21 HD22 - ARG 24 HN [ 1.80 6.53] 0.12 0.00 0.21 0.20 0.08 0.03 0.08 0.31 0.13 0.00 0.26 0.18 0.17 0.12 0.32 0.37 0.08 0.09 0.23 0.00 - 17 [ 0.03 .. 0.37]
800-> ASN 21 HD21 - ARG 24 HG2 [ 1.80 5.32] 0.16 0.17 0.33 0.54 0.28 0.31 0.24 0.73 0.40 0.07 0.34 0.18 0.27 0.30 0.45 1.37 0.45 0.29 0.25 0.24 - 20 [ 0.07 .. 1.37]
802-> ASN 21 HD22 - ARG 24 HG2 [ 1.80 6.45] 0.00 0.00 0.06 0.27 0.05 0.00 0.00 0.54 0.23 0.00 0.15 0.00 0.02 0.05 0.28 0.80 0.21 0.00 0.03 0.00 - 12 [ 0.02 .. 0.80]
803-> ASN 21 HD22 - ARG 24 HG3 [ 1.80 5.54] 0.03 0.00 0.19 0.33 0.12 0.00 0.06 0.53 0.28 0.00 0.27 0.14 0.13 0.10 0.38 0.63 0.30 0.04 0.18 0.00 - 16 [ 0.03 .. 0.63]
805-> ASN 21 HD21 - ARG 24 HG3 [ 1.80 5.04] 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.67 0.07 0.00 0.00 0.00 - 5 [ 0.07 .. 0.67]
808-> ALA 13 HN - ALA 25 HB* [ 1.80 5.51] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.15 0.00 0.00 0.00 0.21 0.00 0.35 0.00 0.00 0.00 - 5 [ 0.00 .. 0.35]
811-> LEU 17 HD2* - SER 23 HN [ 1.80 6.04] 0.00 0.00 0.00 0.00 0.19 1.27 0.04 2.83 0.15 0.20 3.13 0.23 0.03 0.00 3.03 1.47 2.94 0.00 0.00 1.48 - 13 [ 0.03 .. 3.13]
818-> HIS 16 HD2 - ALA 25 HN [ 1.80 6.14] 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 0.72 0.00 0.00 0.00 0.00 - 1 [ 0.72 .. 0.72]
831-> LEU 26 HN - LEU 49 HD2* [ 1.80 3.81] 0.22 0.20 0.42 0.78 0.00 0.00 0.00 0.65 0.00 0.34 0.00 0.39 0.00 0.35 0.00 0.68 0.00 0.75 0.00 0.33 - 11 [ 0.20 .. 0.78]
835-> ALA 27 HN - LEU 49 HD2* [ 1.80 5.45] 0.63 0.69 0.85 1.09 0.00 0.00 0.00 1.22 0.00 0.84 0.00 0.83 0.00 0.87 0.00 1.09 0.00 1.14 0.00 0.68 - 11 [ 0.63 .. 1.22]
851-> LEU 26 HD1* - GLU 30 HN [ 1.80 5.32] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.66 .. 1.39]
856-> GLU 31 HN - LEU 32 HG [ 1.80 5.39] 1.43 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 0.00 0.00 1.41 1.58 0.00 1.60 0.00 0.00 1.41 1.47 0.00 - 8 [ 1.38 .. 1.60]
860-> LEU 12 HD1* - GLU 15 HN [ 1.80 5.69] 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.82 0.78 0.00 0.00 0.81 0.00 0.78 0.00 0.00 0.76 - 6 [ 0.76 .. 0.82]
866-> GLU 34 HN - THR 35 HG2* [ 1.80 5.00] 0.00 0.00 1.09 0.00 0.95 0.00 0.00 1.10 1.00 0.00 0.98 1.02 0.00 0.99 1.06 1.01 0.98 0.00 1.07 1.01 - 12 [ 0.95 .. 1.10]
871-> LEU 32 HD2* - ASP 36 HN [ 1.80 6.08] 0.51 0.00 0.00 0.00 0.00 0.00 0.59 0.45 0.00 0.00 0.00 0.38 0.51 0.00 0.32 0.00 0.00 0.45 0.36 0.00 - 8 [ 0.32 .. 0.59]
873-> GLU 34 HG2 - ASP 36 HN [ 1.80 5.34] 1.42 1.48 1.74 1.44 1.75 1.38 1.41 1.80 1.70 1.50 1.70 1.73 1.40 1.73 1.75 1.82 1.75 1.36 1.75 1.73 - 20 [ 1.36 .. 1.82]
891-> TYR 43 HN - LEU 82 HD2* [ 1.80 4.99] 0.00 0.06 0.09 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.87 0.00 0.17 0.00 0.25 0.00 - 7 [ 0.06 .. 0.87]
897-> HIS 45 HN - LEU 82 HD2* [ 1.80 5.13] 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 0.49 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.49 .. 0.49]
904-> LEU 46 HN - LEU 49 HB3 [ 1.80 6.57] 0.42 0.34 0.47 0.50 0.00 0.00 0.00 0.55 0.00 0.53 0.00 0.49 0.00 0.36 0.00 0.63 0.00 0.44 0.00 0.13 - 11 [ 0.13 .. 0.63]
911-> LEU 26 HD1* - LEU 49 HN [ 1.80 5.45] 0.00 0.00 0.00 0.00 0.36 0.81 0.65 1.14 0.29 0.00 0.75 0.00 0.28 0.00 1.94 0.00 0.60 0.00 0.52 0.00 - 10 [ 0.28 .. 1.94]
913-> LEU 26 HD1* - TYR 50 HN [ 1.80 5.15] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.06 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.00 .. 0.85]
917-> LEU 49 HD1* - LEU 53 HN [ 1.80 4.82] 1.92 1.86 1.85 2.03 0.00 0.00 0.00 1.79 0.00 1.83 0.00 1.86 0.00 1.90 0.00 2.03 0.00 1.83 0.00 1.81 - 11 [ 1.79 .. 2.03]
919-> ASP 54 HN - THR 56 HN [ 1.80 5.37] 0.37 0.30 0.44 0.30 0.00 0.00 0.29 0.58 0.00 0.00 0.31 0.00 0.00 0.00 0.50 0.00 0.43 0.17 0.34 0.00 - 11 [ 0.17 .. 0.58]
924-> LEU 53 HG - ARG 55 HN [ 1.80 5.57] 0.45 0.35 0.37 0.00 0.00 0.30 0.01 0.11 0.00 0.16 0.01 0.00 0.00 0.00 0.12 0.00 0.06 0.00 0.06 0.00 - 11 [ 0.01 .. 0.45]
925-> LEU 26 HD2* - ARG 55 HN [ 1.80 7.06] 0.13 0.00 0.49 0.34 0.08 0.86 0.40 0.46 0.10 0.00 1.31 0.16 0.11 0.29 2.95 0.12 0.74 0.41 0.61 0.37 - 18 [ 0.08 .. 2.95]
929-> ASP 57 HN - ILE 60 HG12 [ 1.80 5.51] 1.46 1.42 1.59 1.23 1.39 1.49 1.36 1.34 1.45 1.26 1.37 1.37 1.49 1.32 1.34 1.21 1.29 1.49 1.34 1.53 - 20 [ 1.21 .. 1.59]
931-> GLU 51 HG2 - THR 56 HN [ 1.80 6.49] 1.78 1.30 0.00 1.49 0.00 1.22 0.09 1.53 0.00 0.00 1.59 0.00 0.00 1.02 0.06 0.00 0.32 1.39 0.00 0.00 - 11 [ 0.06 .. 1.78]
943-> THR 56 HG2* - ILE 60 HN [ 1.80 4.93] 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.63 0.00 0.00 0.69 0.00 0.87 0.00 0.67 - 6 [ 0.63 .. 0.87]
951-> TYR 63 HN - LEU 82 HD2* [ 1.80 5.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 - 1 [ 2.02 .. 2.02]
953-> ILE 60 HD1* - TYR 63 HN [ 1.80 6.39] 0.35 0.40 0.30 0.38 0.26 0.33 0.23 0.47 0.27 0.35 0.29 0.40 0.29 0.22 0.36 0.33 0.32 0.38 0.37 0.37 - 20 [ 0.22 .. 0.47]
956-> TYR 63 HN - LYS 86 HB3 [ 1.80 5.53] 1.22 1.35 0.00 1.11 1.18 1.11 0.00 1.15 1.20 1.11 1.33 1.14 1.20 1.22 1.23 1.21 1.30 1.09 1.24 1.25 - 18 [ 1.09 .. 1.35]
964-> GLN 65 HE21 - VAL 69 HG2* [ 1.80 6.08] 1.60 1.83 1.70 2.10 0.00 1.62 1.70 1.65 1.73 0.00 0.00 1.13 1.67 1.70 1.80 1.10 1.62 1.72 1.69 1.95 - 17 [ 1.10 .. 2.10]
965-> GLN 65 HE21 - VAL 69 HG1* [ 1.80 5.12] 1.76 2.32 1.84 2.31 0.00 1.79 2.07 2.07 2.09 0.00 0.00 4.57 1.96 2.01 2.37 4.51 1.64 2.25 1.93 2.72 - 17 [ 1.64 .. 4.57]
966-> VAL 33 HG2* - GLN 65 HE21 [ 1.80 7.48] 0.84 0.76 0.87 0.00 0.00 0.82 0.74 0.89 0.85 0.00 0.00 0.00 0.68 0.72 0.70 0.00 0.79 0.67 0.54 0.70 - 14 [ 0.54 .. 0.89]
967-> PRO 37 HB2 - GLN 65 HE22 [ 1.80 6.07] 1.80 2.01 2.17 1.13 0.00 2.00 2.29 2.43 2.04 0.00 0.00 1.72 1.78 2.22 2.22 1.81 1.95 1.94 1.97 3.37 - 17 [ 1.13 .. 3.37]
968-> GLN 65 HE22 - VAL 69 HG2* [ 1.80 6.33] 1.24 1.43 1.37 2.12 0.00 1.28 1.36 1.25 1.38 0.00 0.24 1.13 1.31 1.32 1.36 1.11 1.26 1.30 1.32 1.53 - 18 [ 0.24 .. 2.12]
969-> GLN 65 HE22 - VAL 69 HG1* [ 1.80 4.83] 1.51 2.03 1.63 2.98 1.39 1.56 1.83 1.76 1.85 0.00 1.08 4.97 1.71 1.73 2.04 4.91 1.41 1.93 1.67 2.42 - 19 [ 1.08 .. 4.97]
970-> VAL 33 HG2* - GLN 65 HE22 [ 1.80 7.48] 1.27 1.12 1.29 0.00 0.55 1.24 1.00 1.17 1.26 0.00 0.00 0.00 1.03 1.19 0.99 0.00 1.11 1.04 0.80 1.07 - 15 [ 0.55 .. 1.29]
977-> VAL 40 HG2* - ILE 67 HN [ 1.80 6.47] 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.88 0.00 0.00 0.90 0.00 0.00 0.77 0.00 0.00 0.00 0.75 0.00 0.00 - 5 [ 0.75 .. 0.90]
981-> ILE 67 HN - GLU 68 HG3 [ 1.80 5.35] 1.61 1.75 1.54 0.00 0.82 1.58 0.75 1.61 1.60 1.66 1.57 0.00 1.56 1.63 1.69 0.00 0.92 1.75 0.70 1.75 - 17 [ 0.70 .. 1.75]
982-> PRO 37 HB3 - GLN 65 HE22 [ 1.80 5.70] 2.91 3.13 3.30 1.19 0.83 3.04 3.49 3.77 3.04 0.39 0.00 2.09 2.90 3.25 3.51 1.90 3.23 2.97 3.25 2.78 - 19 [ 0.39 .. 3.77]
986-> GLU 68 HN - ARG 71 HG2 [ 1.80 6.80] 0.00 2.09 0.00 2.01 1.38 0.00 2.05 2.01 2.06 2.01 0.00 1.20 2.01 0.00 2.10 1.27 1.43 2.05 2.00 1.85 - 15 [ 1.20 .. 2.10]
991-> VAL 69 HN - LEU 82 HD1* [ 1.80 6.03] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.23 .. 0.23]
995-> ALA 70 HN - LEU 82 HD1* [ 1.80 5.15] 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 0.64 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.64 .. 0.64]
996-> ALA 70 HN - LEU 79 HB2 [ 1.80 5.60] 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 0.00 - 1 [ 0.13 .. 0.13]
1008-> VAL 69 HB - GLU 73 HN [ 1.80 5.04] 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 - 3 [ 0.35 .. 0.42]
1013-> VAL 40 HG2* - GLY 74 HN [ 1.80 4.50] 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.12 0.00 0.00 0.31 0.00 0.00 0.27 0.00 0.00 0.00 0.16 0.00 0.00 - 5 [ 0.12 .. 0.53]
1018-> GLN 76 HE22 - LEU 79 HD2* [ 1.80 5.28] 0.84 1.27 0.58 1.02 0.60 0.84 0.90 0.93 1.46 0.94 0.61 0.91 0.66 0.66 1.15 0.81 0.60 0.83 1.14 1.32 - 20 [ 0.58 .. 1.46]
1021-> VAL 40 HG1* - ASP 78 HN [ 1.80 5.92] 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 0.14 0.00 0.00 - 2 [ 0.14 .. 0.35]
1026-> ARG 71 HG2 - LEU 79 HN [ 1.80 7.48] 1.03 0.90 1.11 1.41 1.20 0.66 1.15 1.26 1.22 1.32 1.16 1.60 1.36 1.14 0.57 1.43 1.44 1.24 1.09 0.81 - 20 [ 0.57 .. 1.60]
1031-> SER 80 HA - GLN 83 HE21 [ 1.80 5.98] 0.00 0.00 0.00 0.19 0.00 0.23 0.00 0.00 0.14 0.01 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.03 0.00 - 6 [ 0.01 .. 0.30]
1032-> LEU 79 HG - GLN 83 HE21 [ 1.80 5.58] 1.21 0.84 0.00 1.12 0.00 1.35 0.00 1.09 0.96 1.10 0.00 0.97 0.00 0.00 1.11 1.01 0.00 1.13 1.14 0.00 - 12 [ 0.84 .. 1.35]
1033-> GLN 83 HN - ASP 84 HB3 [ 1.80 6.24] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.12 .. 0.12]
1034-> LEU 79 HD1* - GLN 83 HE21 [ 1.80 4.26] 2.48 1.97 0.00 2.14 0.00 2.39 0.00 2.34 1.96 2.27 0.00 2.18 0.00 0.00 2.07 2.20 0.00 2.27 2.24 0.00 - 12 [ 1.96 .. 2.48]
1035-> ILE 67 HG12 - GLN 83 HE21 [ 1.80 6.88] 0.36 0.44 0.00 0.24 0.00 0.21 0.00 0.39 0.21 0.40 0.00 0.15 0.00 0.00 0.39 0.26 0.00 0.34 0.22 0.00 - 12 [ 0.15 .. 0.44]
1036-> LEU 79 HG - GLN 83 HE22 [ 1.80 5.32] 0.85 0.42 0.00 0.72 0.00 0.95 0.00 0.75 0.53 0.69 0.00 0.58 0.00 0.00 0.71 0.60 0.00 0.76 0.75 0.00 - 12 [ 0.42 .. 0.95]
1037-> LEU 79 HD2* - GLN 83 HE22 [ 1.80 4.84] 1.32 0.88 0.00 1.19 0.00 1.40 0.00 1.22 0.96 1.10 0.00 1.06 0.00 0.00 1.16 1.09 0.00 1.19 1.25 0.00 - 12 [ 0.88 .. 1.40]
1038-> ILE 67 HG2* - GLN 83 HE22 [ 1.80 5.72] 0.76 0.75 0.00 0.80 0.00 0.66 0.00 0.87 0.59 0.79 0.00 0.59 0.00 0.00 0.64 0.55 0.00 0.66 0.67 0.00 - 12 [ 0.55 .. 0.87]
1039-> ASP 84 HN - LYS 86 HG3 [ 1.80 6.83] 1.35 1.51 0.00 1.32 1.38 1.36 0.00 1.34 1.36 1.44 1.12 1.46 1.24 1.12 1.39 1.48 1.37 1.31 1.43 1.13 - 18 [ 1.12 .. 1.51]
1040-> ASP 84 HN - LYS 86 HD3 [ 1.80 7.48] 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.00 .. 0.25]
1042-> ASP 84 HN - LEU 87 HD2* [ 1.80 5.32] 0.95 1.15 0.96 1.06 0.99 1.11 1.24 0.90 1.13 0.87 1.00 0.86 1.04 1.11 0.99 0.99 1.16 0.88 1.10 1.11 - 20 [ 0.86 .. 1.24]
1044-> ALA 85 HN - LEU 87 HD2* [ 1.80 5.67] 1.06 1.16 0.92 1.12 1.18 1.17 1.01 1.01 1.16 1.04 1.12 0.99 1.14 1.27 1.06 1.07 1.19 1.05 1.14 1.23 - 20 [ 0.92 .. 1.27]
1045-> ALA 85 HN - LYS 86 HG2 [ 1.80 4.82] 2.24 2.33 0.00 2.21 2.32 2.23 0.00 2.19 2.28 2.32 2.23 2.24 2.17 2.19 2.25 2.24 2.23 2.19 2.23 2.23 - 18 [ 2.17 .. 2.33]
1048-> TYR 44 HE* - ALA 85 HN [ 1.80 4.90] 0.03 0.54 0.34 0.00 0.00 0.38 1.30 0.00 0.00 0.11 0.00 0.12 0.60 0.00 0.00 0.00 1.13 0.02 1.20 0.00 - 11 [ 0.02 .. 1.30]
1049-> TYR 44 HD* - ALA 85 HN [ 1.80 6.20] 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 0.19 0.00 0.30 0.00 - 3 [ 0.19 .. 0.42]
1052-> THR 56 HG2* - ALA 89 HN [ 1.80 5.96] 0.07 0.00 0.57 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.57 0.27 0.00 0.01 0.94 0.00 1.42 0.00 0.83 - 9 [ 0.01 .. 1.42]
1053-> ALA 89 HN - LEU 92 HD1* [ 1.80 5.65] 0.00 0.00 0.00 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 - 1 [ 0.28 .. 0.28]
1054-> ILE 60 HD1* - ALA 89 HN [ 1.80 4.21] 1.35 1.18 1.00 1.31 1.16 1.33 0.93 1.55 1.14 1.13 1.21 1.34 1.16 0.85 1.29 1.25 1.29 1.33 1.29 1.19 - 20 [ 0.85 .. 1.55]
1055-> THR 56 HG2* - GLU 90 HN [ 1.80 5.20] 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.37 0.00 0.00 1.70 0.00 1.94 0.00 1.68 - 6 [ 1.06 .. 1.94]
1058-> LEU 87 HD1* - GLU 90 HN [ 1.80 5.37] 1.11 1.14 1.10 1.11 1.20 1.07 1.04 1.09 1.15 1.20 1.09 1.30 1.12 1.11 1.07 1.40 1.21 1.10 1.24 1.09 - 20 [ 1.04 .. 1.40]
1060-> GLY 91 HN - LEU 92 HG [ 1.80 4.62] 0.00 0.00 0.00 0.00 2.37 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 [ 2.37 .. 2.37]
1063-> LEU 87 HD1* - GLY 91 HN [ 1.80 6.20] 0.49 0.36 0.49 0.53 0.73 0.43 0.37 0.58 0.44 0.40 0.50 0.58 0.51 0.52 0.45 1.20 0.83 0.46 1.00 0.33 - 20 [ 0.33 .. 1.20]
1066-> THR 56 HG2* - LEU 92 HN [ 1.80 5.20] 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 0.00 0.00 0.16 - 1 [ 0.16 .. 0.16]
1070-> TYR 10 HN - TYR 39 HE* [ 1.80 6.06] 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.39 .. 0.39]
1074-> ALA 13 HN - HIS 16 HD2 [ 1.80 5.98] 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 1.02 0.00 0.00 0.00 0.00 - 1 [ 1.02 .. 1.02]
1077-> GLN 14 HN - LEU 17 HD1* [ 1.80 5.90] 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 0.00 1.13 1.01 1.09 0.00 0.00 0.82 - 5 [ 0.82 .. 1.13]
1080-> GLN 14 HN - LEU 17 HG [ 1.80 5.32] 0.00 0.00 0.00 0.00 0.00 2.35 0.00 2.35 0.00 0.00 2.29 0.00 0.00 0.00 2.24 2.34 2.26 0.00 0.00 2.01 - 7 [ 2.01 .. 2.35]
1085-> LEU 17 HN - ALA 22 HB* [ 1.80 6.23] 0.66 0.77 0.44 0.15 0.70 0.00 0.63 0.35 0.53 1.06 0.52 0.80 0.62 0.20 0.65 0.00 0.53 0.14 0.62 0.00 - 17 [ 0.14 .. 1.06]
1094-> GLU 31 HN - LEU 46 HD1* [ 1.80 6.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.30 0.00 0.00 0.28 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.20 0.00 - 5 [ 0.13 .. 0.30]
1095-> GLU 31 HN - LEU 46 HD2* [ 1.80 5.91] 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.45 0.00 0.00 0.27 0.21 0.00 0.00 0.12 0.00 0.07 0.00 0.17 0.00 - 7 [ 0.07 .. 0.45]
1098-> GLU 31 HN - THR 35 HG2* [ 1.80 6.04] 0.00 0.00 1.65 0.00 1.54 0.00 0.00 1.98 1.59 0.00 1.64 1.71 0.00 1.60 1.96 1.66 1.73 0.00 1.74 1.49 - 12 [ 1.49 .. 1.98]
1100-> ARG 9 HE - LEU 32 HN [ 1.80 6.20] 2.15 2.04 2.39 1.97 2.64 0.00 0.75 0.91 2.60 0.98 1.05 0.40 2.29 0.63 0.00 0.35 1.55 2.77 0.41 0.50 - 18 [ 0.35 .. 2.77]
1103-> LEU 32 HD2* - THR 35 HN [ 1.80 6.36] 0.06 0.00 0.00 0.00 0.00 0.00 0.09 0.13 0.00 0.00 0.00 0.17 0.06 0.00 0.01 0.00 0.00 0.02 0.11 0.00 - 8 [ 0.01 .. 0.17]
1105-> VAL 40 HN - VAL 69 HG2* [ 1.80 4.95] 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 - 3 [ 0.15 .. 0.75]
1119-> LEU 49 HN - GLU 51 HG3 [ 1.80 7.23] 0.67 0.77 0.00 0.64 0.00 0.67 0.00 0.00 0.00 0.54 0.61 0.00 0.00 0.63 0.00 0.00 0.00 0.82 0.00 0.00 - 8 [ 0.54 .. 0.82]
1126-> GLU 51 HG3 - THR 56 HN [ 1.80 7.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.11 .. 1.01]
1143-> PRO 37 HB3 - GLN 65 HE21 [ 1.80 6.57] 2.62 2.90 3.03 1.04 0.00 2.79 3.37 3.51 2.82 0.00 0.00 2.03 2.69 2.94 3.33 1.77 3.00 2.79 3.07 2.70 - 17 [ 1.04 .. 3.51]
1144-> VAL 33 HG1* - GLY 66 HN [ 1.80 7.14] 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.14 0.00 0.00 0.00 0.01 0.00 0.00 0.30 0.00 0.19 0.00 0.18 0.00 - 6 [ 0.01 .. 0.30]
1145-> VAL 40 HG2* - GLY 66 HN [ 1.80 7.48] 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.17 0.00 0.00 0.29 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.08 .. 0.29]
1151-> GLN 65 HE21 - VAL 69 HN [ 1.80 5.84] 2.26 2.63 2.37 3.49 0.00 2.26 2.53 2.46 2.52 0.00 1.36 3.09 2.39 2.44 2.70 3.11 2.03 2.56 2.43 2.86 - 18 [ 1.36 .. 3.49]
1157-> VAL 40 HB - GLY 74 HN [ 1.80 6.03] 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.14 0.00 0.00 0.00 0.03 0.00 0.00 - 4 [ 0.03 .. 0.24]
1162-> LEU 79 HN - LEU 82 HD1* [ 1.80 5.81] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.11 .. 1.11]
1167-> LEU 82 HN - GLN 83 HG3 [ 1.80 6.03] 0.72 0.78 0.00 0.74 0.00 0.75 0.00 0.73 0.84 0.76 0.00 0.72 0.00 0.00 0.78 0.68 0.00 0.69 0.72 0.00 - 12 [ 0.68 .. 0.84]
1170-> ALA 85 HN - LYS 86 HG3 [ 1.80 6.12] 1.12 1.19 0.00 1.08 1.07 1.12 0.00 1.11 1.14 1.14 1.09 1.13 1.05 1.03 1.14 1.13 1.10 1.09 1.13 1.06 - 18 [ 1.03 .. 1.19]
1178-> PRO 6 HA - ARG 9 HE [ 1.80 5.55] 0.11 0.83 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.11 .. 1.32]
1180-> ARG 9 HE - GLU 31 HB3 [ 1.80 7.10] 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 - 3 [ 0.27 .. 0.56]
1184-> ARG 9 HE - LEU 32 HD1* [ 1.80 6.57] 0.00 0.81 0.29 0.37 0.24 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.24 .. 0.81]
1191-> LEU 26 HD2* - ARG 55 HE [ 1.80 7.35] 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 0.63 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.63 .. 0.63]
1193-> GLU 68 HA - ARG 71 HE [ 1.80 7.21] 0.00 1.52 0.00 1.31 0.00 0.00 1.36 1.02 1.39 1.39 0.00 0.00 1.32 0.00 1.45 0.00 0.00 1.42 1.31 0.95 - 11 [ 0.95 .. 1.52]
1197-> ARG 71 HE - LEU 79 HD2* [ 1.80 6.79] 0.10 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.02 .. 0.15]
1198-> ILE 67 HG2* - ARG 71 HE [ 1.80 5.53] 0.00 1.85 0.00 1.84 0.60 0.00 1.85 1.33 1.82 1.79 0.00 0.82 1.89 0.00 1.81 0.93 0.83 1.80 1.88 0.78 - 15 [ 0.60 .. 1.89]
1200-> ASN 21 HD21 - ARG 24 HA [ 1.80 7.48] 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 0.10 0.00 0.00 0.00 0.00 - 1 [ 0.10 .. 0.10]
1201-> ASN 21 HD21 - SER 23 HB2 [ 1.80 7.48] 1.65 0.00 1.89 0.03 0.00 1.58 0.00 0.00 0.00 0.00 1.75 1.79 1.74 0.00 1.88 0.03 0.00 0.00 1.83 0.00 - 10 [ 0.03 .. 1.89]
1202-> ASN 21 HD21 - SER 23 HB3 [ 1.80 7.48] 1.53 1.07 1.74 1.48 1.33 1.41 1.34 1.36 1.34 1.29 1.59 1.68 1.60 1.38 1.73 1.61 1.28 1.39 1.68 1.24 - 20 [ 1.07 .. 1.74]
1206-> VAL 33 HN - GLU 34 HG2 [ 1.80 4.36] 1.89 1.86 1.94 1.88 1.90 1.87 1.91 1.86 1.96 1.89 1.95 1.88 1.93 1.92 1.81 1.87 1.89 1.89 1.86 1.91 - 20 [ 1.81 .. 1.96]
1218-> TYR 44 HN - HIS 45 HD2 [ 1.80 7.48] 0.21 0.38 0.06 0.20 0.38 0.25 0.39 0.26 0.35 0.07 0.24 0.12 0.30 0.26 0.25 0.08 0.39 0.15 0.38 0.33 - 20 [ 0.06 .. 0.39]
1228-> TYR 50 HN - GLU 51 HG3 [ 1.80 5.52] 1.67 1.66 0.00 1.67 0.00 1.68 0.00 0.00 0.00 1.76 1.60 0.00 0.00 1.64 0.00 0.00 0.00 1.77 0.00 0.00 - 8 [ 1.60 .. 1.77]
1251-> TYR 44 HD* - GLU 81 HN [ 1.80 6.79] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 - 1 [ 0.17 .. 0.17]
1254-> TYR 44 HE* - LYS 86 HN [ 1.80 7.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.45 0.00 - 3 [ 0.39 .. 0.56]
1269-> GLU 51 HN - ALA 59 HN [ 1.80 5.78] 0.00 0.00 0.00 0.00 0.00 0.09 0.11 0.39 0.03 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.37 0.00 0.03 0.00 - 7 [ 0.03 .. 0.39]
1272-> LEU 17 HD2* - HIS 19 HN [ 1.80 6.04] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.21 0.18 0.10 0.00 0.00 0.17 - 5 [ 0.10 .. 0.21]
1275-> ASN 21 HD21 - ALA 22 HN [ 1.80 6.15] 0.35 0.33 0.34 0.33 0.28 0.34 0.32 0.33 0.34 0.34 0.34 0.35 0.31 0.29 0.29 0.00 0.33 0.32 0.30 0.33 - 19 [ 0.28 .. 0.35]
1280-> LEU 49 HG - LEU 53 HN [ 1.80 5.85] 1.14 1.06 1.14 1.37 0.00 0.00 0.00 1.18 0.00 1.09 0.00 1.21 0.00 1.32 0.00 1.61 0.00 1.24 0.00 1.16 - 11 [ 1.06 .. 1.61]
1295-> GLU 68 HA - ARG 71 HG3 [ 1.80 5.22] 0.00 2.31 0.00 2.07 0.85 0.00 2.11 1.98 2.15 2.15 0.00 0.69 2.11 0.00 2.27 0.80 0.83 2.21 2.07 2.01 - 15 [ 0.69 .. 2.31]
1305-> ARG 9 HA - LEU 12 HB3 [ 1.80 3.63] 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 0.00 0.00 0.00 0.26 - 2 [ 0.12 .. 0.26]
1306-> ARG 9 HA - ARG 9 HD2 [ 1.80 5.34] 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 0.14 0.00 0.00 0.00 - 2 [ 0.14 .. 0.14]
1308-> ARG 9 HB2 - LEU 28 HB3 [ 1.80 4.68] 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 1.06 - 4 [ 0.20 .. 1.06]
1324-> LEU 12 HA - LEU 12 HD1* [ 1.80 3.31] 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.54 0.55 0.00 0.00 0.55 0.00 0.56 0.00 0.00 0.55 - 6 [ 0.54 .. 0.56]
1333-> GLN 14 HA - GLN 14 HG2 [ 1.80 3.63] 0.24 0.25 0.23 0.26 0.00 0.00 0.00 0.00 0.23 0.23 0.00 0.25 0.00 0.25 0.00 0.24 0.00 0.25 0.24 0.00 - 11 [ 0.23 .. 0.26]
1342-> LEU 12 HA - GLU 15 HG3 [ 1.80 3.96] 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 - 2 [ 1.10 .. 1.32]
1345-> LEU 17 HA - LEU 17 HD2* [ 1.80 3.16] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.73 0.69 0.72 0.00 0.00 0.70 - 5 [ 0.69 .. 0.73]
1362-> ARG 24 HA - ARG 24 HD3 [ 1.80 3.78] 0.51 0.50 0.52 0.53 0.51 0.53 0.49 0.57 0.54 0.54 0.52 0.51 0.52 0.51 0.53 0.52 0.53 0.52 0.51 0.45 - 20 [ 0.45 .. 0.57]
1368-> ARG 24 HA - ARG 24 HD2 [ 1.80 3.99] 0.61 0.60 0.62 0.61 0.61 0.61 0.59 0.62 0.62 0.61 0.61 0.61 0.61 0.60 0.63 0.61 0.59 0.60 0.61 0.58 - 20 [ 0.58 .. 0.63]
1376-> LYS 48 HA - LYS 48 HD2 [ 1.80 4.06] 0.26 0.24 0.26 0.24 0.24 0.25 0.56 0.22 0.27 0.28 0.00 0.28 0.25 0.00 0.22 0.23 0.18 0.26 0.25 0.21 - 18 [ 0.18 .. 0.56]
1377-> LEU 26 HA - LEU 26 HD1* [ 1.80 3.60] 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 0.00 0.13 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.13 .. 0.25]
1388-> LEU 26 HD2* - LEU 53 HG [ 1.80 5.18] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.43 .. 2.68]
1390-> ALA 27 HA - GLU 30 HB3 [ 1.80 4.27] 0.38 0.06 0.48 0.26 0.72 0.44 0.26 0.00 0.48 0.15 0.23 0.10 0.50 0.29 0.00 0.01 0.00 0.32 0.00 0.20 - 16 [ 0.01 .. 0.72]
1394-> LEU 28 HA - GLU 31 HB3 [ 1.80 4.35] 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.21 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.01 .. 0.21]
1397-> ARG 9 HG3 - LEU 28 HB3 [ 1.80 4.40] 1.54 1.87 1.67 1.46 1.76 0.00 1.30 1.32 1.83 0.00 0.00 1.31 1.49 0.00 0.00 1.39 0.00 1.96 1.33 0.00 - 13 [ 1.30 .. 1.96]
1403-> ARG 9 HB3 - LEU 28 HD2* [ 1.80 4.03] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.49 - 3 [ 0.44 .. 0.49]
1416-> GLU 31 HA - GLU 34 HG2 [ 1.80 3.27] 1.41 1.72 1.80 2.01 1.68 1.67 1.55 1.48 1.88 1.60 1.87 1.50 1.31 2.23 1.55 1.95 1.35 1.75 1.57 2.20 - 20 [ 1.31 .. 2.23]
1429-> LEU 32 HA - LEU 32 HD1* [ 1.80 4.70] 0.11 0.00 0.00 0.00 0.00 0.00 0.12 0.10 0.00 0.00 0.00 0.13 0.12 0.00 0.13 0.00 0.00 0.13 0.17 0.00 - 8 [ 0.10 .. 0.17]
1441-> GLU 31 HA - GLU 34 HG3 [ 1.80 3.97] 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 0.16 0.00 0.00 0.00 0.00 0.00 0.19 - 3 [ 0.11 .. 0.19]
1443-> THR 35 HN - THR 35 HG2* [ 1.80 3.55] 0.00 0.00 0.23 0.00 0.20 0.00 0.00 0.23 0.21 0.00 0.20 0.23 0.00 0.22 0.21 0.22 0.21 0.00 0.21 0.20 - 12 [ 0.20 .. 0.23]
1469-> LEU 46 HA - LEU 49 HB3 [ 1.80 4.66] 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.03 0.00 0.11 0.00 0.04 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 - 5 [ 0.03 .. 0.22]
1481-> ARG 9 HB2 - LEU 28 HD2* [ 1.80 4.09] 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.27 - 4 [ 0.07 .. 0.31]
1482-> LYS 48 HN - LYS 48 HD3 [ 1.80 5.34] 0.00 0.00 0.00 0.00 0.00 0.00 0.59 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 - 1 [ 0.59 .. 0.59]
1483-> LYS 48 HA - LYS 48 HD3 [ 1.80 3.99] 0.70 0.70 0.70 0.70 0.70 0.70 0.82 0.72 0.72 0.71 0.00 0.71 0.71 0.00 0.69 0.69 0.68 0.70 0.70 0.70 - 18 [ 0.68 .. 0.82]
1492-> LEU 17 HD1* - LEU 49 HA [ 1.80 5.75] 0.35 0.27 0.44 0.34 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.48 0.00 0.43 0.00 0.00 0.00 0.31 0.00 0.00 - 8 [ 0.27 .. 0.51]
1493-> LEU 49 HA - LEU 49 HD1* [ 1.80 3.47] 0.40 0.38 0.39 0.40 0.00 0.00 0.00 0.41 0.00 0.39 0.00 0.39 0.00 0.39 0.00 0.38 0.00 0.39 0.00 0.38 - 11 [ 0.38 .. 0.41]
1496-> LEU 17 HD1* - LEU 49 HB2 [ 1.80 4.37] 1.62 1.40 1.58 1.53 0.00 0.00 0.00 0.00 0.00 1.52 0.00 1.70 0.00 1.63 0.00 1.36 0.00 1.47 0.00 0.85 - 10 [ 0.85 .. 1.70]
1558-> ILE 60 HG2* - ILE 60 HG13 [ 1.80 2.86] 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 0.33 0.33 0.34 0.34 0.34 - 20 [ 0.33 .. 0.34]
1561-> ILE 60 HD1* - LEU 87 HN [ 1.80 5.95] 1.29 1.19 0.64 1.21 1.18 1.13 0.49 1.32 1.11 1.25 1.12 1.32 1.01 0.79 1.15 1.24 1.23 1.23 1.26 1.08 - 20 [ 0.49 .. 1.32]
1586-> GLY 66 HA2 - VAL 69 HB [ 1.80 5.50] 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 0.10 0.00 0.00 0.00 0.00 0.03 - 2 [ 0.03 .. 0.10]
1588-> ILE 67 HA - LEU 82 HD1* [ 1.80 4.01] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.27 .. 0.27]
1602-> GLU 68 HG3 - VAL 69 HN [ 1.80 4.52] 0.00 0.16 0.00 0.00 0.39 0.00 0.56 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.25 0.00 0.20 0.18 0.56 0.22 - 9 [ 0.16 .. 0.56]
1604-> GLU 68 HG2 - VAL 69 HN [ 1.80 4.88] 0.00 0.00 0.11 0.30 0.00 0.00 0.00 0.02 0.00 0.00 0.10 0.19 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.00 - 6 [ 0.02 .. 0.30]
1613-> VAL 40 HA - VAL 69 HG2* [ 1.80 3.34] 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.60 0.00 0.01 0.00 0.00 - 4 [ 0.01 .. 1.39]
1620-> ARG 71 HB2 - GLN 76 HA [ 1.80 6.33] 0.63 0.00 0.44 0.09 0.00 0.20 0.00 0.27 0.29 0.12 0.36 0.79 0.00 0.41 0.00 0.44 0.19 0.00 0.00 0.30 - 13 [ 0.09 .. 0.79]
1622-> ARG 71 HB3 - GLN 76 HA [ 1.80 5.75] 0.96 1.74 0.66 1.99 1.76 0.45 1.84 2.04 2.10 2.00 0.67 2.50 1.66 0.71 1.51 2.15 1.99 1.57 1.86 1.94 - 20 [ 0.45 .. 2.50]
1627-> ARG 71 HN - ARG 71 HD2 [ 1.80 5.76] 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 0.22 0.00 0.00 0.00 - 2 [ 0.22 .. 0.24]
1634-> GLU 72 HB2 - GLU 73 HG2 [ 1.80 4.55] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.59 .. 1.59]
1662-> ASP 78 HA - GLU 81 HB2 [ 1.80 3.84] 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 0.18 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.18 .. 0.31]
1665-> HIS 45 HA - LYS 48 HG2 [ 1.80 3.70] 0.67 0.65 0.74 0.78 0.80 0.72 0.97 0.72 0.84 0.77 0.00 0.75 0.80 0.07 0.71 0.72 0.82 0.58 0.75 0.84 - 19 [ 0.07 .. 0.97]
1674-> ARG 71 HB3 - LEU 79 HD2* [ 1.80 3.46] 0.00 0.48 0.00 0.88 0.79 0.00 0.67 0.92 0.76 1.01 0.00 1.46 0.95 0.00 0.43 1.15 0.91 0.59 0.73 0.75 - 15 [ 0.43 .. 1.46]
1704-> GLU 81 HA - ASP 84 HB3 [ 1.80 3.98] 0.54 1.05 0.26 0.79 0.56 0.46 0.16 0.76 0.89 0.89 0.44 0.85 0.56 0.28 0.49 0.72 0.56 0.56 0.71 0.43 - 20 [ 0.16 .. 1.05]
1707-> ALA 70 HA - GLU 73 HB2 [ 1.80 4.90] 0.00 0.00 0.12 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.12 .. 1.10]
1721-> TYR 63 HB2 - LYS 86 HD2 [ 1.80 4.29] 0.00 0.00 0.96 0.00 0.00 0.00 0.77 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.14 .. 0.96]
1727-> LYS 86 HG3 - LYS 86 HE2 [ 1.80 3.68] 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.55 .. 0.57]
1729-> LYS 86 HE2 - LEU 87 HN [ 1.80 6.35] 0.25 0.28 0.00 0.21 0.00 0.20 0.00 0.25 0.21 0.00 0.24 0.33 0.20 0.21 0.23 0.28 0.26 0.23 0.20 0.24 - 16 [ 0.20 .. 0.33]
1747-> LEU 87 HA - LEU 87 HD1* [ 1.80 3.73] 0.20 0.19 0.19 0.20 0.21 0.20 0.18 0.20 0.19 0.20 0.18 0.21 0.19 0.19 0.19 0.20 0.19 0.19 0.19 0.18 - 20 [ 0.18 .. 0.21]
1748-> ARG 9 HG3 - LEU 32 HD2* [ 1.80 2.97] 1.81 1.19 1.09 1.06 1.12 0.00 2.65 2.61 1.20 1.38 0.00 2.61 2.12 1.25 0.06 1.15 0.00 2.39 2.64 1.23 - 17 [ 0.06 .. 2.65]
1752-> GLU 68 HA - ARG 71 HG2 [ 1.80 4.07] 0.00 2.93 0.00 2.65 1.82 0.00 2.74 2.76 2.78 2.79 0.00 1.51 2.70 0.00 2.98 1.57 1.88 2.84 2.65 2.78 - 15 [ 1.51 .. 2.98]
1757-> ALA 85 HA - LYS 88 HB3 [ 1.80 4.61] 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]
1768-> GLU 51 HB2 - ARG 52 HA [ 1.80 4.67] 0.97 0.99 0.00 0.99 0.00 1.05 0.00 0.00 0.00 1.07 1.04 0.00 0.00 1.00 0.00 0.00 0.00 1.02 0.00 0.00 - 8 [ 0.97 .. 1.07]
1773-> LEU 92 HA - LEU 92 HD2* [ 1.80 3.05] 0.00 0.00 0.00 0.00 0.82 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 0.00 - 1 [ 0.82 .. 0.82]
1783-> LEU 92 HD1* - GLU 93 HN [ 1.80 4.67] 0.28 0.00 0.00 0.20 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 0.12 0.00 0.08 - 6 [ 0.00 .. 0.28]
1788-> PRO 3 HA - THR 8 HG2* [ 1.80 3.92] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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]
1793-> PRO 3 HB3 - THR 8 HG2* [ 1.80 5.19] 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 0.00 0.61 - 1 [ 0.61 .. 0.61]
1799-> PRO 6 HA - ARG 9 HD3 [ 1.80 5.59] 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.24 0.00 1.10 0.00 0.00 0.49 0.00 - 5 [ 0.20 .. 1.10]
1800-> PRO 6 HA - LEU 32 HD2* [ 1.80 3.73] 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.39 0.00 0.00 0.00 0.19 0.02 0.00 0.21 0.00 0.00 0.30 0.29 0.00 - 7 [ 0.02 .. 0.44]
1802-> PRO 6 HG3 - TYR 39 HD* [ 1.80 5.77] 0.00 0.00 0.95 0.00 1.27 0.00 0.36 2.33 0.89 0.00 0.98 0.00 0.95 0.00 1.18 0.00 1.19 1.14 0.00 0.00 - 10 [ 0.36 .. 2.33]
1815-> ARG 9 HD3 - LEU 32 HD2* [ 1.80 4.91] 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.31 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.22 1.40 0.00 - 5 [ 0.22 .. 1.40]
1817-> ARG 9 HG2 - LEU 32 HD2* [ 1.80 4.20] 0.71 0.37 0.32 0.46 0.33 0.00 1.37 1.31 0.39 0.00 0.00 1.37 0.89 0.00 0.00 0.49 0.00 1.23 1.39 0.00 - 13 [ 0.32 .. 1.39]
1818-> GLU 4 HA - ARG 9 HD3 [ 1.80 5.88] 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.23 - 3 [ 0.23 .. 0.62]
1827-> ARG 9 HG2 - TYR 10 HA [ 1.80 5.52] 1.12 1.16 1.09 1.12 1.07 0.00 1.11 1.08 1.15 0.00 0.00 1.09 1.04 0.00 0.00 1.09 0.00 1.15 1.14 0.00 - 13 [ 1.04 .. 1.16]
1828-> ARG 9 HG3 - TYR 10 HA [ 1.80 5.27] 1.42 1.48 1.43 1.45 1.42 0.00 1.47 1.44 1.40 0.34 0.00 1.46 1.44 0.47 0.00 1.49 0.00 1.40 1.48 0.50 - 16 [ 0.34 .. 1.49]
1830-> ALA 11 HA - GLN 14 HG2 [ 1.80 4.66] 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.40 0.00 0.00 0.52 0.00 0.00 0.00 0.51 0.00 0.54 0.00 0.00 0.42 - 6 [ 0.40 .. 0.71]
1831-> ALA 11 HA - GLN 14 HG3 [ 1.80 4.54] 0.14 0.16 0.24 0.29 0.00 0.81 0.00 0.51 0.33 0.15 0.55 0.24 0.00 0.20 0.55 0.25 0.51 0.39 0.39 0.00 - 16 [ 0.14 .. 0.81]
1837-> LEU 12 HD1* - GLU 15 HB2 [ 1.80 3.91] 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 1.92 1.92 0.00 0.00 1.93 0.00 1.76 0.00 0.00 2.37 - 6 [ 1.76 .. 2.37]
1841-> GLN 83 HB3 - LEU 87 HD2* [ 1.80 5.08] 1.21 1.52 0.00 1.36 0.00 1.36 0.48 1.21 1.50 1.05 0.00 1.15 0.00 0.00 1.21 1.28 0.19 1.10 1.39 0.00 - 15 [ 0.00 .. 1.52]
1843-> LEU 92 HN - GLU 93 HG2 [ 1.80 6.11] 0.00 0.00 1.16 0.00 0.00 0.00 0.86 1.26 0.74 0.00 0.28 0.91 0.59 0.00 0.19 1.27 0.98 0.00 0.91 0.00 - 11 [ 0.19 .. 1.27]
1850-> LEU 12 HD1* - HIS 16 HA [ 1.80 6.84] 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 1.09 1.27 0.00 0.00 1.07 0.00 1.09 0.00 0.00 1.09 - 6 [ 0.93 .. 1.27]
1857-> LEU 17 HD2* - ASP 20 HA [ 1.80 6.44] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.23 0.00 0.32 0.00 0.00 1.02 - 4 [ 0.23 .. 1.02]
1862-> HIS 16 HB2 - ASN 21 HB3 [ 1.80 5.18] 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 0.19 0.00 0.00 0.00 0.00 - 1 [ 0.19 .. 0.19]
1870-> LEU 17 HD2* - ALA 22 HA [ 1.80 3.86] 0.00 0.00 0.00 0.00 0.00 0.66 0.00 2.31 0.00 0.00 2.37 0.00 0.00 0.00 2.27 0.70 2.22 0.00 0.00 0.76 - 7 [ 0.66 .. 2.37]
1871-> LEU 17 HD2* - ALA 22 HB* [ 1.80 3.67] 0.16 0.23 0.00 0.00 0.34 0.50 0.22 2.12 0.18 0.51 2.65 0.38 0.20 0.00 2.67 0.79 2.56 0.00 0.14 0.87 - 16 [ 0.14 .. 2.67]
1872-> ALA 22 HB* - LEU 53 HD1* [ 1.80 4.11] 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.10 0.00 0.50 0.00 0.45 - 5 [ 0.10 .. 0.50]
1890-> HIS 16 HD2 - ALA 25 HA [ 1.80 5.30] 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 1.66 0.00 0.00 0.00 0.00 - 1 [ 1.66 .. 1.66]
1895-> HIS 16 HD2 - ALA 25 HB* [ 1.80 5.67] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 - 1 [ 0.55 .. 0.55]
1901-> LEU 17 HG - ALA 25 HB* [ 1.80 3.75] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 1.38 0.00 0.00 0.00 1.19 1.03 1.35 0.00 0.00 0.69 - 6 [ 0.49 .. 1.38]
1902-> ALA 25 HA - LEU 49 HD2* [ 1.80 5.01] 0.51 0.65 0.81 1.17 0.00 0.00 0.00 0.19 0.00 0.74 0.00 0.65 0.00 0.77 0.00 0.79 0.00 1.22 0.00 1.02 - 11 [ 0.19 .. 1.22]
1905-> LEU 12 HG - ALA 25 HA [ 1.80 6.57] 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 2.55 2.18 0.00 0.00 2.64 0.00 2.71 0.00 0.00 2.32 - 6 [ 2.18 .. 2.71]
1908-> LEU 17 HD2* - ALA 25 HB* [ 1.80 3.19] 0.00 0.00 0.00 0.00 0.00 1.02 0.00 1.77 0.00 0.00 0.86 0.00 0.00 0.00 0.62 0.18 0.87 0.00 0.00 0.09 - 7 [ 0.09 .. 1.77]
1914-> LEU 26 HD1* - GLU 30 HG2 [ 1.80 4.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 2.60 0.00 1.26 0.00 1.76 0.00 - 4 [ 1.26 .. 4.05]
1918-> LEU 26 HD1* - LEU 46 HD1* [ 1.80 3.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.19 .. 0.66]
1919-> LEU 26 HD1* - LEU 49 HB3 [ 1.80 4.06] 0.00 0.00 0.00 0.00 0.00 0.20 0.13 0.00 0.00 0.00 0.19 0.00 0.00 0.00 1.29 0.00 0.06 0.00 0.00 0.00 - 5 [ 0.06 .. 1.29]
1920-> LEU 26 HB2 - LEU 49 HG [ 1.80 5.75] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.60 .. 1.60]
1932-> PHE 29 HB3 - LEU 32 HD1* [ 1.80 5.46] 0.67 0.00 0.00 0.00 0.00 0.00 0.57 0.43 0.00 0.00 0.00 0.45 0.75 0.00 0.68 0.00 0.00 0.66 0.55 0.00 - 8 [ 0.43 .. 0.75]
1934-> GLU 30 HA - LEU 46 HD2* [ 1.80 3.80] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.16]
1935-> LEU 26 HG - GLU 30 HG2 [ 1.80 6.36] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.38 0.00 - 3 [ 0.38 .. 4.04]
1936-> GLU 30 HG2 - THR 62 HG2* [ 1.80 6.93] 0.00 0.00 0.00 0.00 0.00 0.00 0.05 2.49 0.00 0.00 0.08 0.00 0.00 0.00 2.12 0.00 1.99 0.00 2.39 0.00 - 6 [ 0.05 .. 2.49]
1937-> GLU 30 HG2 - LEU 46 HD2* [ 1.80 5.69] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.23 0.00 0.67 0.00 - 4 [ 0.23 .. 0.80]
1939-> LEU 26 HD1* - GLU 30 HG3 [ 1.80 4.65] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.37 0.00 0.84 0.00 - 4 [ 0.37 .. 3.32]
1941-> ARG 9 HE - LEU 32 HA [ 1.80 7.11] 0.48 0.54 0.77 0.61 1.10 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.87 0.00 0.00 - 8 [ 0.48 .. 1.10]
1942-> GLU 31 HG2 - THR 35 HG2* [ 1.80 4.85] 0.00 0.00 2.68 0.00 2.49 0.00 0.00 2.81 0.00 0.00 2.51 2.36 0.00 3.23 0.20 2.31 0.00 0.00 2.45 2.98 - 10 [ 0.20 .. 3.23]
1943-> GLU 31 HA - THR 35 HG2* [ 1.80 5.46] 0.00 0.00 1.02 0.00 0.89 0.00 0.00 1.11 0.89 0.00 0.86 0.78 0.00 0.89 1.10 0.80 0.95 0.00 0.83 0.61 - 12 [ 0.61 .. 1.11]
1946-> TYR 10 HA - LEU 32 HD1* [ 1.80 3.91] 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.07 0.52 0.00 0.18 0.00 0.00 0.31 0.00 0.00 - 6 [ 0.05 .. 0.85]
1949-> PHE 29 HD* - LEU 32 HD1* [ 1.80 3.78] 0.73 0.00 0.00 0.00 0.00 0.00 0.59 0.80 0.00 0.00 0.00 0.44 0.88 0.00 0.82 0.00 0.00 0.76 0.54 0.00 - 8 [ 0.44 .. 0.88]
1950-> THR 42 HA - HIS 45 HD2 [ 1.80 5.97] 1.79 1.84 1.70 2.18 1.55 1.39 1.46 1.78 1.44 1.91 1.84 1.74 1.59 1.95 1.54 1.67 1.54 1.73 1.96 1.72 - 20 [ 1.39 .. 2.18]
1963-> GLU 31 HB2 - THR 35 HG2* [ 1.80 5.43] 0.00 0.00 1.19 0.00 0.97 0.00 0.00 1.49 1.78 0.00 1.15 1.20 0.00 1.12 2.05 1.08 1.85 0.00 1.22 0.94 - 12 [ 0.94 .. 2.05]
1967-> GLU 34 HG2 - THR 35 HA [ 1.80 6.38] 0.20 0.19 0.27 0.18 0.23 0.18 0.22 0.24 0.26 0.18 0.26 0.18 0.19 0.25 0.25 0.22 0.25 0.21 0.20 0.23 - 20 [ 0.18 .. 0.27]
1968-> GLU 34 HG3 - THR 35 HA [ 1.80 5.80] 0.80 0.77 0.81 0.82 0.72 0.77 0.79 0.80 0.77 0.79 0.78 0.74 0.79 0.77 0.80 0.76 0.76 0.78 0.76 0.75 - 20 [ 0.72 .. 0.82]
1970-> LEU 32 HN - THR 35 HG2* [ 1.80 5.43] 0.00 0.00 0.71 0.00 0.61 0.00 0.00 1.06 0.58 0.00 0.68 0.93 0.00 0.64 0.91 0.77 0.75 0.00 0.91 0.66 - 12 [ 0.58 .. 1.06]
1971-> GLU 34 HG2 - THR 35 HB [ 1.80 6.15] 2.30 2.32 1.62 2.27 1.54 2.29 2.32 1.59 1.59 2.24 1.57 1.52 2.32 1.55 1.57 1.55 1.54 2.30 1.54 1.57 - 20 [ 1.52 .. 2.32]
1972-> GLU 34 HG2 - THR 35 HG2* [ 1.80 4.60] 1.08 1.16 3.18 1.06 3.13 1.08 1.15 3.15 3.17 0.96 3.17 3.07 1.14 3.16 3.15 3.13 3.15 1.10 3.11 3.14 - 20 [ 0.96 .. 3.18]
1973-> GLU 31 HG3 - THR 35 HG2* [ 1.80 4.85] 0.00 0.82 3.28 0.00 3.08 0.00 0.76 3.48 1.02 0.73 3.16 3.11 0.00 2.55 1.09 3.03 1.01 0.00 3.17 2.27 - 15 [ 0.73 .. 3.48]
1974-> GLU 34 HG3 - THR 35 HG2* [ 1.80 4.14] 1.18 1.16 3.31 1.17 3.21 1.12 1.18 3.30 3.28 1.09 3.28 3.22 1.22 3.26 3.29 3.26 3.24 1.12 3.26 3.26 - 20 [ 1.09 .. 3.31]
1977-> LEU 32 HB3 - ASP 36 HB2 [ 1.80 5.80] 0.29 0.38 0.36 0.00 0.05 0.11 0.54 1.01 0.49 0.00 0.56 0.87 0.43 0.15 0.76 0.52 0.79 0.22 0.99 0.25 - 18 [ 0.05 .. 1.01]
1978-> LEU 32 HD2* - ASP 36 HB3 [ 1.80 5.99] 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.59 0.00 0.00 0.00 0.28 0.09 0.00 0.45 0.00 0.00 0.00 0.39 0.00 - 6 [ 0.09 .. 0.59]
1979-> LEU 32 HD2* - ASP 36 HB2 [ 1.80 4.85] 2.05 0.33 0.29 0.00 0.00 0.18 2.44 2.83 0.50 0.00 0.61 2.53 2.20 0.00 2.61 0.35 0.64 1.98 2.63 0.00 - 15 [ 0.18 .. 2.83]
1980-> PRO 37 HB3 - VAL 69 HG2* [ 1.80 6.77] 0.07 0.16 0.00 0.00 0.00 0.04 0.39 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.13 0.00 0.27 0.00 0.33 0.00 - 8 [ 0.04 .. 0.39]
1982-> PRO 37 HB2 - VAL 69 HG2* [ 1.80 5.50] 0.29 0.36 0.26 0.02 0.00 0.27 0.64 0.00 0.22 0.00 0.00 0.00 0.45 0.00 0.25 0.00 0.58 0.00 0.58 0.07 - 12 [ 0.02 .. 0.64]
1987-> VAL 40 HG1* - ALA 70 HB* [ 1.80 3.54] 0.48 0.42 0.31 0.49 0.00 0.62 0.36 0.00 0.48 0.40 0.00 0.38 0.51 0.00 0.00 0.28 0.29 0.00 0.52 0.00 - 13 [ 0.28 .. 0.62]
1989-> VAL 40 HG2* - ALA 70 HA [ 1.80 3.61] 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.40 0.00 0.00 0.40 0.00 0.00 0.27 0.00 0.00 0.00 0.24 0.00 0.00 - 5 [ 0.17 .. 0.40]
1990-> VAL 40 HG1* - GLY 41 HA3 [ 1.80 5.13] 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.64 0.00 0.00 0.71 0.00 0.00 0.68 0.00 0.00 0.00 0.69 0.00 0.00 - 5 [ 0.64 .. 0.71]
1991-> VAL 40 HG1* - GLY 41 HA2 [ 1.80 5.13] 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.33 0.00 0.00 0.40 0.00 0.00 0.37 0.00 0.00 0.00 0.36 0.00 0.00 - 5 [ 0.33 .. 0.40]
2006-> TYR 43 HA - LEU 82 HD2* [ 1.80 5.36] 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 1.40 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.03 .. 1.40]
2036-> GLU 30 HG3 - LEU 46 HD1* [ 1.80 4.59] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.47 0.00 1.16 0.00 - 4 [ 0.47 .. 1.22]
2037-> GLU 30 HG2 - LEU 46 HD1* [ 1.80 4.39] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 1.77 0.00 2.39 0.00 - 4 [ 1.77 .. 2.44]
2046-> GLU 30 HG3 - LEU 46 HD2* [ 1.80 5.09] 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.21 0.00 - 4 [ 0.08 .. 0.28]
2047-> GLU 30 HB2 - LEU 46 HD2* [ 1.80 4.83] 0.20 0.58 0.15 0.43 0.02 0.15 0.79 0.00 0.10 0.24 0.90 0.93 0.04 0.11 0.00 0.60 0.00 0.00 0.00 0.68 - 15 [ 0.02 .. 0.93]
2049-> LEU 46 HA - LEU 49 HD2* [ 1.80 4.98] 0.04 0.18 0.18 0.17 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.14 0.00 0.00 0.00 0.16 0.00 0.22 0.00 0.00 - 8 [ 0.04 .. 0.34]
2054-> LEU 46 HD1* - LEU 49 HD2* [ 1.80 4.11] 1.00 1.14 1.18 1.24 0.00 0.00 0.00 0.74 0.00 1.39 0.00 1.17 0.00 1.01 0.00 1.26 0.00 1.26 0.00 0.82 - 11 [ 0.74 .. 1.39]
2065-> LEU 17 HD1* - LYS 48 HB2 [ 1.80 6.98] 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 0.17 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
2066-> LEU 26 HD1* - LEU 49 HB2 [ 1.80 5.52] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.56 .. 0.56]
2068-> TYR 44 HE* - LYS 48 HE2 [ 1.80 4.92] 1.62 1.58 1.27 1.77 0.93 0.74 0.00 1.64 1.54 2.17 0.34 1.64 0.88 0.81 1.42 1.51 1.17 0.86 1.15 1.60 - 19 [ 0.34 .. 2.17]
2069-> TYR 44 HE* - LYS 48 HE3 [ 1.80 4.92] 0.73 0.76 0.41 0.96 0.46 0.18 0.00 0.73 1.02 1.33 1.72 0.75 0.44 2.23 0.78 0.62 0.77 0.00 0.71 0.89 - 18 [ 0.18 .. 2.23]
2079-> TYR 50 HB3 - GLU 51 HG2 [ 1.80 7.15] 0.22 0.02 0.00 0.20 0.00 0.28 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.27 0.00 0.00 0.00 0.18 0.00 0.00 - 7 [ 0.02 .. 0.28]
2080-> TYR 50 HB2 - GLU 51 HG2 [ 1.80 5.81] 1.34 1.26 0.00 1.25 0.00 1.37 0.00 0.00 0.00 0.92 1.48 0.00 0.00 1.43 0.00 0.00 0.00 1.26 0.00 0.00 - 8 [ 0.92 .. 1.48]
2093-> GLU 51 HA - THR 56 HG2* [ 1.80 5.46] 0.06 0.00 0.00 0.11 0.00 0.00 0.00 0.81 0.00 0.00 0.08 0.00 0.00 0.00 0.19 0.00 0.24 0.00 0.07 0.00 - 7 [ 0.06 .. 0.81]
2095-> LEU 49 HD1* - ARG 52 HB2 [ 1.80 4.31] 1.84 1.77 1.28 1.76 0.00 0.00 0.00 2.03 0.00 1.24 0.00 1.39 0.00 1.83 0.00 2.02 0.00 1.37 0.00 1.88 - 11 [ 1.24 .. 2.03]
2096-> GLU 51 HA - THR 56 HA [ 1.80 4.73] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.32 .. 0.32]
2099-> LEU 49 HD1* - ARG 52 HD2 [ 1.80 4.21] 4.61 4.52 3.73 4.46 1.26 1.50 1.77 4.90 1.79 3.59 1.97 3.95 1.18 4.55 2.28 4.78 0.64 3.85 1.35 4.70 - 20 [ 0.64 .. 4.90]
2100-> LEU 49 HD1* - ARG 52 HD3 [ 1.80 4.21] 4.89 4.85 4.20 4.82 1.61 1.85 2.09 5.00 2.16 3.72 2.30 4.37 1.61 4.87 2.58 4.98 0.00 4.20 1.76 4.90 - 19 [ 1.61 .. 5.00]
2101-> LEU 49 HD1* - ARG 52 HG2 [ 1.80 5.67] 1.68 1.70 1.05 1.65 0.00 0.00 0.00 1.71 0.00 1.03 0.00 1.20 0.00 1.66 0.00 1.68 0.00 0.93 0.00 1.65 - 11 [ 0.93 .. 1.71]
2102-> LEU 49 HD1* - ARG 52 HB3 [ 1.80 4.46] 2.98 2.87 2.30 2.84 0.00 0.00 0.00 3.22 0.00 2.19 0.00 2.44 0.00 2.95 0.31 3.22 0.00 2.43 0.00 3.03 - 12 [ 0.31 .. 3.22]
2109-> LEU 53 HG - ARG 55 HG2 [ 1.80 6.81] 0.00 0.00 0.78 0.00 0.00 0.50 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.41 .. 0.78]
2110-> LEU 53 HB3 - ARG 55 HD3 [ 1.80 4.65] 0.46 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.27 .. 0.64]
2111-> LEU 53 HB3 - ARG 55 HD2 [ 1.80 5.77] 0.04 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 0.00 0.00 0.00 - 2 [ 0.04 .. 0.18]
2112-> LEU 53 HD1* - ARG 55 HD2 [ 1.80 5.96] 0.68 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.27 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.08 .. 0.77]
2114-> LEU 26 HD2* - ARG 55 HB3 [ 1.80 6.34] 0.00 0.00 0.54 0.62 0.00 0.80 0.26 0.30 0.00 0.00 0.78 0.01 0.00 0.68 2.10 0.02 0.57 0.77 0.31 0.52 - 14 [ 0.01 .. 2.10]
2117-> ASP 54 HA - ARG 55 HD2 [ 1.80 5.85] 0.00 0.00 1.36 1.58 0.00 1.44 1.37 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 1.61 0.00 0.00 - 6 [ 1.36 .. 1.64]
2118-> TYR 50 HD* - ARG 55 HD2 [ 1.80 6.05] 0.00 0.00 0.00 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]
2119-> TYR 50 HD* - ARG 55 HD3 [ 1.80 5.59] 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 0.49 0.00 0.00 0.00 0.00 0.04 - 2 [ 0.04 .. 0.49]
2145-> GLU 51 HG3 - ALA 59 HB* [ 1.80 3.91] 0.23 0.00 0.00 0.32 0.00 0.77 0.00 0.00 0.00 0.12 0.68 0.00 0.00 0.59 0.00 0.00 0.00 0.54 0.00 0.00 - 7 [ 0.12 .. 0.77]
2147-> GLU 51 HG2 - ALA 59 HB* [ 1.80 3.74] 1.45 0.96 0.00 1.54 0.00 1.96 0.00 0.00 0.00 0.46 1.86 0.00 0.00 1.77 0.00 0.00 0.00 1.72 0.00 0.00 - 8 [ 0.46 .. 1.96]
2160-> ILE 60 HD1* - LYS 86 HE2 [ 1.80 6.54] 0.00 0.00 1.29 0.00 1.01 0.00 1.45 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 1.01 .. 1.45]
2184-> TYR 63 HA - LEU 82 HD2* [ 1.80 3.81] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.45 .. 1.45]
2187-> TYR 63 HB3 - LYS 86 HD2 [ 1.80 4.62] 0.00 0.00 0.62 0.00 0.14 0.00 0.51 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 - 4 [ 0.14 .. 0.62]
2192-> TYR 63 HB2 - LEU 82 HD2* [ 1.80 5.99] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.90 .. 0.90]
2197-> ALA 64 HB* - LYS 86 HE2 [ 1.80 4.89] 0.00 0.00 0.88 0.00 0.00 0.00 0.72 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 - 2 [ 0.72 .. 0.88]
2199-> ALA 64 HB* - LYS 86 HE3 [ 1.80 5.91] 0.00 0.00 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 - 1 [ 0.14 .. 0.14]
2210-> GLN 65 HB3 - LEU 82 HD2* [ 1.80 7.48] 0.00 0.00 0.04 0.00 0.00 0.04 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.07 0.00 - 6 [ 0.00 .. 1.41]
2211-> GLN 65 HB3 - VAL 69 HG2* [ 1.80 4.92] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.09 .. 0.25]
2215-> ALA 64 HB* - GLN 65 HG2 [ 1.80 5.09] 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 1.22 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 1.16 .. 1.27]
2216-> VAL 33 HG1* - GLN 65 HG2 [ 1.80 6.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.35 0.00 0.00 0.00 0.06 0.00 0.00 0.27 0.00 0.06 0.00 0.02 0.00 - 6 [ 0.02 .. 0.35]
2225-> ILE 67 HA - LEU 79 HB2 [ 1.80 4.88] 0.24 0.10 0.00 0.00 0.00 0.03 0.00 0.11 0.06 0.13 0.00 0.17 0.02 0.00 0.20 0.12 0.00 0.06 0.13 0.06 - 13 [ 0.02 .. 0.24]
2243-> ILE 67 HG2* - GLN 83 HG2 [ 1.80 4.35] 1.44 1.37 0.00 1.55 0.00 1.45 0.00 1.50 1.35 1.54 0.00 1.27 0.00 0.00 1.26 1.18 0.00 1.38 1.33 0.00 - 12 [ 1.18 .. 1.55]
2252-> ILE 67 HG2* - GLN 83 HE21 [ 1.80 5.51] 0.63 0.61 0.00 0.69 0.00 0.59 0.00 0.72 0.48 0.72 0.00 0.45 0.00 0.00 0.48 0.43 0.00 0.54 0.52 0.00 - 12 [ 0.43 .. 0.72]
2254-> ILE 67 HD1* - GLN 83 HE22 [ 1.80 6.35] 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 - 3 [ 0.04 .. 0.22]
2261-> GLU 68 HB2 - VAL 69 HG2* [ 1.80 4.07] 1.12 0.91 1.21 0.00 0.00 1.01 0.00 1.03 1.04 0.95 1.16 0.00 1.07 0.96 0.90 0.00 0.00 0.92 0.00 0.81 - 13 [ 0.81 .. 1.21]
2263-> VAL 69 HA - GLU 73 HG2 [ 1.80 5.74] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 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 [ 0.58 .. 0.58]
2272-> VAL 40 HG2* - ALA 70 HB* [ 1.80 3.27] 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.58 0.00 0.00 0.41 0.00 0.00 0.35 0.00 0.00 0.00 0.58 0.00 0.00 - 5 [ 0.13 .. 0.58]
2273-> ALA 70 HB* - LEU 82 HD1* [ 1.80 3.71] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.29 .. 0.29]
2277-> ARG 71 HG3 - LEU 79 HD2* [ 1.80 4.89] 0.53 0.00 0.48 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.29 .. 0.53]
2278-> ARG 71 HG3 - GLU 73 HN [ 1.80 6.45] 0.00 0.73 0.00 0.69 0.92 0.00 0.76 0.71 0.70 0.71 0.00 0.65 0.69 0.00 0.63 0.65 0.94 0.74 0.74 0.69 - 15 [ 0.63 .. 0.94]
2286-> ALA 70 HB* - GLU 73 HB2 [ 1.80 6.35] 0.00 0.00 0.00 0.00 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 0.00 - 1 [ 0.60 .. 0.60]
2287-> VAL 40 HG2* - GLU 73 HB2 [ 1.80 5.00] 0.00 0.00 0.38 0.00 0.97 0.00 0.00 1.64 0.00 0.00 0.83 0.00 0.00 0.79 0.00 0.01 0.36 0.36 0.00 0.00 - 8 [ 0.01 .. 1.64]
2288-> VAL 69 HG2* - GLU 73 HG2 [ 1.80 5.24] 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.27 0.00 0.00 0.20 0.00 0.00 0.00 - 4 [ 0.17 .. 0.45]
2289-> VAL 69 HG2* - GLU 73 HG3 [ 1.80 4.73] 0.00 0.00 0.79 0.27 0.00 0.41 0.26 0.33 0.32 0.20 0.85 0.00 0.09 0.53 0.00 0.01 0.89 0.18 0.34 0.00 - 14 [ 0.01 .. 0.89]
2309-> LEU 79 HD1* - GLN 83 HA [ 1.80 5.28] 0.00 0.00 0.13 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 0.04 - 3 [ 0.04 .. 0.13]
2311-> LEU 17 HD1* - PHE 29 HE* [ 1.80 3.80] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 - 1 [ 0.73 .. 0.73]
2312-> LEU 17 HD1* - PHE 29 HZ [ 1.80 4.46] 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 0.47 1.12 0.44 0.00 0.00 0.36 - 5 [ 0.15 .. 1.12]
2313-> LEU 82 HB3 - LYS 86 HD2 [ 1.80 5.81] 0.01 0.00 1.33 0.00 1.51 0.04 1.31 0.00 0.00 1.46 0.00 0.09 0.00 0.00 0.22 0.03 0.13 0.00 0.10 0.00 - 11 [ 0.01 .. 1.51]
2314-> LEU 82 HB3 - LYS 86 HD3 [ 1.80 6.45] 0.13 0.06 0.00 0.06 0.00 0.17 0.00 0.06 0.00 0.00 0.00 0.28 0.00 0.00 0.19 0.19 0.23 0.01 0.23 0.00 - 11 [ 0.01 .. 0.28]
2316-> VAL 40 HG1* - LEU 82 HD2* [ 1.80 4.07] 1.18 1.34 1.05 1.12 0.81 1.12 1.22 0.74 1.22 1.18 0.66 1.05 1.12 0.59 0.00 1.17 1.24 0.62 1.25 0.00 - 18 [ 0.59 .. 1.34]
2317-> TYR 43 HB3 - LEU 82 HD2* [ 1.80 3.97] 0.00 0.00 0.00 0.00 0.00 0.00 0.02 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 - 2 [ 0.02 .. 1.61]
2318-> TYR 63 HB3 - LEU 82 HD2* [ 1.80 5.13] 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 0.44 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.44 .. 0.44]
2325-> LEU 79 HG - GLN 83 HG3 [ 1.80 5.38] 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 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
2326-> GLU 15 HA - LYS 18 HG2 [ 1.80 5.34] 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 - 2 [ 0.13 .. 0.19]
2329-> LEU 79 HD1* - GLN 83 HG2 [ 1.80 4.59] 1.82 1.35 0.00 1.49 0.00 1.74 0.00 1.66 1.36 1.67 0.00 1.59 0.00 0.00 1.42 1.59 0.00 1.63 1.63 0.00 - 12 [ 1.35 .. 1.82]
2330-> ILE 67 HD1* - GLN 83 HG2 [ 1.80 4.08] 0.33 0.55 0.00 0.40 0.00 0.28 0.00 0.39 0.34 0.41 0.00 0.35 0.00 0.00 0.34 0.40 0.00 0.37 0.33 0.00 - 12 [ 0.28 .. 0.55]
2331-> LEU 79 HD1* - GLN 83 HG3 [ 1.80 4.17] 0.99 0.53 0.00 0.67 0.00 0.93 0.00 0.81 0.54 0.85 0.00 0.76 0.00 0.00 0.60 0.76 0.00 0.81 0.79 0.00 - 12 [ 0.53 .. 0.99]
2332-> ILE 67 HG12 - GLN 83 HG3 [ 1.80 4.23] 0.36 0.42 0.00 0.26 0.00 0.22 0.00 0.37 0.21 0.40 0.00 0.13 0.00 0.00 0.36 0.21 0.00 0.36 0.20 0.00 - 12 [ 0.13 .. 0.42]
2333-> ASP 84 HA - LEU 87 HD2* [ 1.80 4.00] 0.75 0.83 0.72 0.82 0.91 0.90 0.98 0.61 0.86 0.65 0.85 0.55 0.91 1.14 0.76 0.75 0.90 0.67 0.84 1.04 - 20 [ 0.55 .. 1.14]
2336-> ASP 84 HB3 - LEU 87 HD2* [ 1.80 5.57] 0.98 1.02 0.95 1.03 1.19 1.13 1.15 0.83 1.06 0.90 1.08 0.77 1.17 1.43 0.98 1.00 1.13 0.93 1.05 1.29 - 20 [ 0.77 .. 1.43]
2338-> ASP 84 HB2 - LEU 87 HD2* [ 1.80 6.51] 0.73 0.84 0.71 0.81 0.87 0.88 0.93 0.61 0.85 0.65 0.80 0.56 0.88 1.05 0.75 0.75 0.90 0.67 0.83 0.97 - 20 [ 0.56 .. 1.05]
2346-> TYR 44 HE* - ALA 85 HA [ 1.80 5.74] 0.00 0.40 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.55 0.00 0.77 0.00 - 5 [ 0.35 .. 0.77]
2350-> ILE 60 HD1* - LYS 86 HB3 [ 1.80 5.64] 1.33 1.20 0.10 1.28 1.07 1.25 0.18 1.34 1.21 1.14 1.15 1.28 1.12 0.91 1.21 1.21 1.30 1.26 1.33 1.15 - 20 [ 0.10 .. 1.34]
2351-> ILE 60 HD1* - LYS 86 HB2 [ 1.80 5.39] 1.41 1.23 0.00 1.39 1.18 1.36 0.00 1.47 1.31 1.20 1.27 1.30 1.23 0.98 1.37 1.19 1.34 1.35 1.38 1.26 - 18 [ 0.98 .. 1.47]
2353-> ILE 60 HD1* - LYS 86 HA [ 1.80 5.00] 0.55 0.32 0.00 0.52 0.24 0.47 0.00 0.73 0.39 0.29 0.44 0.42 0.33 0.00 0.55 0.28 0.42 0.49 0.48 0.35 - 17 [ 0.24 .. 0.73]
2355-> ALA 89 HA - LEU 92 HG [ 1.80 4.03] 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 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 [ 0.92 .. 0.92]
2362-> ILE 60 HG13 - GLU 90 HG2 [ 1.80 4.83] 0.00 0.07 0.30 0.00 0.07 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.01 0.00 0.00 0.00 - 6 [ 0.01 .. 0.30]
2365-> LEU 87 HD1* - GLU 90 HB3 [ 1.80 7.11] 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 0.36 0.00 0.00 0.00 0.00 - 2 [ 0.16 .. 0.36]
2369-> LEU 87 HD1* - GLU 90 HB2 [ 1.80 5.75] 0.01 0.03 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.10 0.00 0.33 0.00 0.00 0.00 0.50 0.11 0.04 0.10 0.00 - 9 [ 0.01 .. 0.50]
2371-> PRO 3 HB2 - THR 8 HG2* [ 1.80 5.75] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.02 0.00 0.85 - 3 [ 0.02 .. 0.85]
2373-> GLU 4 HA - ARG 9 HD2 [ 1.80 5.28] 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.26 0.00 0.00 0.84 0.00 0.00 0.35 0.00 0.41 0.55 - 6 [ 0.26 .. 0.84]
2374-> ASP 5 HB3 - PRO 6 HD2 [ 1.80 4.49] 0.13 0.00 0.14 0.12 0.10 0.16 0.23 0.21 0.22 0.12 0.00 0.21 0.11 0.16 0.15 0.00 0.00 0.21 0.08 0.23 - 16 [ 0.08 .. 0.23]
2375-> PHE 7 HB2 - TYR 39 HE* [ 1.80 6.19] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 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 [ 0.89 .. 0.89]
2382-> ASP 5 HN - ARG 9 HB3 [ 1.80 7.48] 0.00 0.00 0.00 0.52 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 0.30 0.00 - 3 [ 0.12 .. 0.52]
2387-> PHE 7 HD* - ALA 11 HB* [ 1.80 4.50] 0.95 0.66 0.84 0.47 0.84 1.28 0.81 0.74 0.79 0.70 1.23 0.78 1.22 0.70 1.30 0.71 1.24 1.29 0.66 0.00 - 19 [ 0.47 .. 1.30]
2395-> ALA 11 HB* - GLU 15 HG3 [ 1.80 5.75] 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 - 2 [ 0.65 .. 0.83]
2397-> LEU 12 HG - HIS 16 HD2 [ 1.80 4.75] 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 1.53 1.55 0.00 0.00 1.42 0.00 1.46 0.00 0.00 1.12 - 6 [ 1.12 .. 1.55]
2398-> LEU 12 HD1* - HIS 16 HD2 [ 1.80 4.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.27 0.00 0.00 0.10 0.00 0.14 0.00 0.00 0.00 - 4 [ 0.10 .. 0.27]
2399-> ARG 9 HA - LEU 12 HD2* [ 1.80 4.28] 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.06 0.21 0.00 0.00 0.02 0.00 0.10 0.00 0.00 0.23 - 6 [ 0.02 .. 0.23]
2405-> LEU 12 HG - ALA 13 HA [ 1.80 5.15] 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 1.44 1.45 0.00 0.00 1.45 0.00 1.44 0.00 0.00 1.42 - 6 [ 1.42 .. 1.45]
2407-> ALA 13 HA - LEU 17 HG [ 1.80 5.76] 0.00 0.00 0.00 0.00 0.00 1.53 0.00 1.73 0.00 0.00 2.47 0.00 0.00 0.00 2.42 2.32 2.39 0.00 0.00 2.07 - 7 [ 1.53 .. 2.47]
2409-> ALA 13 HB* - LEU 17 HD1* [ 1.80 4.44] 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.27 0.00 0.00 1.37 0.00 0.00 0.00 1.39 1.07 1.30 0.00 0.00 0.93 - 7 [ 0.19 .. 1.39]
2416-> ALA 13 HA - HIS 16 HD2 [ 1.80 4.37] 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 1.22 0.00 0.00 0.00 0.00 - 1 [ 1.22 .. 1.22]
2418-> ALA 13 HB* - HIS 16 HD2 [ 1.80 5.89] 0.00 0.00 0.00 0.00 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 - 1 [ 0.82 .. 0.82]
2421-> GLN 14 HG2 - PHE 29 HE* [ 1.80 5.49] 1.60 1.70 1.47 1.60 0.00 0.33 0.00 1.00 1.41 1.28 1.05 1.80 0.00 1.49 0.76 1.39 0.88 1.53 1.78 0.00 - 16 [ 0.33 .. 1.80]
2422-> TYR 10 HD* - GLN 14 HG3 [ 1.80 5.57] 1.15 1.24 1.29 1.38 0.00 0.91 0.00 0.42 1.38 1.05 0.64 1.19 0.00 1.13 0.53 1.42 0.77 1.29 1.46 0.00 - 16 [ 0.42 .. 1.46]
2423-> GLN 14 HG3 - PHE 29 HE* [ 1.80 6.35] 0.58 0.64 0.46 0.61 0.00 0.00 0.00 0.00 0.37 0.27 0.00 0.75 0.00 0.52 0.00 0.42 0.00 0.51 0.75 0.00 - 11 [ 0.27 .. 0.75]
2424-> TYR 10 HE* - GLN 14 HG3 [ 1.80 5.06] 1.31 1.46 1.49 1.63 0.00 0.66 0.00 0.19 1.50 1.17 0.32 1.50 0.00 1.20 0.18 1.77 0.45 1.41 1.58 0.00 - 16 [ 0.18 .. 1.77]
2429-> LEU 17 HD2* - PHE 29 HE* [ 1.80 4.38] 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.21 .. 0.85]
2431-> LEU 17 HD2* - LEU 49 HB2 [ 1.80 4.59] 0.34 0.25 0.36 0.73 0.00 0.00 0.00 1.35 0.00 0.22 0.00 0.26 0.00 0.64 0.00 1.37 0.00 0.56 0.00 0.99 - 11 [ 0.22 .. 1.37]
2432-> LEU 17 HB3 - ALA 22 HA [ 1.80 5.62] 0.60 0.67 0.43 0.00 0.83 0.00 0.69 1.18 0.72 1.00 1.12 0.87 0.64 0.04 1.13 0.00 1.02 0.00 0.59 0.00 - 15 [ 0.04 .. 1.18]
2437-> LEU 26 HD1* - PHE 29 HB3 [ 1.80 5.66] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.16 .. 1.58]
2439-> LEU 26 HG - GLU 30 HG3 [ 1.80 6.11] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.55 .. 3.46]
2442-> LEU 26 HD1* - LEU 46 HG [ 1.80 5.55] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.22 .. 0.83]
2443-> LEU 26 HD1* - LEU 49 HA [ 1.80 6.53] 0.00 0.00 0.00 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]
2449-> LEU 28 HD1* - LEU 49 HD2* [ 1.80 6.87] 0.23 0.25 0.64 0.67 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.38 0.00 0.51 0.00 0.56 0.00 0.72 0.00 0.58 - 10 [ 0.23 .. 0.72]
2450-> LEU 12 HG - LEU 28 HD1* [ 1.80 3.89] 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 1.17 0.74 0.00 0.00 1.23 0.00 1.31 0.00 0.00 1.10 - 6 [ 0.74 .. 1.33]
2452-> HIS 16 HD2 - LEU 28 HD1* [ 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 0.00 1.22 0.00 0.00 0.00 0.00 - 1 [ 1.22 .. 1.22]
2454-> HIS 16 HD2 - LEU 28 HD2* [ 1.80 4.70] 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 2.52 0.00 0.00 0.00 0.00 - 1 [ 2.52 .. 2.52]
2455-> ALA 25 HA - LEU 28 HD2* [ 1.80 5.13] 0.00 0.00 0.08 0.00 0.06 0.00 0.07 0.00 0.16 0.00 0.15 0.00 0.02 0.00 0.25 0.05 0.10 0.00 0.00 0.00 - 9 [ 0.02 .. 0.25]
2466-> ARG 9 HE - LEU 32 HD2* [ 1.80 4.90] 1.50 0.75 0.47 0.62 0.55 0.00 0.93 0.86 0.51 0.00 0.00 0.64 1.78 0.00 0.00 0.00 0.00 2.08 0.72 0.00 - 12 [ 0.47 .. 2.08]
2473-> VAL 33 HG1* - THR 62 HG2* [ 1.80 4.96] 0.00 0.14 0.00 0.00 0.00 0.00 0.46 0.78 0.00 0.00 0.49 0.32 0.00 0.00 0.61 0.00 0.39 0.00 0.60 0.00 - 8 [ 0.14 .. 0.78]
2474-> VAL 33 HG1* - GLU 34 HB3 [ 1.80 4.68] 0.64 0.56 0.61 0.61 0.56 0.63 0.66 0.66 0.62 0.59 0.60 0.65 0.64 0.50 0.62 0.61 0.64 0.60 0.69 0.44 - 20 [ 0.44 .. 0.69]
2475-> GLU 31 HB3 - THR 35 HG2* [ 1.80 5.75] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.64 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.70 0.00 0.00 0.00 - 4 [ 0.19 .. 1.05]
2477-> TYR 39 HA - VAL 40 HB [ 1.80 5.14] 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.52 0.00 0.00 0.60 0.00 0.00 0.57 0.00 0.00 0.00 0.59 0.00 0.00 - 5 [ 0.52 .. 0.60]
2478-> TYR 39 HA - VAL 40 HG2* [ 1.80 5.27] 0.24 0.21 0.22 0.24 0.00 0.33 0.25 0.00 0.29 0.20 0.00 0.20 0.19 0.00 0.00 0.16 0.23 0.00 0.20 0.00 - 13 [ 0.16 .. 0.33]
2480-> VAL 40 HB - VAL 69 HG2* [ 1.80 4.91] 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 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 [ 0.99 .. 0.99]
2482-> VAL 40 HG1* - VAL 69 HG2* [ 1.80 4.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 - 2 [ 1.16 .. 1.18]
2483-> VAL 40 HG1* - LEU 82 HG [ 1.80 4.88] 0.98 0.80 0.82 0.77 0.45 0.93 1.03 0.23 0.72 0.63 0.16 0.57 0.91 0.17 0.00 0.64 0.94 0.12 0.92 0.00 - 18 [ 0.12 .. 1.03]
2488-> VAL 40 HG2* - GLU 73 HG2 [ 1.80 5.11] 0.72 1.58 2.10 1.42 2.91 1.43 1.55 0.16 1.51 1.47 2.78 1.54 1.32 2.81 0.34 1.70 1.97 2.34 1.50 0.00 - 19 [ 0.16 .. 2.91]
2489-> VAL 40 HG2* - GLU 73 HB3 [ 1.80 4.99] 0.13 0.92 1.39 0.78 1.46 0.84 0.93 0.32 0.86 0.87 1.31 0.87 0.72 1.28 0.00 1.01 1.39 0.75 0.79 0.00 - 18 [ 0.13 .. 1.46]
2498-> LEU 26 HA - LEU 49 HD2* [ 1.80 3.81] 0.59 0.57 0.78 0.90 0.00 0.00 0.00 1.27 0.00 0.70 0.00 0.81 0.00 0.68 0.00 0.89 0.00 0.83 0.00 0.43 - 11 [ 0.43 .. 1.27]
2502-> LEU 49 HD1* - ARG 52 HN [ 1.80 5.23] 1.32 1.30 1.16 1.40 0.00 0.00 0.00 1.39 0.00 1.17 0.00 1.19 0.00 1.34 0.00 1.40 0.00 1.20 0.00 1.32 - 11 [ 1.16 .. 1.40]
2503-> PHE 29 HD* - LEU 49 HD2* [ 1.80 3.89] 0.68 0.65 0.79 0.75 0.00 0.00 0.00 0.70 0.00 0.73 0.00 0.74 0.00 0.72 0.00 0.65 0.00 0.80 0.00 0.50 - 11 [ 0.50 .. 0.80]
2506-> PHE 29 HB2 - LEU 49 HD2* [ 1.80 6.08] 0.02 0.08 0.25 0.28 0.00 0.00 0.00 0.35 0.00 0.20 0.00 0.23 0.00 0.20 0.00 0.21 0.00 0.37 0.00 0.00 - 10 [ 0.02 .. 0.37]
2511-> LEU 26 HB2 - LEU 49 HD2* [ 1.80 3.85] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 - 2 [ 0.02 .. 1.65]
2518-> ALA 22 HB* - LEU 53 HD2* [ 1.80 3.82] 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.00 0.30 0.00 0.26 - 4 [ 0.18 .. 0.34]
2519-> ARG 52 HG3 - LEU 53 HD2* [ 1.80 6.33] 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 0.00 - 1 [ 0.11 .. 0.11]
2522-> LEU 26 HD2* - ARG 55 HG2 [ 1.80 5.82] 0.00 0.00 1.02 0.91 0.00 0.59 0.63 0.72 0.00 0.00 0.92 0.03 0.00 1.20 2.74 0.05 0.19 1.03 0.11 0.11 - 14 [ 0.03 .. 2.74]
2523-> LEU 53 HD2* - ARG 55 HG2 [ 1.80 6.26] 0.00 0.00 0.36 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 0.00 0.00 0.00 - 2 [ 0.26 .. 0.36]
2524-> GLU 51 HG2 - THR 56 HA [ 1.80 5.09] 1.76 1.06 0.00 1.54 0.00 1.57 0.00 0.90 0.00 0.00 1.82 0.00 0.00 1.15 0.00 0.00 0.00 1.38 0.00 0.00 - 8 [ 0.90 .. 1.82]
2525-> THR 56 HG2* - LEU 92 HD1* [ 1.80 3.91] 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]
2526-> THR 56 HG2* - ILE 60 HD1* [ 1.80 3.80] 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.35 0.00 0.00 1.14 0.00 1.03 0.00 1.16 - 6 [ 0.76 .. 1.35]
2527-> THR 56 HG2* - ALA 89 HB* [ 1.80 3.74] 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.60 0.26 0.00 0.00 0.76 0.00 1.27 0.00 0.68 - 7 [ 0.21 .. 1.27]
2531-> GLU 51 HG2 - THR 56 HG2* [ 1.80 4.38] 2.83 2.01 0.00 2.70 0.00 2.25 0.11 2.22 0.00 0.00 2.87 0.00 0.00 1.67 0.82 0.00 0.97 0.82 0.62 0.00 - 12 [ 0.11 .. 2.87]
2532-> THR 56 HG2* - ILE 60 HG12 [ 1.80 4.65] 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 0.00 1.75 0.00 1.87 0.00 1.73 - 6 [ 1.57 .. 1.87]
2533-> GLU 51 HB3 - THR 56 HG2* [ 1.80 6.82] 0.93 0.33 0.00 0.91 0.00 0.19 0.00 1.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 - 7 [ 0.09 .. 1.11]
2534-> GLU 51 HG3 - THR 56 HG2* [ 1.80 6.41] 0.00 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 0.10 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.10 .. 1.09]
2535-> THR 56 HG2* - ALA 89 HA [ 1.80 4.66] 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 0.34 0.00 0.00 - 1 [ 0.34 .. 0.34]
2536-> THR 56 HG2* - ASP 57 HA [ 1.80 4.81] 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.81 0.00 0.00 0.77 0.00 0.68 0.00 0.75 - 6 [ 0.68 .. 0.81]
2548-> ILE 60 HD1* - LYS 86 HG2 [ 1.80 6.06] 0.00 0.00 0.77 0.00 0.00 0.00 0.78 0.00 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 .. 0.78]
2549-> ILE 60 HD1* - LYS 88 HG3 [ 1.80 6.59] 2.45 2.35 2.20 2.42 2.33 2.38 2.07 2.59 2.28 2.35 2.35 2.44 2.26 2.06 2.40 2.40 2.42 2.42 2.39 2.31 - 20 [ 2.06 .. 2.59]
2554-> ALA 64 HA - GLU 68 HG3 [ 1.80 6.33] 1.84 1.30 1.73 0.00 0.00 1.75 0.00 1.72 1.81 1.32 1.66 0.00 1.68 1.70 1.06 0.00 0.00 1.16 0.00 1.24 - 13 [ 1.06 .. 1.84]
2559-> ALA 64 HB* - GLN 65 HG3 [ 1.80 5.46] 0.00 0.00 0.00 0.00 0.45 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 - 2 [ 0.42 .. 0.45]
2562-> ILE 67 HG2* - ARG 71 HG2 [ 1.80 4.23] 0.24 2.18 0.00 2.16 1.70 0.00 2.20 2.15 2.17 2.13 0.00 1.89 2.25 0.00 2.13 1.94 1.90 2.16 2.21 1.74 - 16 [ 0.24 .. 2.25]
2566-> ILE 67 HD1* - LEU 79 HA [ 1.80 5.46] 0.00 0.00 0.00 0.00 0.00 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 0.00 - 1 [ 0.10 .. 0.10]
2567-> ILE 67 HB - GLU 68 HG3 [ 1.80 6.33] 0.42 0.04 0.46 0.00 0.00 0.44 0.00 0.49 0.50 0.04 0.47 0.00 0.45 0.52 0.00 0.00 0.00 0.05 0.00 0.11 - 12 [ 0.04 .. 0.52]
2569-> ILE 67 HG2* - GLU 68 HG3 [ 1.80 5.19] 0.61 0.13 0.66 0.00 0.13 0.67 0.23 0.66 0.65 0.19 0.65 0.00 0.66 0.68 0.12 0.00 0.25 0.13 0.21 0.16 - 17 [ 0.12 .. 0.68]
2570-> ALA 64 HB* - GLU 68 HG2 [ 1.80 6.01] 0.39 1.43 0.24 0.00 0.00 0.35 0.00 0.37 0.46 1.43 0.17 0.00 0.33 0.27 1.18 0.00 0.00 1.25 0.00 1.41 - 13 [ 0.17 .. 1.43]
2572-> ILE 67 HB - GLU 68 HG2 [ 1.80 4.65] 2.24 2.38 2.22 0.41 0.00 2.22 0.00 2.35 2.34 2.37 2.23 0.36 2.28 2.33 2.34 0.38 0.00 2.37 0.00 2.44 - 16 [ 0.36 .. 2.44]
2574-> ILE 67 HG2* - GLU 68 HG2 [ 1.80 5.46] 0.81 0.55 0.76 0.00 0.00 0.84 0.00 0.91 0.88 0.58 0.76 0.00 0.88 0.87 0.53 0.00 0.00 0.54 0.00 0.55 - 13 [ 0.53 .. 0.91]
2578-> VAL 69 HG2* - ALA 70 HB* [ 1.80 4.19] 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 - 3 [ 0.88 .. 0.92]
2582-> VAL 69 HG2* - LEU 82 HD1* [ 1.80 4.36] 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.87 0.81 0.00 0.00 0.00 0.00 - 4 [ 0.75 .. 0.95]
2583-> VAL 69 HG2* - ALA 70 HA [ 1.80 4.24] 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 - 3 [ 1.20 .. 1.23]
2586-> ALA 70 HB* - ARG 71 HG2 [ 1.80 4.73] 0.00 1.41 0.00 1.46 1.35 0.00 1.46 1.50 1.44 1.42 0.00 1.42 1.45 0.00 1.42 1.47 1.31 1.44 1.45 1.50 - 15 [ 1.31 .. 1.50]
2592-> GLU 68 HG3 - ALA 70 HB* [ 1.80 7.48] 0.00 0.00 0.00 0.00 0.22 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 - 4 [ 0.00 .. 0.22]
2593-> ALA 70 HB* - GLN 83 HG2 [ 1.80 7.48] 0.81 0.46 0.00 0.60 0.00 0.73 0.00 0.64 0.47 0.59 0.00 0.62 0.00 0.00 0.51 0.65 0.00 0.64 0.59 0.00 - 12 [ 0.46 .. 0.81]
2595-> ILE 67 HG2* - ARG 71 HD2 [ 1.80 5.05] 0.02 0.00 0.00 0.00 0.86 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 - 4 [ 0.01 .. 1.08]
2596-> ILE 67 HG2* - ARG 71 HD3 [ 1.80 5.05] 0.00 0.42 0.00 0.39 0.00 0.00 0.44 0.65 0.41 0.40 0.00 0.38 0.45 0.00 0.42 0.41 0.00 0.39 0.42 0.23 - 13 [ 0.23 .. 0.65]
2597-> ARG 71 HB2 - GLU 72 HA [ 1.80 5.37] 0.00 0.33 0.00 0.34 0.29 0.00 0.37 0.29 0.35 0.35 0.00 0.26 0.38 0.00 0.30 0.28 0.28 0.35 0.35 0.34 - 15 [ 0.26 .. 0.38]
2600-> VAL 40 HG2* - GLU 73 HA [ 1.80 6.76] 0.00 0.02 0.18 0.00 0.65 0.00 0.00 0.05 0.00 0.00 0.48 0.00 0.00 0.38 0.00 0.01 0.27 0.09 0.00 0.00 - 9 [ 0.01 .. 0.65]
2602-> VAL 69 HG1* - GLU 73 HG3 [ 1.80 5.88] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 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 [ 0.27 .. 0.27]
2607-> THR 75 HB - LYS 77 HB3 [ 1.80 5.61] 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 0.00 - 1 [ 0.15 .. 0.15]
2622-> ARG 71 HG2 - LEU 79 HD2* [ 1.80 4.65] 0.53 0.00 0.45 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.37 0.25 0.01 0.27 0.00 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.01 .. 0.53]
2626-> THR 56 HB - LEU 92 HD1* [ 1.80 4.90] 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 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 [ 1.32 .. 1.32]
2632-> ASP 78 HA - GLU 81 HG3 [ 1.80 5.45] 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 0.00 0.00 0.00 - 1 [ 0.51 .. 0.51]
2634-> LEU 82 HD1* - LYS 86 HD2 [ 1.80 7.48] 0.00 0.00 0.74 0.00 0.63 0.00 0.71 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.57 .. 0.74]
2635-> ASP 78 HB3 - LEU 82 HD1* [ 1.80 4.96] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.49 .. 0.49]
2639-> LEU 79 HA - LEU 82 HD1* [ 1.80 5.14] 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 0.39 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.39 .. 0.39]
2642-> GLY 66 HN - LEU 82 HD2* [ 1.80 5.12] 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 1.15 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.15 .. 1.15]
2643-> ILE 67 HN - LEU 82 HD2* [ 1.80 5.05] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.49 .. 0.49]
2646-> TYR 43 HB2 - LEU 82 HD2* [ 1.80 4.24] 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 0.63 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.63 .. 0.63]
2652-> ASP 84 HB2 - LEU 87 HB3 [ 1.80 6.97] 0.09 0.11 0.03 0.16 0.30 0.20 0.37 0.00 0.20 0.00 0.23 0.00 0.25 0.47 0.07 0.02 0.20 0.01 0.12 0.39 - 18 [ 0.00 .. 0.47]
2653-> GLN 83 HB2 - ASP 84 HB2 [ 1.80 5.61] 0.52 0.63 0.00 0.57 0.00 0.60 0.00 0.52 0.57 0.58 0.00 0.58 0.00 0.00 0.60 0.59 0.00 0.55 0.57 0.00 - 12 [ 0.52 .. 0.63]
2654-> GLN 83 HB3 - ASP 84 HB2 [ 1.80 5.69] 0.00 0.00 0.06 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.01 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.08 - 6 [ 0.00 .. 0.10]
2657-> LYS 86 HG3 - LEU 87 HD2* [ 1.80 5.06] 0.47 0.44 0.00 0.40 0.60 0.40 0.00 0.43 0.35 0.61 0.48 0.57 0.35 0.28 0.47 0.48 0.39 0.50 0.42 0.41 - 18 [ 0.28 .. 0.61]
2659-> ILE 60 HG2* - LYS 86 HE3 [ 1.80 3.94] 0.00 0.00 1.45 0.00 0.78 0.00 1.27 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.78 .. 1.45]
2661-> ILE 60 HD1* - LEU 87 HA [ 1.80 5.11] 0.86 0.87 0.45 0.74 0.87 0.65 0.12 0.78 0.68 1.02 0.70 1.02 0.55 0.42 0.66 1.00 0.84 0.82 0.85 0.66 - 20 [ 0.12 .. 1.02]
2664-> LEU 87 HD1* - LYS 88 HG2 [ 1.80 5.84] 0.36 0.34 0.37 0.41 0.18 0.35 0.45 0.38 0.39 0.33 0.39 0.20 0.33 0.39 0.39 0.24 0.30 0.30 0.38 0.39 - 20 [ 0.18 .. 0.45]
2666-> ALA 85 HB* - LYS 88 HG3 [ 1.80 5.30] 0.00 0.00 0.00 0.00 0.25 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 0.00 0.00 - 2 [ 0.10 .. 0.25]
2668-> ILE 60 HG2* - LYS 86 HE2 [ 1.80 4.52] 0.00 0.00 1.40 0.00 0.44 0.00 1.31 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.44 .. 1.40]
2671-> ALA 64 HA - LYS 86 HE3 [ 1.80 5.55] 0.00 0.00 0.90 0.00 0.00 0.00 0.93 0.00 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 [ 0.90 .. 0.93]
2672-> ALA 64 HN - LYS 86 HE2 [ 1.80 6.36] 0.00 0.00 0.84 0.00 0.00 0.00 0.71 0.00 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 [ 0.71 .. 0.84]
2673-> ALA 64 HN - LYS 86 HE3 [ 1.80 6.07] 0.00 0.00 1.69 0.00 0.00 0.00 1.48 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 - 2 [ 1.48 .. 1.69]
2676-> TYR 10 HA - GLN 14 HG3 [ 1.80 5.89] 1.90 1.99 2.03 2.12 0.00 1.52 0.00 1.11 2.15 2.03 1.41 2.01 0.00 2.08 1.30 2.08 1.56 2.06 2.05 0.00 - 16 [ 1.11 .. 2.15]
2678-> LEU 26 HD2* - LEU 46 HD1* [ 1.80 4.09] 0.09 0.00 0.10 0.00 0.23 1.07 0.08 0.00 0.27 0.05 0.07 0.06 0.24 0.09 0.00 0.02 0.39 0.10 0.15 0.11 - 16 [ 0.02 .. 1.07]
2679-> LEU 26 HD1* - LEU 49 HD2* [ 1.80 3.55] 0.23 0.06 0.38 0.17 0.00 0.00 0.00 0.53 0.00 0.40 0.00 0.52 0.00 0.32 0.00 0.43 0.00 0.19 0.00 0.00 - 10 [ 0.06 .. 0.53]
2681-> LEU 26 HD2* - LEU 49 HD2* [ 1.80 4.03] 0.25 0.24 0.45 0.18 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.53 0.00 0.56 0.00 0.69 0.00 0.35 0.00 0.00 - 9 [ 0.18 .. 0.69]
2682-> LEU 26 HD1* - LEU 49 HG [ 1.80 5.01] 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 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.82 .. 0.82]
2686-> TYR 43 HB2 - TYR 63 HA [ 1.80 4.93] 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 0.00 0.00 - 1 [ 0.10 .. 0.10]
2692-> ALA 85 HB* - LYS 86 HG2 [ 1.80 6.16] 0.03 0.09 0.00 0.13 0.05 0.08 0.00 0.08 0.12 0.00 0.11 0.01 0.05 0.09 0.08 0.00 0.06 0.05 0.06 0.10 - 16 [ 0.01 .. 0.13]
2694-> LEU 17 HD1* - ALA 22 HB* [ 1.80 5.75] 0.23 0.28 0.01 0.00 0.44 0.00 0.30 0.00 0.28 0.55 0.00 0.45 0.28 0.00 0.00 0.00 0.00 0.00 0.19 0.00 - 10 [ 0.01 .. 0.55]
2695-> GLN 14 HA - LEU 17 HD1* [ 1.80 3.85] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 1.18 1.24 1.18 0.00 0.00 0.97 - 5 [ 0.97 .. 1.24]
2699-> TYR 43 HE* - LEU 82 HD2* [ 1.80 6.79] 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.04 0.00 0.06 0.00 - 4 [ 0.04 .. 0.95]
2701-> PRO 3 HA - ASP 5 HB2 [ 1.80 6.08] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.75 - 4 [ 0.01 .. 0.75]
2702-> PRO 3 HA - THR 8 HB [ 1.80 4.68] 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 0.00 0.00 0.00 0.00 0.00 0.49 - 1 [ 0.49 .. 0.49]
2704-> PRO 3 HB2 - THR 8 HB [ 1.80 6.12] 0.25 0.01 0.48 0.00 0.40 0.00 0.42 0.59 0.66 0.21 0.00 0.63 0.24 0.81 0.00 0.00 0.00 0.76 0.00 1.56 - 13 [ 0.01 .. 1.56]
2708-> PRO 6 HA - ARG 9 HD2 [ 1.80 4.98] 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 0.97 0.00 0.00 0.28 0.00 - 2 [ 0.28 .. 0.97]
2709-> THR 8 HB - ARG 9 HD2 [ 1.80 5.97] 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.54 0.00 1.22 1.08 0.47 0.00 1.45 0.00 0.50 1.00 0.00 0.43 1.40 - 10 [ 0.43 .. 1.45]
2710-> LEU 12 HD1* - GLU 15 HG3 [ 1.80 4.32] 0.00 0.60 0.00 0.00 0.00 1.84 0.00 0.04 0.00 0.00 2.10 2.00 0.00 0.00 2.13 0.01 1.77 0.00 0.00 3.24 - 9 [ 0.01 .. 3.24]
2711-> LEU 12 HD2* - HIS 16 HD2 [ 1.80 5.28] 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 0.17 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
2712-> GLN 14 HG2 - LEU 17 HD1* [ 1.80 5.65] 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 0.84 2.06 0.92 0.00 0.00 0.41 - 5 [ 0.41 .. 2.06]
2713-> ALA 13 HB* - GLN 14 HG2 [ 1.80 5.58] 0.88 0.80 0.85 0.84 0.00 0.66 0.00 0.71 0.89 0.88 0.74 0.89 0.00 0.81 0.74 0.78 0.75 0.86 0.87 0.00 - 16 [ 0.66 .. 0.89]
2716-> LEU 17 HG - PHE 29 HE* [ 1.80 6.08] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 - 1 [ 0.38 .. 0.38]
2717-> LEU 87 HG - LYS 88 HG2 [ 1.80 5.22] 2.31 2.29 2.32 2.33 2.22 2.30 2.29 2.29 2.29 2.29 2.31 2.19 2.28 2.33 2.32 2.23 2.29 2.29 2.33 2.30 - 20 [ 2.19 .. 2.33]
2718-> HIS 16 HN - ASN 21 HB3 [ 1.80 6.54] 0.21 0.20 0.17 0.05 0.19 0.00 0.16 0.15 0.20 0.31 0.15 0.25 0.20 0.12 0.08 0.55 0.03 0.06 0.19 0.00 - 18 [ 0.03 .. 0.55]
2720-> ALA 22 HB* - LEU 53 HG [ 1.80 4.95] 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 0.00 0.00 0.04 0.00 0.22 - 3 [ 0.03 .. 0.22]
2721-> LEU 17 HB3 - ALA 22 HB* [ 1.80 5.04] 1.53 1.64 1.25 0.63 1.68 0.93 1.61 2.08 1.50 1.99 2.27 1.79 1.53 0.83 2.35 0.80 2.21 0.68 1.52 0.57 - 20 [ 0.57 .. 2.35]
2724-> ALA 25 HB* - LEU 49 HB2 [ 1.80 5.01] 0.29 0.35 0.31 0.76 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.32 0.00 0.43 0.00 0.43 0.00 0.64 0.00 0.93 - 11 [ 0.00 .. 0.93]
2733-> VAL 40 HG2* - TYR 43 HE* [ 1.80 6.03] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
2741-> TYR 44 HA - LYS 48 HD3 [ 1.80 6.06] 1.30 1.02 1.34 1.24 0.99 0.99 2.17 1.43 1.03 1.15 0.60 1.32 0.96 0.73 1.22 1.21 1.08 1.13 1.07 1.22 - 20 [ 0.60 .. 2.17]
2743-> GLY 47 HA3 - ILE 60 HD1* [ 1.80 6.68] 1.93 1.97 1.80 1.81 1.40 1.67 1.70 2.23 1.75 1.78 1.63 1.90 1.84 1.44 1.86 1.60 1.97 1.71 1.98 1.61 - 20 [ 1.40 .. 2.23]
2745-> LYS 48 HB2 - LEU 49 HB2 [ 1.80 5.55] 0.35 0.29 0.33 0.44 0.31 0.28 0.27 0.50 0.30 0.35 0.37 0.37 0.29 0.40 0.40 0.44 0.33 0.33 0.27 0.29 - 20 [ 0.27 .. 0.50]
2747-> ALA 22 HB* - LEU 53 HB3 [ 1.80 6.56] 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.38 0.00 0.72 0.00 0.76 - 5 [ 0.38 .. 0.76]
2756-> LEU 26 HD2* - ARG 52 HB2 [ 1.80 7.48] 0.00 0.00 0.00 0.00 0.00 0.35 0.40 0.00 0.15 0.00 1.13 0.00 0.00 0.00 2.76 0.00 0.03 0.00 0.12 0.00 - 7 [ 0.03 .. 2.76]
2757-> GLU 51 HB3 - LEU 92 HD2* [ 1.80 6.64] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.24 .. 0.37]
2763-> ALA 22 HA - LEU 53 HD2* [ 1.80 5.55] 0.00 0.00 0.15 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.77 0.00 1.08 0.00 0.90 - 6 [ 0.15 .. 1.19]
2768-> ASP 54 HA - ARG 55 HG2 [ 1.80 5.80] 0.00 0.00 0.27 0.27 0.00 0.04 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.35 0.00 0.00 - 6 [ 0.04 .. 0.35]
2771-> GLU 51 HG2 - ALA 59 HA [ 1.80 6.69] 1.37 0.85 0.00 1.66 0.00 2.12 0.00 0.00 0.00 0.64 1.90 0.00 0.00 1.95 0.00 0.00 0.00 1.78 0.00 0.00 - 8 [ 0.64 .. 2.12]
2777-> GLY 66 HA3 - GLU 68 HG3 [ 1.80 7.48] 0.70 1.21 0.65 0.00 0.55 0.63 0.31 0.61 0.67 1.13 0.65 0.00 0.56 0.67 1.24 0.00 0.45 1.24 0.29 1.18 - 17 [ 0.29 .. 1.24]
2779-> GLY 66 HA2 - GLU 68 HG3 [ 1.80 7.10] 0.01 0.71 0.00 0.00 0.29 0.00 0.06 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.81 0.00 0.20 0.77 0.07 0.65 - 10 [ 0.01 .. 0.81]
2790-> LEU 79 HB2 - GLN 83 HG3 [ 1.80 6.44] 1.62 1.34 0.00 1.50 0.00 1.73 0.00 1.48 1.40 1.58 0.00 1.44 0.00 0.00 1.49 1.48 0.00 1.57 1.54 0.00 - 12 [ 1.34 .. 1.73]
2793-> LYS 88 HG3 - ALA 89 HA [ 1.80 6.34] 0.34 0.31 0.34 0.34 0.30 0.31 0.33 0.33 0.29 0.31 0.30 0.29 0.35 0.34 0.33 0.31 0.35 0.32 0.33 0.30 - 20 [ 0.29 .. 0.35]
2795-> LEU 87 HD1* - LYS 88 HA [ 1.80 5.06] 0.87 0.87 0.90 0.90 0.81 0.89 0.93 0.87 0.87 0.85 0.88 0.81 0.85 0.82 0.85 0.85 0.86 0.85 0.88 0.85 - 20 [ 0.81 .. 0.93]
2796-> LYS 86 HN - LYS 88 HG3 [ 1.80 5.93] 0.00 0.02 0.08 0.00 0.28 0.03 0.09 0.00 0.00 0.04 0.00 0.10 0.00 0.00 0.00 0.11 0.13 0.06 0.00 0.00 - 10 [ 0.02 .. 0.28]
2802-> GLU 90 HA - LEU 92 HB2 [ 1.80 5.45] 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 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.49 .. 0.49]
2808-> ILE 60 HG2* - LYS 86 HB3 [ 1.80 4.47] 0.54 0.43 0.00 0.45 0.25 0.28 0.00 0.57 0.40 0.32 0.50 0.42 0.37 0.22 0.39 0.34 0.38 0.39 0.40 0.31 - 18 [ 0.22 .. 0.57]
2810-> GLN 83 HA - LYS 86 HG2 [ 1.80 4.80] 0.51 0.69 0.00 0.47 0.44 0.45 0.00 0.43 0.57 0.56 0.07 0.62 0.18 0.00 0.48 0.66 0.42 0.35 0.59 0.14 - 18 [ 0.00 .. 0.69]
2812-> GLN 83 HA - LYS 86 HD3 [ 1.80 3.88] 0.25 0.44 0.00 0.15 0.64 0.13 0.00 0.13 0.24 0.74 0.00 0.41 0.00 0.00 0.23 0.41 0.20 0.08 0.30 0.00 - 14 [ 0.08 .. 0.74]
2815-> GLN 14 HG3 - PHE 29 HZ [ 1.80 5.60] 0.75 0.79 0.65 0.88 0.00 0.00 0.00 0.00 0.57 0.34 0.00 1.02 0.00 0.80 0.00 0.61 0.00 0.76 1.07 0.00 - 11 [ 0.34 .. 1.07]
2817-> LEU 12 HB3 - HIS 16 HD2 [ 1.80 5.31] 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 1.66 0.00 0.00 0.00 0.00 - 1 [ 1.66 .. 1.66]
2818-> LEU 17 HD1* - ARG 52 HB2 [ 1.80 7.48] 0.31 0.23 0.17 0.47 0.00 0.00 0.00 0.00 0.05 0.24 0.00 0.30 0.00 0.78 0.00 0.00 0.00 0.36 0.00 0.00 - 9 [ 0.05 .. 0.78]
2819-> LEU 26 HB3 - LEU 49 HD2* [ 1.80 4.43] 0.31 0.37 0.51 0.65 0.00 0.00 0.00 1.70 0.00 0.50 0.00 0.54 0.00 0.56 0.00 0.81 0.00 0.70 0.00 0.20 - 11 [ 0.20 .. 1.70]
2822-> TYR 10 HD* - LEU 32 HD1* [ 1.80 3.76] 1.65 0.00 0.00 0.00 0.00 0.00 0.80 0.84 0.00 0.00 0.00 0.69 1.42 0.00 0.96 0.00 0.00 1.05 0.89 0.00 - 8 [ 0.69 .. 1.65]
2825-> LEU 32 HD1* - ASP 36 HB2 [ 1.80 6.90] 0.00 0.19 0.13 0.00 0.00 0.03 0.00 0.00 0.32 0.00 0.43 0.00 0.00 0.00 0.00 0.22 0.59 0.00 0.00 0.00 - 7 [ 0.03 .. 0.59]
2830-> ASP 38 HA - GLU 73 HG3 [ 1.80 5.40] 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.20 .. 0.20]
2832-> LYS 48 HD2 - ALA 85 HB* [ 1.80 5.23] 1.46 1.23 1.49 0.80 0.51 1.03 2.00 1.46 0.59 1.19 0.60 1.42 0.59 0.36 0.96 1.42 1.35 1.28 1.15 0.67 - 20 [ 0.36 .. 2.00]
2833-> LYS 48 HD3 - ALA 85 HB* [ 1.80 5.09] 2.77 2.59 2.79 2.18 1.86 2.38 2.16 2.82 1.95 2.50 0.01 2.70 1.96 0.00 2.26 2.79 2.69 2.64 2.46 2.08 - 19 [ 0.01 .. 2.82]
2834-> LEU 26 HD2* - LEU 49 HG [ 1.80 4.60] 1.39 1.41 1.48 1.04 0.00 0.21 0.00 0.00 0.00 1.41 0.05 1.51 0.00 1.61 1.32 1.40 0.00 1.35 0.00 1.42 - 13 [ 0.05 .. 1.61]
2835-> LEU 49 HG - LEU 53 HD2* [ 1.80 4.60] 1.79 1.61 2.10 2.37 0.00 0.00 0.00 1.76 0.00 2.09 0.00 1.80 0.00 2.21 0.00 2.22 0.00 2.22 0.00 1.63 - 11 [ 1.61 .. 2.37]
2837-> LEU 49 HG - LEU 53 HD1* [ 1.80 4.52] 0.27 0.20 0.96 1.16 0.00 0.00 0.00 0.47 0.00 0.93 0.00 0.56 0.00 1.00 0.00 0.92 0.00 1.14 0.00 0.35 - 11 [ 0.20 .. 1.16]
2846-> GLN 65 HA - GLU 68 HG2 [ 1.80 4.81] 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.56 0.03 0.00 0.58 0.00 0.68 - 6 [ 0.03 .. 0.68]
2847-> GLN 65 HA - GLU 68 HG3 [ 1.80 4.68] 0.27 0.71 0.22 0.00 0.00 0.24 0.00 0.32 0.49 0.61 0.19 0.00 0.28 0.35 0.66 0.00 0.00 0.72 0.00 0.67 - 13 [ 0.19 .. 0.72]
2851-> VAL 69 HB - GLU 73 HG3 [ 1.80 5.53] 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 - 3 [ 0.93 .. 1.03]
2855-> LEU 79 HD2* - GLN 83 HE21 [ 1.80 4.84] 2.10 1.71 0.00 1.99 0.00 2.21 0.00 1.98 1.80 1.96 0.00 1.87 0.00 0.00 1.96 1.92 0.00 1.98 2.05 0.00 - 12 [ 1.71 .. 2.21]
2856-> GLN 76 HE21 - LEU 79 HD2* [ 1.80 5.28] 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.11 0.30 - 5 [ 0.11 .. 0.43]
2865-> LYS 88 HG2 - ALA 89 HA [ 1.80 6.06] 0.53 0.52 0.55 0.52 0.52 0.51 0.58 0.53 0.48 0.51 0.51 0.51 0.53 0.50 0.54 0.53 0.55 0.52 0.52 0.51 - 20 [ 0.48 .. 0.58]
2866-> PRO 6 HA - ARG 9 HG2 [ 1.80 5.49] 0.00 0.30 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.67 0.00 - 4 [ 0.30 .. 1.20]
2867-> THR 56 HG2* - GLU 90 HA [ 1.80 4.57] 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 0.00 1.84 0.00 1.76 0.00 1.85 - 6 [ 0.90 .. 1.90]
2876-> PHE 7 HE* - TYR 10 HE* [ 1.80 6.11] 0.15 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.05 0.56 0.00 0.00 - 5 [ 0.05 .. 0.56]
2877-> PHE 7 HE* - ALA 11 HB* [ 1.80 7.48] 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.07 0.00 0.07 0.00 0.13 0.00 0.08 0.11 0.00 0.00 - 6 [ 0.07 .. 0.13]
2878-> TYR 10 HE* - HIS 45 HD2 [ 1.80 4.50] 1.55 1.54 1.76 1.79 1.39 1.42 1.57 1.63 1.43 1.79 1.63 1.69 1.40 1.73 1.52 1.59 1.30 1.71 1.52 1.59 - 20 [ 1.30 .. 1.79]
2885-> TYR 10 HE* - GLN 14 HG2 [ 1.80 6.11] 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.21 0.00 0.00 0.42 0.00 0.00 0.00 0.25 0.00 0.58 0.00 0.00 0.00 - 5 [ 0.21 .. 0.59]
2886-> TYR 10 HE* - LEU 32 HD1* [ 1.80 5.95] 1.22 0.00 0.00 0.00 0.00 0.00 0.39 0.42 0.00 0.00 0.00 0.28 0.99 0.00 0.52 0.00 0.00 0.63 0.50 0.00 - 8 [ 0.28 .. 1.22]
2887-> HIS 16 HD2 - LEU 28 HG [ 1.80 7.48] 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 0.25 0.00 0.00 0.00 0.00 - 1 [ 0.25 .. 0.25]
2896-> GLN 14 HE21 - PHE 29 HZ [ 1.80 6.81] 0.14 0.16 0.00 0.25 0.00 0.00 0.00 0.14 0.00 0.00 0.40 0.31 0.00 0.08 0.00 0.00 0.00 0.06 0.32 0.00 - 9 [ 0.06 .. 0.40]
2897-> GLN 14 HE22 - PHE 29 HZ [ 1.80 6.81] 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.82 0.00 0.00 1.20 0.00 0.00 0.00 0.74 0.00 0.39 0.00 0.00 0.00 - 5 [ 0.27 .. 1.20]
2901-> GLN 14 HG2 - PHE 29 HZ [ 1.80 5.12] 1.51 1.57 1.44 1.61 0.00 0.00 0.00 0.64 1.39 1.19 0.79 1.86 0.00 1.53 0.36 1.31 0.48 1.61 1.88 0.00 - 15 [ 0.36 .. 1.88]
2910-> LEU 32 HD1* - TYR 39 HD* [ 1.80 4.93] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 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 [ 0.64 .. 0.64]
2916-> ARG 9 HD3 - TYR 39 HE* [ 1.80 7.37] 0.85 1.62 1.48 0.74 2.18 0.00 2.72 4.35 1.11 1.78 0.71 2.28 1.69 1.51 0.42 2.40 0.60 2.02 2.44 1.75 - 19 [ 0.42 .. 4.35]
2917-> PRO 6 HG3 - TYR 39 HE* [ 1.80 6.43] 0.00 0.25 1.05 0.00 1.60 0.00 0.46 2.39 0.70 0.18 0.72 0.13 1.20 0.37 0.95 0.02 0.88 1.47 0.00 0.00 - 15 [ 0.02 .. 2.39]
2927-> TYR 43 HE* - GLN 65 HE22 [ 1.80 6.26] 0.47 0.41 0.46 0.00 0.00 0.42 0.35 0.51 0.48 0.00 0.00 0.00 0.41 0.56 0.38 0.00 0.37 0.39 0.40 0.44 - 14 [ 0.35 .. 0.56]
2940-> TYR 44 HE* - LYS 48 HG3 [ 1.80 5.99] 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.09 0.43 0.16 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 - 5 [ 0.09 .. 0.71]
2941-> TYR 44 HE* - ALA 85 HB* [ 1.80 3.81] 0.00 0.00 0.00 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 0.06 0.00 0.21 0.00 - 3 [ 0.06 .. 0.23]
2942-> TYR 44 HE* - LYS 48 HG2 [ 1.80 5.46] 1.23 1.33 0.87 1.52 0.68 0.48 0.79 1.27 1.19 1.82 0.00 1.26 0.62 0.00 1.02 1.22 0.94 0.59 0.88 1.28 - 18 [ 0.48 .. 1.82]
2943-> TYR 10 HD* - HIS 45 HD2 [ 1.80 6.33] 1.38 1.25 1.60 1.65 1.11 0.99 1.26 1.17 1.16 1.58 1.27 1.44 1.16 1.73 1.14 1.39 0.76 1.59 1.35 1.39 - 20 [ 0.76 .. 1.73]
2950-> GLU 30 HG2 - TYR 50 HE* [ 1.80 7.48] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.34 0.00 0.87 0.00 - 4 [ 0.34 .. 1.94]
2952-> LEU 26 HG - TYR 50 HE* [ 1.80 4.89] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.15 0.00 - 4 [ 0.15 .. 0.63]
2955-> LYS 48 HG2 - TYR 63 HE* [ 1.80 5.13] 1.41 1.13 1.35 1.41 1.31 1.34 1.00 1.61 1.15 1.28 1.24 1.44 1.08 1.19 1.26 1.47 1.50 1.48 1.21 1.45 - 20 [ 1.00 .. 1.61]
2956-> TYR 50 HE* - ARG 55 HA [ 1.80 7.37] 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 0.10 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.10]
2957-> TYR 10 HD* - GLN 14 HG2 [ 1.80 6.87] 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.02 0.00 0.00 0.29 0.00 0.00 0.00 0.17 0.00 0.41 0.00 0.00 0.00 - 5 [ 0.02 .. 0.42]
2970-> HIS 16 HE1 - ARG 24 HG3 [ 1.80 5.76] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 - 1 [ 0.26 .. 0.26]
2972-> LEU 12 HD1* - HIS 16 HE1 [ 1.80 5.04] 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 1.15 1.49 0.00 0.00 1.20 0.00 1.29 0.00 0.00 1.82 - 6 [ 1.15 .. 1.82]
2988-> ASP 2 HB* - PRO 3 HD2 [ 1.80 3.98] 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 0.25 0.00 0.00 0.00 0.06 - 3 [ 0.06 .. 0.25]
3005-> PRO 6 HB* - LEU 32 HD2* [ 1.80 3.99] 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.12 0.00 - 4 [ 0.04 .. 0.18]
3007-> PRO 6 HB* - TYR 39 HE* [ 1.80 5.61] 0.00 0.00 0.00 0.00 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 - 1 [ 0.23 .. 0.23]
3009-> TYR 10 HD* - GLN 14 HE2* [ 1.80 6.11] 0.91 1.10 1.10 1.24 0.00 0.34 0.00 0.00 1.15 0.92 0.26 0.98 0.00 1.03 0.14 1.23 0.00 1.16 1.22 0.00 - 14 [ 0.14 .. 1.24]
3010-> TYR 10 HE* - GLN 14 HE2* [ 1.80 5.51] 0.57 0.83 0.80 1.00 0.00 0.00 0.00 0.00 0.82 0.55 0.00 0.72 0.00 0.62 0.00 1.06 0.00 0.82 0.91 0.00 - 11 [ 0.55 .. 1.06]
3013-> GLN 14 HE2* - PHE 29 HZ [ 1.80 5.93] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.79 0.01 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 0.79]
3015-> GLN 14 HE2* - HIS 45 HE1 [ 1.80 5.68] 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 0.00 0.46 0.00 0.00 0.00 0.00 - 1 [ 0.46 .. 0.46]
3021-> LEU 17 HB2 - LYS 18 HG* [ 1.80 4.46] 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.47 0.00 0.00 0.71 0.00 0.00 0.00 0.75 0.77 0.51 0.00 0.00 0.49 - 7 [ 0.30 .. 0.77]
3022-> LEU 17 HD1* - ARG 52 HD* [ 1.80 5.43] 2.99 3.01 2.42 3.20 2.05 0.64 2.63 1.36 2.99 2.02 0.00 2.60 1.99 3.50 0.00 1.45 0.00 2.64 2.15 1.53 - 17 [ 0.64 .. 3.50]
3056-> PHE 29 HE* - ARG 52 HD* [ 1.80 7.21] 2.99 3.18 2.32 3.08 2.07 2.46 2.68 3.20 2.91 2.13 2.49 2.37 2.11 3.23 2.68 3.44 0.00 2.48 2.15 3.51 - 19 [ 2.07 .. 3.51]
3061-> GLU 31 HG* - THR 35 HG2* [ 1.80 4.09] 0.00 0.48 2.85 0.00 2.68 0.00 0.41 2.99 0.48 0.34 2.71 2.61 0.00 2.76 0.70 2.56 0.54 0.00 2.68 2.52 - 15 [ 0.34 .. 2.99]
3071-> VAL 40 HG1* - GLY 41 HA* [ 1.80 4.51] 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.48 0.00 0.00 0.54 0.00 0.00 0.51 0.00 0.00 0.00 0.51 0.00 0.00 - 5 [ 0.48 .. 0.54]
3083-> TYR 44 HB* - LYS 48 HG2 [ 1.80 5.84] 2.04 1.97 2.06 2.16 1.94 1.85 2.13 2.03 2.01 2.14 0.90 2.10 1.94 1.11 2.01 2.01 2.10 1.86 2.08 2.11 - 20 [ 0.90 .. 2.16]
3087-> TYR 44 HE* - LYS 48 HE* [ 1.80 4.32] 1.01 1.02 0.72 1.20 0.65 0.43 0.00 1.02 1.17 1.54 0.75 1.03 0.62 1.19 0.99 0.91 0.91 0.31 0.87 1.11 - 19 [ 0.31 .. 1.54]
3088-> TYR 44 HE* - GLU 81 HG* [ 1.80 4.98] 0.00 0.00 0.00 0.00 0.00 0.02 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 0.00 - 2 [ 0.02 .. 0.18]
3105-> LYS 48 HE* - ALA 85 HA [ 1.80 5.45] 3.68 3.51 3.46 3.01 2.67 3.38 1.08 3.60 2.98 3.39 2.36 3.57 2.94 2.27 3.28 3.60 3.82 3.47 3.55 2.91 - 20 [ 1.08 .. 3.82]
3106-> LYS 48 HE* - ALA 85 HB* [ 1.80 4.20] 3.10 2.73 3.09 2.55 2.44 2.83 0.54 3.09 2.41 2.85 2.22 3.08 2.32 1.92 2.86 3.07 3.14 2.96 2.91 2.43 - 20 [ 0.54 .. 3.14]
3107-> LEU 49 HA - ARG 52 HD* [ 1.80 4.66] 1.00 0.96 0.36 0.95 0.46 0.67 1.13 1.14 1.18 0.21 1.10 0.48 0.45 1.07 1.11 1.23 0.00 0.40 0.54 1.07 - 19 [ 0.21 .. 1.23]
3108-> LEU 49 HD1* - ARG 52 HD* [ 1.80 3.68] 4.29 4.23 3.58 4.19 1.33 1.55 1.78 4.48 1.81 3.33 1.96 3.76 1.29 4.26 2.23 4.41 0.00 3.64 1.43 4.34 - 19 [ 1.29 .. 4.48]
3112-> ARG 52 HD* - LEU 53 HD2* [ 1.80 5.67] 0.00 0.00 0.00 0.44 0.30 0.00 0.47 0.42 0.35 0.00 0.42 0.02 0.24 0.41 0.26 0.38 0.03 0.35 0.35 0.39 - 16 [ 0.00 .. 0.47]
3120-> ASP 57 HN - GLU 93 HG* [ 1.80 6.80] 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.14 0.00 0.57 0.00 - 5 [ 0.14 .. 1.43]
3124-> ASP 57 HB* - ILE 60 HG12 [ 1.80 6.96] 0.01 0.00 0.24 0.00 0.00 0.05 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 0.08 - 5 [ 0.01 .. 0.24]
3125-> ILE 60 HG12 - GLU 93 HG* [ 1.80 6.97] 0.00 0.00 1.44 0.00 0.13 0.08 2.22 2.20 0.20 0.00 1.29 0.18 0.00 0.32 1.01 2.39 1.93 0.00 2.10 0.00 - 13 [ 0.08 .. 2.39]
3126-> ILE 67 HG2* - ARG 71 HD* [ 1.80 4.42] 0.00 0.22 0.00 0.21 0.00 0.00 0.22 0.22 0.20 0.18 0.00 0.00 0.25 0.00 0.19 0.00 0.11 0.19 0.24 0.00 - 11 [ 0.11 .. 0.25]
3128-> GLU 68 HA - GLU 72 HG* [ 1.80 5.07] 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 0.08 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.08 .. 0.15]
3135-> ARG 71 HB3 - GLN 76 HE2* [ 1.80 7.21] 0.92 1.56 0.42 1.55 1.18 0.51 1.37 1.66 1.98 1.62 0.56 2.26 0.87 0.59 1.34 1.85 1.25 0.94 1.71 1.85 - 20 [ 0.42 .. 2.26]
3150-> GLN 76 HG* - SER 80 HN [ 1.80 5.06] 0.62 0.76 0.70 0.72 0.62 0.69 0.56 0.69 0.80 0.75 0.69 0.67 0.68 0.61 0.83 0.69 0.58 0.73 0.75 0.78 - 20 [ 0.56 .. 0.83]
3151-> GLN 76 HG* - SER 80 HB* [ 1.80 5.45] 0.87 1.03 0.53 0.38 1.01 1.02 0.83 0.41 0.43 1.01 0.44 0.95 0.51 0.98 0.48 0.47 0.99 1.09 0.94 0.56 - 20 [ 0.38 .. 1.09]
3153-> GLN 76 HE2* - LEU 79 HG [ 1.80 7.21] 0.43 0.76 0.28 0.57 0.25 0.49 0.46 0.49 0.95 0.60 0.28 0.51 0.39 0.27 0.68 0.46 0.22 0.45 0.70 0.88 - 20 [ 0.22 .. 0.95]
3154-> GLN 76 HE2* - LEU 79 HD2* [ 1.80 4.38] 0.48 0.86 0.24 0.64 0.25 0.50 0.53 0.55 1.04 0.57 0.26 0.54 0.34 0.30 0.75 0.49 0.25 0.46 0.75 0.92 - 20 [ 0.24 .. 1.04]
3158-> LYS 77 HA - SER 80 HB* [ 1.80 3.53] 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.62 0.00 0.49 0.00 0.00 0.54 0.00 0.00 0.00 0.44 - 6 [ 0.44 .. 0.70]
3162-> LYS 77 HG2 - SER 80 HB* [ 1.80 5.96] 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.37 0.00 0.30 0.00 0.00 0.38 0.00 0.00 0.00 0.23 - 6 [ 0.23 .. 0.42]
3163-> LYS 77 HG2 - GLU 81 HG* [ 1.80 4.86] 2.95 0.00 0.00 0.00 0.00 0.00 0.53 0.02 0.00 0.00 0.00 0.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.02 .. 3.16]
3164-> LYS 77 HG3 - GLU 81 HG* [ 1.80 5.19] 3.36 0.00 0.00 0.00 0.00 0.00 0.70 0.70 0.00 0.00 0.00 0.00 0.00 0.00 3.63 0.50 0.00 0.00 0.00 0.49 - 6 [ 0.49 .. 3.63]
3166-> ASP 78 HA - GLU 81 HG* [ 1.80 4.66] 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 0.00 0.00 - 1 [ 0.31 .. 0.31]
3173-> SER 80 HB* - GLU 81 HN [ 1.80 3.36] 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.20 0.00 0.21 0.00 0.00 0.19 0.00 0.00 0.00 0.24 - 6 [ 0.19 .. 0.24]
3174-> SER 80 HB* - GLU 81 HB2 [ 1.80 5.40] 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.16 .. 0.18]
3175-> SER 80 HB* - GLU 81 HG* [ 1.80 4.62] 1.01 0.00 0.00 0.00 0.00 0.00 0.60 1.73 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.73 0.00 0.00 0.00 1.75 - 6 [ 0.60 .. 1.75]
3176-> SER 80 HB* - GLN 83 HE21 [ 1.80 5.75] 1.25 1.46 0.12 1.82 0.88 1.69 1.18 0.60 1.76 1.49 0.05 1.41 0.33 1.06 1.96 0.59 0.90 1.37 1.52 0.15 - 20 [ 0.05 .. 1.96]
3177-> SER 80 HB* - GLN 83 HE22 [ 1.80 6.83] 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.01 .. 0.15]
3178-> GLU 81 HN - GLU 81 HG* [ 1.80 3.45] 0.55 0.00 0.00 0.00 0.00 0.00 0.52 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.57 0.00 0.00 0.00 0.57 - 6 [ 0.52 .. 0.57]
3188-> LYS 88 HD* - ALA 89 HA [ 1.80 5.29] 0.85 0.80 0.86 0.83 0.82 0.83 0.90 0.84 0.76 0.77 0.79 0.73 0.85 0.81 0.83 0.78 0.86 0.83 0.81 0.78 - 20 [ 0.73 .. 0.90]
3189-> LYS 88 HE* - ALA 89 HN [ 1.80 5.98] 0.23 0.21 0.23 0.23 0.25 0.22 0.24 0.21 0.18 0.18 0.20 0.16 0.23 0.20 0.21 0.23 0.29 0.23 0.22 0.15 - 20 [ 0.15 .. 0.29]
3192-> GLY 91 HA* - LEU 92 HG [ 1.80 5.57] 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 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 [ 0.83 .. 0.83]
3196-> GLU 93 HN - GLU 93 HG* [ 1.80 3.90] 0.00 0.00 0.28 0.00 0.00 0.00 0.10 0.29 0.11 0.00 0.00 0.08 0.14 0.00 0.00 0.29 0.23 0.00 0.08 0.00 - 9 [ 0.08 .. 0.29]
3206-> PRO 6 O - TYR 10 HN [ 1.80 2.30] 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.07 0.64 0.34 0.00 0.00 0.00 - 5 [ 0.07 .. 0.64]
3207-> PRO 6 O - TYR 10 N [ 1.80 3.45] 0.00 0.00 0.00 0.00 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 0.00 0.00 0.00 - 1 [ 0.18 .. 0.18]
3208-> PHE 7 O - ALA 11 HN [ 1.80 2.30] 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.09 0.00 0.16 0.00 0.00 0.00 - 4 [ 0.09 .. 0.21]
3222-> ARG 24 O - LEU 28 HN [ 1.80 2.30] 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 - 3 [ 0.05 .. 0.23]
3226-> ALA 27 O - GLU 31 HN [ 1.80 2.30] 0.02 0.01 0.10 0.00 0.18 0.00 0.09 0.01 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.01 .. 0.18]
3230-> PHE 29 O - VAL 33 HN [ 1.80 2.30] 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 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 [ 0.25 .. 0.25]
3232-> GLU 30 O - GLU 34 HN [ 1.80 2.30] 0.00 0.01 0.01 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.02 0.00 0.04 0.00 0.00 - 6 [ 0.01 .. 0.15]
3240-> TYR 44 O - LYS 48 HN [ 1.80 2.30] 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.06 0.00 0.32 0.00 0.12 0.00 0.00 0.00 0.00 - 6 [ 0.00 .. 0.34]
3244-> LEU 46 O - TYR 50 HN [ 1.80 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.03 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 - 3 [ 0.03 .. 0.30]
3262-> ILE 67 O - ARG 71 HN [ 1.80 2.30] 0.03 0.09 0.00 0.06 0.00 0.00 0.11 0.00 0.10 0.00 0.00 0.00 0.15 0.00 0.05 0.00 0.00 0.09 0.03 0.00 - 11 [ 0.00 .. 0.15]
3280-> GLN 83 O - LEU 87 HN [ 1.80 2.30] 0.00 0.00 0.04 0.00 0.00 0.00 0.58 0.00 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 [ 0.04 .. 0.58]
3281-> GLN 83 O - LEU 87 N [ 1.80 3.45] 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 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 [ 0.25 .. 0.25]
-------------------------------------------
Number of Violations greater than 0.10 275 279 263 272 224 243 232 360 242 273 263 300 213 263 336 317 266 298 273 276
-------------------------------------------
---- 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: 26 27 27 29 26 24 23 30 20 30 30 36 23 24 35 27 34 29 25 26 27.55
0.2 - 0.5 ang: 68 67 78 65 54 61 64 86 66 65 64 64 50 73 82 71 67 61 68 67 67.05
> 0.5 ang: 181 185 158 178 144 158 145 244 156 178 169 200 140 166 219 219 165 208 180 183 178.80
Total : 312 311 293 292 250 273 270 396 265 301 295 334 239 286 374 355 296 335 306 300 304.15
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 : 4.887 4.854 4.201 4.819 3.214 3.381 3.494 5.002 3.284 3.718 3.279 4.972 2.944 4.866 3.633 4.976 3.824 4.198 3.553 4.896 5.002
Max Intra Viol : 1.154 1.151 1.155 1.154 1.426 1.084 1.098 1.098 1.230 1.379 1.042 1.160 1.143 1.155 1.107 1.145 1.148 1.153 1.162 1.132 1.426
Max Seque Viol : 2.312 2.381 3.314 2.329 3.214 2.304 2.321 3.301 3.284 2.366 3.279 3.221 2.323 3.264 3.287 3.262 3.243 2.372 3.264 3.262 3.314
Max Medium Viol : 4.887 4.854 4.201 4.819 3.084 2.388 2.735 5.002 2.784 3.718 3.160 4.972 2.701 4.866 3.633 4.976 2.391 4.198 3.166 4.896 5.002
Max Long Viol : 3.684 3.511 3.457 3.204 2.914 3.381 3.494 4.352 3.038 3.395 3.129 3.567 2.944 3.504 3.512 3.602 3.824 3.469 3.553 3.512 4.352
Average Violation : 0.082 0.083 0.075 0.082 0.060 0.067 0.062 0.116 0.071 0.075 0.073 0.092 0.060 0.076 0.101 0.099 0.072 0.090 0.081 0.085 0.08008
Avge Intra Viol : 0.022 0.021 0.017 0.018 0.020 0.021 0.015 0.025 0.018 0.026 0.021 0.019 0.015 0.020 0.023 0.021 0.019 0.021 0.018 0.021 0.01982
Avge Seque Viol : 0.144 0.159 0.130 0.159 0.087 0.115 0.095 0.204 0.130 0.139 0.117 0.186 0.094 0.127 0.194 0.208 0.120 0.151 0.146 0.176 0.14402
Avge Mediu Viol : 0.044 0.043 0.040 0.042 0.044 0.043 0.035 0.057 0.044 0.044 0.048 0.045 0.040 0.049 0.045 0.048 0.039 0.049 0.043 0.048 0.04444
Avge Long Viol : 0.123 0.116 0.118 0.114 0.088 0.093 0.106 0.184 0.094 0.096 0.107 0.127 0.090 0.108 0.153 0.129 0.114 0.144 0.120 0.102 0.11627
RMS Violation : 0.366 0.364 0.345 0.364 0.285 0.304 0.295 0.457 0.324 0.327 0.325 0.395 0.289 0.354 0.402 0.411 0.322 0.372 0.351 0.381 0.35427
RMS Intra : 0.112 0.109 0.098 0.099 0.120 0.111 0.090 0.119 0.105 0.130 0.112 0.101 0.092 0.110 0.115 0.106 0.102 0.109 0.099 0.111 0.10796
RMS Sequential : 0.525 0.537 0.477 0.560 0.337 0.392 0.371 0.655 0.435 0.474 0.414 0.601 0.363 0.506 0.559 0.644 0.387 0.510 0.477 0.586 0.49907
RMS Medium range : 0.234 0.234 0.242 0.226 0.251 0.232 0.203 0.284 0.255 0.238 0.261 0.253 0.225 0.270 0.256 0.261 0.234 0.247 0.247 0.267 0.24674
RMS Long range : 0.452 0.434 0.430 0.412 0.359 0.389 0.406 0.575 0.393 0.367 0.409 0.451 0.376 0.406 0.518 0.448 0.448 0.480 0.447 0.404 0.43314
Final --global-- Summary for 20 models, 3285 NOEs/model, 65700 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 5261.215
Summ sq. viol : 8245.898
Maximum viol : 5.002
Average viol : 0.08008
RMSD viol : 0.35427
Std. Dev. viol : 0.34510
RMS Intra : 0.10796
RMS Seque : 0.49907
RMS Medi : 0.24674
RMS Long : 0.43314
table of dihedral angle constraints violations
1-> [PHE A 7] PHI -78.0 -58.0 1.1 0.0 6.5 2.5 3.5 2.3 2.0 0.1 0.0 1.9 11.3 0.0 6.3 2.0 7.1 16.6 14.4 5.0 0.0 0.0 - 15 [ 0.0 .. 16.6]
2-> [PHE A 7] PSI -49.0 -29.0 0.0 0.9 0.0 4.2 0.0 4.0 1.8 0.0 0.0 0.0 9.1 0.0 0.0 0.0 4.0 6.4 8.3 0.0 2.1 3.7 - 10 [ 0.0 .. 9.1]
6-> [ARG A 9] PSI -56.0 -28.0 0.0 0.0 0.0 0.0 0.0 11.0 1.1 0.3 0.0 0.0 6.3 1.7 0.0 0.0 13.3 4.2 3.4 0.0 4.7 0.0 - 9 [ 0.0 .. 13.3]
29-> [ARG A 24] PHI -76.0 -56.0 4.0 0.0 4.4 0.0 0.0 3.2 0.0 5.4 0.5 0.0 7.5 4.7 5.4 0.0 7.4 0.0 0.0 0.0 4.0 0.0 - 10 [ 0.0 .. 7.5]
34-> [LEU A 26] PSI -56.0 -28.0 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]
41-> [GLU A 30] PHI -72.0 -52.0 0.0 0.0 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 - 1 [ 0.0 .. 1.2]
56-> [TYR A 43] PSI -52.0 -32.0 0.0 0.2 0.0 0.2 0.0 0.0 0.0 1.4 0.0 1.8 0.0 1.5 0.0 0.0 0.0 0.0 1.2 0.0 0.0 1.7 - 7 [ 0.0 .. 1.8]
59-> [HIS A 45] PHI -74.0 -54.0 7.4 7.0 5.0 11.8 5.3 4.7 3.4 7.6 6.3 13.1 5.9 12.6 5.7 10.3 6.3 10.7 4.9 4.6 6.0 6.0 - 20 [ 3.4 .. 13.1]
60-> [HIS A 45] PSI -50.0 -30.0 3.3 1.1 2.8 2.1 0.3 1.3 0.0 0.0 0.0 1.1 4.0 1.1 0.4 1.8 1.2 0.3 0.0 4.2 1.2 0.0 - 17 [ 0.0 .. 4.2]
62-> [LEU A 46] PSI -49.0 -21.0 0.0 2.9 0.4 0.0 0.0 0.0 0.0 0.0 0.0 4.2 0.0 0.1 0.0 0.0 0.0 2.6 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 4.2]
65-> [LYS A 48] PHI -78.0 -58.0 0.0 0.0 3.0 0.0 0.6 0.0 0.0 1.7 0.5 0.0 0.0 3.3 1.3 0.0 2.6 3.5 0.7 0.0 1.5 0.2 - 11 [ 0.0 .. 3.5]
73-> [ARG A 52] PHI -83.0 -55.0 0.0 0.0 0.0 0.0 0.0 4.7 7.0 6.8 1.8 0.0 0.0 0.0 1.2 0.0 6.9 0.0 0.1 0.0 7.0 7.1 - 9 [ 0.0 .. 7.1]
77-> [THR A 56] PHI -72.0 -48.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.9 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 1.9]
78-> [THR A 56] PSI -51.0 -31.0 0.0 0.0 0.0 6.3 0.0 0.0 0.0 0.7 0.0 0.0 0.0 5.3 8.0 0.0 1.1 2.8 0.0 0.0 0.0 0.0 - 6 [ 0.0 .. 8.0]
101-> [GLU A 68] PHI -74.0 -54.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 3.9 0.0 0.0 2.3 0.0 4.0 - 5 [ 0.0 .. 4.0]
102-> [GLU A 68] PSI -55.0 -19.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.8 0.0 0.0 0.0 - 1 [ 0.0 .. 1.8]
103-> [VAL A 69] PHI -81.0 -53.0 19.0 19.0 20.8 19.0 0.0 15.1 21.5 27.1 21.0 15.8 20.5 0.0 19.9 19.7 25.9 0.0 0.0 19.9 19.8 25.9 - 16 [ 0.0 .. 27.1]
104-> [VAL A 69] PSI -63.0 -23.0 7.1 10.2 7.0 8.8 0.0 10.8 12.8 12.8 9.4 10.9 7.7 0.0 14.5 8.3 11.5 0.0 1.4 13.5 8.5 8.0 - 17 [ 0.0 .. 14.5]
108-> [ARG A 71] PSI -57.0 -25.0 5.1 0.0 5.0 0.0 0.0 5.3 0.0 0.0 0.0 0.0 3.6 0.0 0.0 7.8 0.0 0.0 0.0 0.0 0.0 0.0 - 5 [ 0.0 .. 7.8]
109-> [GLU A 72] PHI -87.0 -47.0 23.1 3.1 13.0 3.0 3.0 12.9 3.0 3.0 2.9 3.1 13.0 3.0 3.0 22.7 3.1 3.3 2.9 3.0 3.0 2.9 - 20 [ 2.9 .. 23.1]
110-> [GLU A 72] PSI -51.0 -15.0 0.0 9.0 7.1 8.9 9.1 5.7 9.0 9.0 9.0 9.0 6.4 8.9 8.9 0.0 8.9 9.0 9.1 9.1 9.0 9.0 - 18 [ 0.0 .. 9.1]
114-> [LYS A 77] PSI -49.0 -29.0 0.0 0.0 5.6 0.0 4.5 0.0 0.0 0.0 0.0 0.0 6.7 0.0 0.0 3.7 0.0 0.0 3.2 2.1 0.0 0.0 - 6 [ 0.0 .. 6.7]
115-> [ASP A 78] PHI -80.0 -56.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.0 1.1 - 3 [ 0.0 .. 1.1]
118-> [LEU A 79] PSI -52.0 -24.0 0.0 0.0 5.1 0.0 7.3 0.3 5.6 0.0 0.0 0.0 7.0 0.0 6.5 4.9 0.0 2.3 5.7 0.0 0.0 6.7 - 10 [ 0.0 .. 7.3]
120-> [SER A 80] PSI -52.0 -32.0 0.0 0.0 2.7 0.0 0.0 0.0 0.0 2.0 0.0 0.0 2.1 0.0 1.3 0.0 0.0 1.8 0.0 0.0 0.0 3.8 - 6 [ 0.0 .. 3.8]
122-> [GLU A 81] PSI -52.0 -32.0 0.0 3.8 0.0 0.0 0.0 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 - 2 [ 0.0 .. 3.8]
123-> [LEU A 82] PHI -73.0 -49.0 1.4 0.0 0.0 0.0 2.3 2.1 0.0 0.8 0.0 0.6 0.6 2.6 1.7 0.0 0.0 1.5 2.3 2.0 2.0 0.0 - 12 [ 0.0 .. 2.6]
124-> [LEU A 82] PSI -53.0 -29.0 0.6 0.0 0.0 0.0 0.0 0.4 0.0 2.6 0.0 0.0 0.0 1.5 0.0 0.0 0.0 0.9 1.1 1.2 1.5 0.0 - 8 [ 0.0 .. 2.6]
127-> [ASP A 84] PHI -72.0 -52.0 0.0 0.0 0.0 0.0 0.0 0.0 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 - 1 [ 0.0 .. 2.0]
132-> [LYS A 86] PSI -55.0 -31.0 0.0 0.0 3.9 0.0 0.0 0.0 4.2 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 - 2 [ 0.0 .. 4.2]
133-> [LEU A 87] PHI -75.0 -55.0 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 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.2]
141-> [TYR A 39] PSI 85.0 160.0 0.0 0.0 0.0 0.0 0.0 5.6 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 - 1 [ 0.0 .. 5.6]
143-> [TYR A 39] CHI2 40.0 90.0 40.0 22.0 16.9 19.3 14.5 49.0 30.5 0.0 28.3 20.8 17.4 26.4 23.2 19.7 24.3 20.3 19.3 20.7 20.4 125.6 - 19 [ 0.0 .. 125.6]
---- 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 : 7 7 12 7 7 12 11 9 7 8 11 10 11 6 11 10 12 9 12 11 9.50
> 10. degrees : 3 3 3 3 1 5 3 2 2 4 4 2 3 4 4 3 2 3 2 2 2.90
Total : 11 12 17 11 10 19 15 17 13 13 17 13 17 10 17 16 16 14 14 14 14.30
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 : 40.0 22.0 20.8 19.3 14.5 49.0 30.5 27.1 28.3 20.8 20.5 26.4 23.2 22.7 25.9 20.3 19.3 20.7 20.4 125.6 125.57
Max PHI Viol : 23.1 19.0 20.8 19.0 5.3 15.1 21.5 27.1 21.0 15.8 20.5 12.6 19.9 22.7 25.9 16.6 14.4 19.9 19.8 25.9 27.11
Max PSI Viol : 7.1 10.2 7.1 8.9 9.1 11.0 12.8 12.8 9.4 10.9 9.1 8.9 14.5 8.3 13.3 9.0 9.1 13.5 9.0 9.0 14.46
Max CHI2 Viol : 40.0 22.0 16.9 19.3 14.5 49.0 30.5 0.0 28.3 20.8 17.4 26.4 23.2 19.7 24.3 20.3 19.3 20.7 20.4 125.6 125.57
Average Violation : 0.8 0.6 0.8 0.6 0.4 1.0 0.7 0.6 0.6 0.6 0.9 0.5 0.8 0.7 0.9 0.6 0.6 0.6 0.6 1.4 0.710
Avge PHI Viol : 0.888 0.661 0.861 0.714 0.455 0.808 0.769 0.862 0.705 0.727 0.913 0.607 0.798 0.877 0.945 0.711 0.597 0.721 0.783 0.815 0.770
Avge PSI Viol : 0.476 0.627 0.751 0.655 0.546 0.822 0.697 0.637 0.535 0.616 0.862 0.532 0.747 0.610 0.753 0.653 0.705 0.659 0.616 0.681 0.666
Avge CHI2 Viol : 6.322 4.687 4.116 4.390 3.811 7.003 5.527 0.000 5.320 4.563 4.169 5.137 4.813 4.434 4.926 4.506 4.388 4.553 4.515 11.206 5.284
RMS Violation : 4.308 2.791 2.893 2.778 1.718 4.750 3.528 2.822 3.203 2.765 3.196 2.670 3.180 3.311 3.633 2.631 2.411 2.873 2.785 10.829 3.898
RMS PHI Viol : 3.695 2.439 3.135 2.692 0.881 2.549 2.778 3.521 2.639 2.485 3.376 1.708 2.687 3.775 3.544 2.417 1.862 2.546 2.681 3.319 2.824
RMS PSI Viol : 1.111 1.717 1.728 1.752 1.482 2.253 2.051 1.909 1.553 1.764 2.218 1.280 2.363 1.546 2.395 1.517 1.737 2.021 1.606 1.763 1.820
RMS CHI2 Viol : 39.963 21.963 16.945 19.268 14.524 49.042 30.549 0.000 28.303 20.825 17.384 26.388 23.162 19.658 24.261 20.302 19.254 20.732 20.388 125.570 37.033
Final --global-- Summary for 20 models, 143 ACOs/model, 2860 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 2030.18
Summ. Sq. Viol. : 43459.59
Max. Viol. : 125.570
Avg. Viol. : 0.70985
RMS Viol. : 3.89816
Std. Dev. Viol. : 3.83298
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
# -----------------------------------------------------------------------------------
GLU A 1 0.454 0.803 0.791 0.960
ASP A 2 0.936 0.977 0.623 0.964 2 2
PRO A 3 0.989 0.994 0.935 0.881 3 3
GLU A 4 0.982 0.986 0.999 0.604 0.908 4 4
ASP A 5 0.989 0.992 0.878 0.663 5 5
PRO A 6 0.999 0.998 1.000 1.000 6 6
PHE A 7 0.994 0.992 0.932 0.995 7 7
THR A 8 0.993 0.998 1.000 8 8
ARG A 9 0.999 0.993 0.471 0.987 0.428 0.909 1.000 9 9
TYR A 10 0.999 0.999 0.997 0.999 10 10
ALA A 11 1.000 1.000 11 11
LEU A 12 0.999 0.998 0.646 0.655 12 12
ALA A 13 1.000 1.000 13 13
GLN A 14 1.000 1.000 0.774 0.516 0.716 14 14
GLU A 15 0.999 0.996 0.872 0.847 0.968 15 15
HIS A 16 0.997 0.998 0.999 0.911 16 16
LEU A 17 0.998 0.997 0.653 0.696 17 17
LYS A 18 0.998 0.998 1.000 1.000 0.998 0.999 18 18
HIS A 19 0.999 0.985 1.000 0.920 19 19
ASP A 20 0.999 0.975 0.999 0.984 20 20
ASN A 21 0.994 0.998 1.000 0.988 21 21
ALA A 22 0.998 0.997 22 22
SER A 23 0.998 0.992 0.446 23 23
ARG A 24 0.996 1.000 1.000 1.000 1.000 0.942 1.000 24 24
ALA A 25 1.000 0.998 25 25
LEU A 26 0.999 0.999 0.936 0.878 26 26
ALA A 27 0.999 0.999 27 27
LEU A 28 0.999 0.998 1.000 1.000 28 28
PHE A 29 0.998 0.996 0.999 0.453 29 29
GLU A 30 0.999 0.997 0.766 0.852 0.969 30 30
GLU A 31 0.998 0.998 0.622 0.776 0.916 31 31
LEU A 32 0.998 0.999 0.978 0.360 32 32
VAL A 33 1.000 1.000 1.000 33 33
GLU A 34 0.999 0.998 1.000 1.000 1.000 34 34
THR A 35 0.982 0.978 0.517 35 35
ASP A 36 0.993 0.996 1.000 0.999 36 36
PRO A 37 0.998 0.997 0.983 0.968 37 37
ASP A 38 0.989 0.972 0.998 0.971 38 38
TYR A 39 0.984 0.991 0.996 0.916 39 39
VAL A 40 0.995 0.994 0.473 40 40
GLY A 41 0.999 0.996 41 41
THR A 42 0.998 0.999 1.000 42 42
TYR A 43 0.999 0.999 0.999 0.201 43 43
TYR A 44 0.999 0.999 0.999 0.997 44 44
HIS A 45 0.999 1.000 0.999 0.997 45 45
LEU A 46 0.999 0.999 1.000 1.000 46 46
GLY A 47 0.999 0.995 47 47
LYS A 48 0.999 0.998 0.999 0.867 0.932 0.999 48 48
LEU A 49 0.998 0.998 0.586 0.556 49 49
TYR A 50 0.999 0.996 0.997 0.568 50 50
GLU A 51 0.998 0.995 0.603 0.949 0.791 51 51
ARG A 52 0.996 0.998 0.999 0.949 0.885 0.997 1.000 52 52
LEU A 53 0.990 0.985 1.000 0.999 53 53
ASP A 54 0.998 0.994 1.000 1.000 54 54
ARG A 55 0.992 0.965 1.000 0.618 0.606 0.997 1.000 55 55
THR A 56 0.995 0.987 0.600 56 56
ASP A 57 0.998 0.999 0.859 0.964 57 57
ASP A 58 0.999 0.999 1.000 1.000 58 58
ALA A 59 1.000 0.999 59 59
ILE A 60 0.999 1.000 1.000 1.000 60 60
ASP A 61 0.999 0.999 0.940 0.965 61 61
THR A 62 1.000 0.999 1.000 62 62
TYR A 63 0.999 0.998 0.999 0.210 63 63
ALA A 64 0.999 0.999 64 64
GLN A 65 1.000 0.999 0.827 0.532 0.874 65 65
GLY A 66 0.999 0.999 66 66
ILE A 67 1.000 1.000 1.000 1.000 67 67
GLU A 68 0.997 0.995 0.667 0.243 0.877 68 68
VAL A 69 0.977 0.987 0.762 69 69
ALA A 70 0.999 0.999 70 70
ARG A 71 0.995 0.985 0.692 0.993 0.847 0.579 1.000 71 71
GLU A 72 0.994 0.996 0.994 0.931 0.989 72 72
GLU A 73 0.988 0.998 0.923 0.920 0.959 73 73
GLY A 74 0.999 0.996 74 74
THR A 75 0.997 0.998 1.000 75 75
GLN A 76 0.999 1.000 1.000 1.000 1.000 76 76
LYS A 77 0.999 0.995 0.875 1.000 0.998 0.658 77 77
ASP A 78 0.996 0.997 0.998 0.971 78 78
LEU A 79 0.998 0.998 0.999 1.000 79 79
SER A 80 0.998 0.994 0.295 80 80
GLU A 81 0.999 0.997 0.700 0.210 0.904 81 81
LEU A 82 0.999 0.999 0.996 0.927 82 82
GLN A 83 0.999 0.997 0.626 0.999 0.995 83 83
ASP A 84 0.999 0.998 1.000 1.000 84 84
ALA A 85 1.000 0.999 85 85
LYS A 86 1.000 0.997 0.867 0.999 0.875 0.683 86 86
LEU A 87 0.998 1.000 1.000 1.000 87 87
LYS A 88 0.999 0.999 1.000 1.000 1.000 1.000 88 88
ALA A 89 1.000 1.000 89 89
GLU A 90 0.998 0.998 1.000 0.999 0.948 90 90
GLY A 91 0.983 0.973 91 91
LEU A 92 0.982 0.978 0.930 0.932 92 92
GLU A 93 0.909 0.574 0.544 0.483 0.902
HIS A 94 0.573 0.430 0.260 0.371
HIS A 95 0.595 0.696 0.478 0.287
HIS A 96 0.862 0.545 0.306 0.253
HIS A 97 0.519 0.398 0.462 0.408
HIS A 98 0.588 0.402 0.280 0.441
HIS A 99 0.765 0.615 0.556
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 `SRR115C_R3_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 1 is: 0.489
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 2 is: 0.556
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 3 is: 0.400
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 4 is: 0.671
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 5 is: 0.552
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 6 is: 0.512
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 7 is: 0.470
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 8 is: 0.808
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 9 is: 0.321 (*)
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 10 is: 0.494
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 11 is: 0.954
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 12 is: 0.343
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 13 is: 0.373
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 14 is: 0.604
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 15 is: 0.809
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 16 is: 0.542
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 17 is: 0.649
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 18 is: 0.498
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 19 is: 0.445
> Kabsch RMSD of backbone atoms in res. A[2..92],for model 20 is: 0.597
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[2..92], is: 0.554
> Range of RMSD values to reference struct. is 0.321 to 0.954
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 1 is: 0.798
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 2 is: 0.861
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 3 is: 0.707
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 4 is: 0.893
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 5 is: 0.837
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 6 is: 0.900
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 7 is: 0.740
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 8 is: 1.014
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 9 is: 0.538 (*)
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 10 is: 0.757
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 11 is: 1.197
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 12 is: 0.629
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 13 is: 0.639
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 14 is: 0.901
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 15 is: 1.103
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 16 is: 0.828
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 17 is: 1.033
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 18 is: 0.745
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 19 is: 0.693
> Kabsch RMSD of heavy atoms in res. A[2..92],for model 20 is: 1.010
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[2..92], is: 0.841
> Range of RMSD values to reference struct. is 0.538 to 1.197
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..99],for model 1 is: 1.662
> Kabsch RMSD of backb atoms in res. *[1..99],for model 2 is: 1.793
> Kabsch RMSD of backb atoms in res. *[1..99],for model 3 is: 2.725
> Kabsch RMSD of backb atoms in res. *[1..99],for model 4 is: 2.058
> Kabsch RMSD of backb atoms in res. *[1..99],for model 5 is: 2.645
> Kabsch RMSD of backb atoms in res. *[1..99],for model 6 is: 1.940
> Kabsch RMSD of backb atoms in res. *[1..99],for model 7 is: 2.111
> Kabsch RMSD of backb atoms in res. *[1..99],for model 8 is: 1.600
> Kabsch RMSD of backb atoms in res. *[1..99],for model 9 is: 1.233
> Kabsch RMSD of backb atoms in res. *[1..99],for model 10 is: 1.658
> Kabsch RMSD of backb atoms in res. *[1..99],for model 11 is: 1.571
> Kabsch RMSD of backb atoms in res. *[1..99],for model 12 is: 2.072
> Kabsch RMSD of backb atoms in res. *[1..99],for model 13 is: 1.786
> Kabsch RMSD of backb atoms in res. *[1..99],for model 14 is: 2.310
> Kabsch RMSD of backb atoms in res. *[1..99],for model 15 is: 1.498
> Kabsch RMSD of backb atoms in res. *[1..99],for model 16 is: 2.291
> Kabsch RMSD of backb atoms in res. *[1..99],for model 17 is: 1.333
> Kabsch RMSD of backb atoms in res. *[1..99],for model 18 is: 0.944 (*)
> Kabsch RMSD of backb atoms in res. *[1..99],for model 19 is: 1.505
> Kabsch RMSD of backb atoms in res. *[1..99],for model 20 is: 1.556
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..99], is: 1.814
> Range of RMSD values to reference struct. is 0.944 to 2.725
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 1 is: 2.193
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 2 is: 2.365
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 3 is: 3.199
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 4 is: 2.539
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 5 is: 3.100
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 6 is: 2.654
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 7 is: 2.496
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 8 is: 1.989
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 9 is: 1.737
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 10 is: 2.151
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 11 is: 2.143
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 12 is: 2.621
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 13 is: 2.336
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 14 is: 2.799
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 15 is: 1.980
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 16 is: 2.796
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 17 is: 2.002
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 18 is: 1.534 (*)
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 19 is: 1.945
> Kabsch RMSD of heavy atoms in res. *[1..99],for model 20 is: 2.206
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..99], is: 2.339
> Range of RMSD values to reference struct. is 1.534 to 3.199
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 0.6 0.6
All heavy atoms 2.3 0.8 0.8
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 >>>----------+
| |
| SRR115C_R3_em_bcr3_020.rin 0.0 1820 residues |
| |
+| Ramachandran plot: 92.6% core 7.3% allow 0.1% gener 0.0% disall |
| |
+| All Ramachandrans: 2 labelled residues (out of1820) |
+| Chi1-chi2 plots: 5 labelled residues (out of1240) |
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
2 -0.44
3 -0.15
4 -0.36
5 -0.39
6 0.32
7 -0.15
8 0.73
9 0.58
10 0.98
11 0.96
12 0.97
13 0.96
14 1.21
15 0.89
16 1.23
17 0.91
18 0.67
19 -0.58
20 -1.14
21 -1.05
22 0.70
23 0.99
24 0.51
25 0.90
26 0.50
27 0.67
28 1.03
29 1.10
30 0.92
31 0.96
32 1.00
33 1.03
34 0.83
35 0.27
36 -1.41
37 -0.98
38 -0.10
39 -1.90
40 -0.07
41 1.01
42 1.06
43 0.88
44 0.96
45 -0.03
46 0.96
47 0.98
48 1.03
49 0.96
50 0.92
51 0.87
52 -0.25
53 -0.77
54 -0.51
55 -1.89
56 0.52
57 1.11
58 0.98
59 0.79
60 0.98
61 1.29
62 1.14
63 1.07
64 0.92
65 1.05
66 1.10
67 0.92
68 0.71
69 -1.00
70 0.67
71 0.63
72 -1.60
73 -1.19
74 -0.44
75 -0.55
76 0.91
77 0.88
78 1.12
79 0.60
80 1.04
81 0.81
82 0.55
83 0.91
84 1.26
85 0.93
86 1.13
87 0.90
88 0.92
89 0.94
90 0.67
91 0.00
92 0.18
#Reported_Model_Average 0.463
#Overall_Average_Reported 0.463
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
2 0.08
3 -0.15
4 0.20
5 -0.29
6 0.32
7 0.18
8 0.75
9 0.60
10 0.85
11 0.96
12 0.80
13 0.96
14 0.83
15 0.75
16 0.65
17 0.75
18 0.98
19 -0.21
20 -0.28
21 0.09
22 0.70
23 0.71
24 0.84
25 0.90
26 0.46
27 0.67
28 0.95
29 0.11
30 0.99
31 0.91
32 0.60
33 0.88
34 1.02
35 0.43
36 -0.54
37 -0.98
38 0.27
39 -2.37
40 -0.39
41 1.01
42 0.72
43 0.75
44 0.77
45 0.22
46 0.72
47 0.98
48 0.87
49 0.77
50 -0.01
51 0.90
52 0.00
53 0.06
54 -0.01
55 -0.70
56 0.50
57 1.04
58 1.06
59 0.79
60 0.93
61 1.17
62 0.72
63 0.26
64 0.92
65 0.79
66 1.10
67 0.90
68 0.50
69 -0.65
70 0.67
71 0.57
72 -0.74
73 -0.40
74 -0.44
75 -0.27
76 1.08
77 0.86
78 0.97
79 0.57
80 0.86
81 0.62
82 0.66
83 0.85
84 1.20
85 0.93
86 0.91
87 0.91
88 1.10
89 0.94
90 0.93
91 0.00
92 0.53
#Reported_Model_Average 0.499
#Overall_Average_Reported 0.499
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
2 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.51
3 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
4 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.28
5 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.51 0.34 0.51 0.51 0.34 0.51 0.51 0.51 0.51
6 -0.41 -0.41 -0.41 -0.25 -0.41 -0.41 -0.41 -0.41 -0.41 -0.25 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41
7 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.81
8 -0.13 -0.13 0.39 -0.13 0.39 0.39 -0.13 -0.13 0.39 -0.13 0.39 0.39 0.39 -0.13 -0.13 -0.13 0.39 -0.13 -0.13 0.39
9 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 -0.11 1.10 1.10 1.10 -0.11
10 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50
11 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
12 -0.46 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 0.16
13 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
14 -0.32 -0.32 -0.32 0.62 -0.32 0.16 -0.32 -0.32 -0.32 -0.32 -0.32 0.62 -0.32 -0.32 -0.32 -0.32 -0.32 -0.32 -0.32 0.16
15 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
16 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61
17 0.71 0.71 0.71 0.71 -0.30 0.71 -0.30 1.30 0.71 0.71 1.30 0.71 0.71 0.71 1.30 -0.30 1.30 0.71 0.71 0.71
18 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
19 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20
20 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23
21 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
22 0.76 0.76 0.44 0.44 0.44 0.76 0.44 0.76 0.44 0.44 0.76 0.44 0.44 0.44 0.76 0.44 0.44 0.44 0.44 0.44
23 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
24 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56
25 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
26 0.71 0.71 0.71 0.71 0.71 -0.30 0.71 0.71 0.71 0.71 -0.30 0.71 0.71 0.71 -0.30 0.71 -0.30 0.71 -0.30 0.71
27 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
28 0.16 0.16 0.16 0.71 0.71 0.16 0.71 0.71 0.71 0.16 0.16 0.16 0.16 0.71 0.16 0.71 -0.30 0.16 0.71 -0.30
29 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
30 -0.43 0.62 0.62 0.62 -0.43 0.62 0.62 0.62 -0.43 -0.43 0.62 0.62 -0.43 0.62 0.62 0.62 0.62 0.62 0.62 0.62
31 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
32 0.71 1.30 1.30 1.30 1.30 1.30 0.71 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30
33 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30
34 0.62 0.60 0.60 0.62 0.60 0.60 0.60 0.62 0.60 0.62 0.60 0.60 0.60 0.60 0.62 0.60 0.62 0.60 0.62 0.62
35 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13
36 0.34 0.51 0.51 0.34 0.34 0.51 0.34 0.51 0.51 0.34 0.51 0.34 0.51 0.34 0.51 0.34 0.51 0.34 0.34 0.34
37 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
38 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.34 0.34 0.51 0.51 0.34 0.51 0.51
39 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.25 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.25
40 0.74 0.74 0.41 0.41 0.41 0.41 0.74 0.41 0.74 0.74 0.41 0.41 0.74 0.41 0.41 0.41 0.74 0.41 0.74 0.41
41 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
42 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39
43 0.27 0.86 0.27 0.27 0.27 0.27 0.86 0.27 0.86 0.27 0.27 0.27 0.86 0.27 0.86 0.27 0.27 0.27 0.27 0.86
44 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50
45 0.82 0.82 0.61 0.61 0.82 0.82 0.82 0.82 0.61 0.82 0.82 0.82 0.82 0.61 0.82 0.61 -0.34 0.61 0.61 0.82
46 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
47 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
48 0.66 0.66 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
49 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30
50 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.27 0.86 0.86 0.86 0.86 0.86
51 0.09 0.09 -0.58 -0.43 0.09 -0.43 0.09 0.09 0.09 0.09 -0.43 -0.58 -0.58 0.62 -0.58 0.09 0.62 -0.43 0.09 -0.58
52 -0.20 -0.20 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 0.56 0.56 -0.20 -0.20 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 -0.20
53 -0.33 -0.33 -0.33 -0.68 -0.33 -0.33 0.77 -0.33 -0.33 -0.68 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 0.77 -0.33 -0.33 -0.33
54 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
55 0.24 0.24 0.24 0.71 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24
56 0.39 0.39 -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 0.39 -0.13 -0.13 -0.13 0.39
57 0.44 0.44 0.29 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.29 -0.28 0.44 0.29 0.44 0.44 0.44 0.44
58 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
59 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
60 -0.02 -0.02 -0.02 -0.02 0.55 -0.02 -0.02 -0.02 -0.02 0.55 0.55 -0.02 0.55 0.55 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02
61 0.44 0.44 0.29 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.29 0.44 0.29 0.44 0.44 0.44 0.44
62 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39
63 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86
64 0.76 0.76 0.76 0.76 0.76 0.76 -0.02 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
65 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
66 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
67 -0.02 -0.02 -0.02 -0.02 0.55 0.55 -0.02 -0.02 -0.02 0.55 0.55 -0.02 0.55 0.55 0.55 -0.02 -0.02 0.55 -0.02 0.55
68 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.60 0.60 0.62 0.62 0.60 0.60 0.62 0.62 0.60 0.62 0.62 0.62 0.62
69 -0.29 -0.29 -0.29 0.30 0.30 -0.29 -0.29 -0.62 -0.29 -0.29 -0.29 -0.29 -0.29 0.30 0.30 -0.29 -0.29 -0.29 -0.29 0.30
70 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
71 0.24 0.24 0.24 -0.41 0.24 0.24 -0.41 0.24 -0.41 -0.41 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 0.24 0.24 0.24
72 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
73 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
74 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
75 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
76 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
77 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 0.07 0.07 0.07 0.07 0.07 0.07
78 -0.28 -0.28 0.29 -0.28 0.29 -0.28 -0.28 -0.28 -0.28 -0.28 0.29 -0.28 0.29 0.29 -0.28 -0.28 0.29 0.29 -0.28 -0.28
79 -0.46 -0.30 -0.30 -0.30 0.16 -0.30 0.16 -0.30 -0.30 -0.30 0.16 -0.46 0.16 0.16 -0.30 -0.46 0.16 -0.30 -0.30 0.16
80 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
81 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
82 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
83 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.32 0.62 0.62 0.62 0.62 0.62 0.62 -0.32
84 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.44 0.29 0.44 0.29 0.29 0.29 0.44 0.29 0.29 0.29
85 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
86 0.56 0.56 -0.50 0.56 -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 0.56 0.56 0.56
87 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -1.37 -1.37 -0.46 -0.46 -1.37 -0.46 -0.46 -1.37
88 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 0.07 0.07 0.07
89 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
90 0.62 0.09 0.62 0.62 0.09 -0.58 -0.43 0.09 0.62 -0.58 0.09 0.09 0.09 0.09 0.62 0.62 -0.43 0.62 0.09 0.09
91 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
92 0.29 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.33 -0.68 -0.68
#Reported_Model_Average 0.401 0.415 0.389 0.409 0.402 0.415 0.394 0.403 0.409 0.396 0.431 0.415 0.395 0.411 0.410 0.371 0.409 0.414 0.390 0.397
#Overall_Average_Reported 0.404
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
2 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.51 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.51
3 0.25 0.25 0.25 0.25 0.25 0.44 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
4 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.04 0.28 0.04 0.04 0.04 0.04 0.04 0.04 0.28
5 0.34 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.51 0.34 0.51 0.51 0.34 0.51 0.51 0.51 0.51
6 -0.41 -0.41 -0.41 -0.25 -0.41 -0.41 -0.41 -0.41 -0.41 -0.25 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41 -0.41
7 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.35 -1.81
8 -0.13 -0.13 0.39 -0.13 0.39 0.39 -0.13 -0.13 0.39 -0.13 0.39 0.39 0.39 -0.13 -0.13 -0.13 0.39 -0.13 -0.13 0.39
9 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 -0.11 1.10 1.10 1.10 -0.11
10 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50
11 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
12 -0.46 -0.46 -0.46 -0.46 -0.46 -0.30 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 0.16
13 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
14 -0.32 -0.32 -0.32 0.62 -0.32 0.16 -0.32 -0.32 -0.32 -0.32 -0.32 0.62 -0.32 -0.32 -0.32 -0.32 -0.32 -0.32 -0.32 0.16
15 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
16 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61 0.61
17 0.71 0.71 0.71 0.71 -0.30 0.71 -0.30 1.30 0.71 0.71 1.30 0.71 0.71 0.71 1.30 -0.30 1.30 0.71 0.71 0.71
18 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
19 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20 0.20
20 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.51 0.23 0.23 0.23
21 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
22 0.76 0.76 0.44 0.44 0.44 0.76 0.44 0.76 0.44 0.44 0.76 0.44 0.44 0.44 0.76 0.44 0.44 0.44 0.44 0.44
23 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
24 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56 0.56
25 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
26 0.71 0.71 0.71 0.71 0.71 -0.30 0.71 0.71 0.71 0.71 -0.30 0.71 0.71 0.71 -0.30 0.71 -0.30 0.71 -0.30 0.71
27 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
28 0.16 0.16 0.16 0.71 0.71 0.16 0.71 0.71 0.71 0.16 0.16 0.16 0.16 0.71 0.16 0.71 -0.30 0.16 0.71 -0.30
29 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28 1.28
30 -0.43 0.62 0.62 0.62 -0.43 0.62 0.62 0.62 -0.43 -0.43 0.62 0.62 -0.43 0.62 0.62 0.62 0.62 0.62 0.62 0.62
31 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
32 0.71 1.30 1.30 1.30 1.30 1.30 0.71 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30
33 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30 0.30
34 0.62 0.60 0.60 0.62 0.60 0.60 0.60 0.62 0.60 0.62 0.60 0.60 0.60 0.60 0.62 0.60 0.62 0.60 0.62 0.62
35 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13 -0.13
36 0.34 0.51 0.51 0.34 0.34 0.51 0.34 0.51 0.51 0.34 0.51 0.34 0.51 0.34 0.51 0.34 0.51 0.34 0.34 0.34
37 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44
38 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.51 0.34 0.51 0.51 0.34 0.34 0.51 0.51 0.34 0.51 0.51
39 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.25 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.14 1.25
40 0.74 0.74 0.41 0.41 0.41 0.41 0.74 0.41 0.74 0.74 0.41 0.41 0.74 0.41 0.41 0.41 0.74 0.41 0.74 0.41
41 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
42 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39
43 0.27 0.86 0.27 0.27 0.27 0.27 0.86 0.27 0.86 0.27 0.27 0.27 0.86 0.27 0.86 0.27 0.27 0.27 0.27 0.86
44 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50 0.50
45 0.82 0.82 0.61 0.61 0.82 0.82 0.82 0.82 0.61 0.82 0.82 0.82 0.82 0.61 0.82 0.61 -0.34 0.61 0.61 0.82
46 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
47 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
48 0.66 0.66 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
49 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 1.30 0.71 1.30 1.30 1.30 1.30 1.30 1.30
50 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.27 0.86 0.86 0.86 0.86 0.86
51 0.09 0.09 -0.58 -0.43 0.09 -0.43 0.09 0.09 0.09 0.09 -0.43 -0.58 -0.58 0.62 -0.58 0.09 0.62 -0.43 0.09 -0.58
52 -0.20 -0.20 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 -0.20 0.56 0.56 -0.20 -0.20 -0.20 -0.20 -0.20 0.56 -0.20 -0.20 -0.20
53 -0.33 -0.33 -0.33 -0.68 -0.33 -0.33 0.77 -0.33 -0.33 -0.68 -0.33 -0.33 -0.33 -0.33 -0.33 -0.33 0.77 -0.33 -0.33 -0.33
54 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23 0.23
55 0.24 0.24 0.24 0.71 0.24 0.71 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.71 0.24 0.24
56 0.39 0.39 -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 0.39 -0.13 -0.13 -0.13 0.39
57 0.44 0.44 0.29 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.29 -0.28 0.44 0.29 0.44 0.44 0.44 0.44
58 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
59 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
60 -0.02 -0.02 -0.02 -0.02 0.55 -0.02 -0.02 -0.02 -0.02 0.55 0.55 -0.02 0.55 0.55 -0.02 -0.02 -0.02 -0.02 -0.02 -0.02
61 0.44 0.44 0.29 0.44 0.29 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.29 0.44 0.29 0.44 0.44 0.44 0.44
62 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39 0.39
63 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86 0.86
64 0.76 0.76 0.76 0.76 0.76 0.76 -0.02 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
65 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
66 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63 0.63
67 -0.02 -0.02 -0.02 -0.02 0.55 0.55 -0.02 -0.02 -0.02 0.55 0.55 -0.02 0.55 0.55 0.55 -0.02 -0.02 0.55 -0.02 0.55
68 0.62 0.62 0.62 0.60 0.62 0.62 0.62 0.60 0.60 0.62 0.62 0.60 0.60 0.62 0.62 0.60 0.62 0.62 0.62 0.62
69 -0.29 -0.29 -0.29 0.30 0.30 -0.29 -0.29 -0.62 -0.29 -0.29 -0.29 -0.29 -0.29 0.30 0.30 -0.29 -0.29 -0.29 -0.29 0.30
70 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
71 0.24 0.24 0.24 -0.41 0.24 0.24 -0.41 0.24 -0.41 -0.41 0.24 0.24 -0.41 0.24 0.24 0.24 0.24 0.24 0.24 0.24
72 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
73 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
74 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
75 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
76 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29
77 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 0.07 0.07 0.07 0.07 0.07 0.07
78 -0.28 -0.28 0.29 -0.28 0.29 -0.28 -0.28 -0.28 -0.28 -0.28 0.29 -0.28 0.29 0.29 -0.28 -0.28 0.29 0.29 -0.28 -0.28
79 -0.46 -0.30 -0.30 -0.30 0.16 -0.30 0.16 -0.30 -0.30 -0.30 0.16 -0.46 0.16 0.16 -0.30 -0.46 0.16 -0.30 -0.30 0.16
80 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
81 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
82 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
83 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 0.62 -0.32 0.62 0.62 0.62 0.62 0.62 0.62 -0.32
84 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.29 0.44 0.29 0.44 0.29 0.29 0.29 0.44 0.29 0.29 0.29
85 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
86 0.56 0.56 -0.50 0.56 -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 0.56 0.56 0.56
87 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -0.46 -1.37 -1.37 -0.46 -0.46 -1.37 -0.46 -0.46 -1.37
88 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 0.07 0.07 0.07
89 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
90 0.62 0.09 0.62 0.62 0.09 -0.58 -0.43 0.09 0.62 -0.58 0.09 0.09 0.09 0.09 0.62 0.62 -0.43 0.62 0.09 0.09
91 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
92 0.29 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.33 -0.68 -0.68
#Reported_Model_Average 0.401 0.415 0.389 0.409 0.402 0.415 0.394 0.403 0.409 0.396 0.431 0.415 0.395 0.411 0.410 0.371 0.409 0.414 0.390 0.397
#Overall_Average_Reported 0.404
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
2.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
3.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
4.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
5.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
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 0 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 0 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 6 0 2 0 0 0 0 0 0 0 0 0 0 0 0
18.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
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 1 0 0 0 0 0 0 0 0 0 1
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 0 0 0 0 0 0 0 0 0 0 0 0 0 0
24.000 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1
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 2 0 0 0 0 0
27.000 0 0 0 0 0 0 0 0 0 0 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
30.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
31.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
32.000 2 0 0 0 0 0 2 2 0 0 0 2 0 0 0 0 0 2 2 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 0 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 1 0 0 0 0 0 0 0 0 0 1 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 0 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
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 0 0 0
45.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
46.000 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
47.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
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 0 0 0 0 0 0
51.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 0 0 0 0 0 0 0 0
54.000 0 0 0 0 0 0 0 0 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
57.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
58.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
59.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
60.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
61.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
62.000 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 0 0 0 0 0 0 0
64.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
65.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
66.000 0 0 0 0 0 0 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 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0
69.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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
71.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
72.000 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 1 0 0 0 0 0 0 0 0 0 1 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 0
77.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
78.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
79.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
80.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
83.000 0 0 0 0 0 0 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 0 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 0 0 0 0 0 0 0 0 0 0 0 0
89.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
90.000 0 0 0 0 1 0 0 0 0 0 0 0 0 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
92.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
#Reported_Model_Average 0.022 0.000 0.022 0.000 0.011 0.088 0.022 0.044 0.022 0.022 0.022 0.022 0.000 0.000 0.044 0.000 0.000 0.044 0.044 0.022
#Overall_Average_Reported 0.023
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 32 LEU 2HD1 :A 32 LEU HA : -0.441: 0
#sum2 ::0.65 clashscore : 0.65 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177318 potential dots:11080.0 A^2:1 bumps:1 bumps B<40:708.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
#sum2 ::0.00 clashscore : 0.00 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177466 potential dots:11090.0 A^2:0 bumps:0 bumps B<40:663.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 68 GLU HA :A 68 GLU OE1 : -0.471: 0
#sum2 ::0.65 clashscore : 0.65 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177556 potential dots:11100.0 A^2:1 bumps:1 bumps B<40:744.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
#sum2 ::0.00 clashscore : 0.00 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177387 potential dots:11090.0 A^2:0 bumps:0 bumps B<40:691.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 90 GLU 1HG :A 96 HIS 1HB : -0.443: 0
#sum2 ::0.65 clashscore : 0.65 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177523 potential dots:11100.0 A^2:1 bumps:1 bumps B<40:702.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 17 LEU C :A 17 LEU 3HD2 : -0.582: 0
: 1549:A 17 LEU O :A 17 LEU 3HD2 : -0.496: 0
: 1549:A 17 LEU C :A 17 LEU CD2 : -0.412: 0
: 1549:A 29 PHE 2HB :A 46 LEU 3HD1 : -0.407: 0
#sum2 ::2.58 clashscore : 2.58 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177443 potential dots:11090.0 A^2:4 bumps:4 bumps B<40:699.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 32 LEU HA :A 32 LEU 2HD1 : -0.407: 0
#sum2 ::0.65 clashscore : 0.65 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177481 potential dots:11090.0 A^2:1 bumps:1 bumps B<40:708.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 17 LEU C :A 17 LEU 3HD2 : -0.486: 0
: 1549:A 32 LEU HA :A 32 LEU 2HD1 : -0.422: 0
#sum2 ::1.29 clashscore : 1.29 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177398 potential dots:11090.0 A^2:2 bumps:2 bumps B<40:680 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 38 ASP 2HB :A 73 GLU 2HG : -0.407: 0
#sum2 ::0.65 clashscore : 0.65 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177359 potential dots:11080.0 A^2:1 bumps:1 bumps B<40:676.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 24 ARG 1HB :A 21 ASN 2HB : -0.498: 0
: 1549:A 98 HIS 1HB :A 95 HIS 2HB : -0.460: 0
#sum2 ::1.29 clashscore : 1.29 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177642 potential dots:11100.0 A^2:2 bumps:2 bumps B<40:706.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 68 GLU HA :A 68 GLU OE1 : -0.421: 0
#sum2 ::0.65 clashscore : 0.65 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177405 potential dots:11090.0 A^2:1 bumps:1 bumps B<40:708.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 32 LEU HA :A 32 LEU 2HD1 : -0.422: 0
#sum2 ::0.65 clashscore : 0.65 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177528 potential dots:11100.0 A^2:1 bumps:1 bumps B<40:710.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
#sum2 ::0.00 clashscore : 0.00 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177571 potential dots:11100.0 A^2:0 bumps:0 bumps B<40:728 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
#sum2 ::0.00 clashscore : 0.00 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177513 potential dots:11090.0 A^2:0 bumps:0 bumps B<40:690.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 51 GLU 1HG :A 92 LEU 1HD1 : -0.475: 0
: 1549:A 26 LEU 3HD2 :A 26 LEU C : -0.473: 0
#sum2 ::1.29 clashscore : 1.29 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177342 potential dots:11080.0 A^2:2 bumps:2 bumps B<40:675.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 99 HIS O :A 99 HIS ND1 : -0.540: 0
: 1549:A 99 HIS O :A 99 HIS CG : -0.427: 0
#sum2 ::1.29 clashscore : 1.29 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177405 potential dots:11090.0 A^2:2 bumps:2 bumps B<40:675.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
#sum2 ::0.00 clashscore : 0.00 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177538 potential dots:11100.0 A^2:0 bumps:0 bumps B<40:693.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 32 LEU 2HD1 :A 32 LEU HA : -0.469: 0
: 1549:A 65 GLN 1HG :A 61 ASP O : -0.405: 0
#sum2 ::1.29 clashscore : 1.29 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177258 potential dots:11080.0 A^2:2 bumps:2 bumps B<40:702.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 32 LEU HA :A 32 LEU 2HD1 : -0.455: 0
: 1549:A 38 ASP 2HB :A 73 GLU 2HG : -0.414: 0
#sum2 ::1.29 clashscore : 1.29 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177524 potential dots:11100.0 A^2:2 bumps:2 bumps B<40:664 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1549:A 24 ARG 1HB :A 21 ASN 2HB : -0.442: 0
#sum2 ::0.65 clashscore : 0.65 clashscore B<40
#summary::1549 atoms:1549 atoms B<40:177488 potential dots:11090.0 A^2:1 bumps:1 bumps B<40:695.8 score
Output from PDB validation software
Summary from PDB validation
May. 10, 23:23:36 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 0.016 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 0.9 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
--------------------------------------------------------------------------------
6.3 HIS A 97 4 N - CA - C 117.5 111.2
6.7 HIS A 97 4 C - N - CA 128.4 121.7
-5.7 HIS A 99 16 N - CA - C 105.5 111.2
5.6 HIS A 94 17 C - N - CA 127.3 121.7
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 14 1HE2
1 A GLN 14 2HE2
1 A ASN 21 1HD2
1 A ASN 21 2HD2
1 A GLN 65 1HE2
1 A GLN 65 2HE2
1 A GLN 76 1HE2
1 A GLN 76 2HE2
1 A GLN 83 1HE2
1 A GLN 83 2HE2
2 A GLN 14 1HE2
2 A GLN 14 2HE2
2 A ASN 21 1HD2
2 A ASN 21 2HD2
2 A GLN 65 1HE2
2 A GLN 65 2HE2
2 A GLN 76 1HE2
2 A GLN 76 2HE2
2 A GLN 83 1HE2
2 A GLN 83 2HE2
3 A GLN 14 1HE2
3 A GLN 14 2HE2
3 A ASN 21 1HD2
3 A ASN 21 2HD2
3 A GLN 65 1HE2
3 A GLN 65 2HE2
3 A GLN 76 1HE2
3 A GLN 76 2HE2
3 A GLN 83 1HE2
3 A GLN 83 2HE2
4 A GLN 14 1HE2
4 A GLN 14 2HE2
4 A ASN 21 1HD2
4 A ASN 21 2HD2
4 A GLN 65 1HE2
4 A GLN 65 2HE2
4 A GLN 76 1HE2
4 A GLN 76 2HE2
4 A GLN 83 1HE2
4 A GLN 83 2HE2
5 A GLN 14 1HE2
5 A GLN 14 2HE2
5 A ASN 21 1HD2
5 A ASN 21 2HD2
5 A GLN 65 1HE2
5 A GLN 65 2HE2
5 A GLN 76 1HE2
5 A GLN 76 2HE2
5 A GLN 83 1HE2
5 A GLN 83 2HE2
6 A GLN 14 1HE2
6 A GLN 14 2HE2
6 A ASN 21 1HD2
6 A ASN 21 2HD2
6 A GLN 65 1HE2
6 A GLN 65 2HE2
6 A GLN 76 1HE2
6 A GLN 76 2HE2
6 A GLN 83 1HE2
6 A GLN 83 2HE2
7 A GLN 14 1HE2
7 A GLN 14 2HE2
7 A ASN 21 1HD2
7 A ASN 21 2HD2
7 A GLN 65 1HE2
7 A GLN 65 2HE2
7 A GLN 76 1HE2
7 A GLN 76 2HE2
7 A GLN 83 1HE2
7 A GLN 83 2HE2
8 A GLN 14 1HE2
8 A GLN 14 2HE2
8 A ASN 21 1HD2
8 A ASN 21 2HD2
8 A GLN 65 1HE2
8 A GLN 65 2HE2
8 A GLN 76 1HE2
8 A GLN 76 2HE2
8 A GLN 83 1HE2
8 A GLN 83 2HE2
9 A GLN 14 1HE2
9 A GLN 14 2HE2
9 A ASN 21 1HD2
9 A ASN 21 2HD2
9 A GLN 65 1HE2
9 A GLN 65 2HE2
9 A GLN 76 1HE2
9 A GLN 76 2HE2
9 A GLN 83 1HE2
9 A GLN 83 2HE2
10 A GLN 14 1HE2
10 A GLN 14 2HE2
10 A ASN 21 1HD2
10 A ASN 21 2HD2
10 A GLN 65 1HE2
10 A GLN 65 2HE2
10 A GLN 76 1HE2
10 A GLN 76 2HE2
10 A GLN 83 1HE2
10 A GLN 83 2HE2
11 A GLN 14 1HE2
11 A GLN 14 2HE2
11 A ASN 21 1HD2
11 A ASN 21 2HD2
11 A GLN 65 1HE2
11 A GLN 65 2HE2
11 A GLN 76 1HE2
11 A GLN 76 2HE2
11 A GLN 83 1HE2
11 A GLN 83 2HE2
12 A GLN 14 1HE2
12 A GLN 14 2HE2
12 A ASN 21 1HD2
12 A ASN 21 2HD2
12 A GLN 65 1HE2
12 A GLN 65 2HE2
12 A GLN 76 1HE2
12 A GLN 76 2HE2
12 A GLN 83 1HE2
12 A GLN 83 2HE2
13 A GLN 14 1HE2
13 A GLN 14 2HE2
13 A ASN 21 1HD2
13 A ASN 21 2HD2
13 A GLN 65 1HE2
13 A GLN 65 2HE2
13 A GLN 76 1HE2
13 A GLN 76 2HE2
13 A GLN 83 1HE2
13 A GLN 83 2HE2
14 A GLN 14 1HE2
14 A GLN 14 2HE2
14 A ASN 21 1HD2
14 A ASN 21 2HD2
14 A GLN 65 1HE2
14 A GLN 65 2HE2
14 A GLN 76 1HE2
14 A GLN 76 2HE2
14 A GLN 83 1HE2
14 A GLN 83 2HE2
15 A GLN 14 1HE2
15 A GLN 14 2HE2
15 A ASN 21 1HD2
15 A ASN 21 2HD2
15 A GLN 65 1HE2
15 A GLN 65 2HE2
15 A GLN 76 1HE2
15 A GLN 76 2HE2
15 A GLN 83 1HE2
15 A GLN 83 2HE2
16 A GLN 14 1HE2
16 A GLN 14 2HE2
16 A ASN 21 1HD2
16 A ASN 21 2HD2
16 A GLN 65 1HE2
16 A GLN 65 2HE2
16 A GLN 76 1HE2
16 A GLN 76 2HE2
16 A GLN 83 1HE2
16 A GLN 83 2HE2
17 A GLN 14 1HE2
17 A GLN 14 2HE2
17 A ASN 21 1HD2
17 A ASN 21 2HD2
17 A GLN 65 1HE2
17 A GLN 65 2HE2
17 A GLN 76 1HE2
17 A GLN 76 2HE2
17 A GLN 83 1HE2
17 A GLN 83 2HE2
18 A GLN 14 1HE2
18 A GLN 14 2HE2
18 A ASN 21 1HD2
18 A ASN 21 2HD2
18 A GLN 65 1HE2
18 A GLN 65 2HE2
18 A GLN 76 1HE2
18 A GLN 76 2HE2
18 A GLN 83 1HE2
18 A GLN 83 2HE2
19 A GLN 14 1HE2
19 A GLN 14 2HE2
19 A ASN 21 1HD2
19 A ASN 21 2HD2
19 A GLN 65 1HE2
19 A GLN 65 2HE2
19 A GLN 76 1HE2
19 A GLN 76 2HE2
19 A GLN 83 1HE2
19 A GLN 83 2HE2
20 A GLN 14 1HE2
20 A GLN 14 2HE2
20 A ASN 21 1HD2
20 A ASN 21 2HD2
20 A GLN 65 1HE2
20 A GLN 65 2HE2
20 A GLN 76 1HE2
20 A GLN 76 2HE2
20 A GLN 83 1HE2
20 A GLN 83 2HE2
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
GLU( 1 A -98 )
ASP( 1 A -97 )
PRO( 1 A -96 )
GLU( 1 A -95 )
ASP( 1 A -94 )
PRO( 1 A -93 )
PHE( 1 A -92 )
THR( 1 A -91 )
ARG( 1 A -90 )
TYR( 1 A -89 )
ALA( 1 A -88 )
LEU( 1 A -87 )
ALA( 1 A -86 )
GLN( 1 A -85 )
GLU( 1 A -84 )
HIS( 1 A -83 )
LEU( 1 A -82 )
LYS( 1 A -81 )
HIS( 1 A -80 )
ASP( 1 A -79 )
ASN( 1 A -78 )
ALA( 1 A -77 )
SER( 1 A -76 )
ARG( 1 A -75 )
ALA( 1 A -74 )
LEU( 1 A -73 )
ALA( 1 A -72 )
LEU( 1 A -71 )
PHE( 1 A -70 )
GLU( 1 A -69 )
GLU( 1 A -68 )
LEU( 1 A -67 )
VAL( 1 A -66 )
GLU( 1 A -65 )
THR( 1 A -64 )
ASP( 1 A -63 )
PRO( 1 A -62 )
ASP( 1 A -61 )
TYR( 1 A -60 )
VAL( 1 A -59 )
GLY( 1 A -58 )
THR( 1 A -57 )
TYR( 1 A -56 )
TYR( 1 A -55 )
HIS( 1 A -54 )
LEU( 1 A -53 )
GLY( 1 A -52 )
LYS( 1 A -51 )
LEU( 1 A -50 )
TYR( 1 A -49 )
GLU( 1 A -48 )
ARG( 1 A -47 )
LEU( 1 A -46 )
ASP( 1 A -45 )
ARG( 1 A -44 )
THR( 1 A -43 )
ASP( 1 A -42 )
ASP( 1 A -41 )
ALA( 1 A -40 )
ILE( 1 A -39 )
ASP( 1 A -38 )
THR( 1 A -37 )
TYR( 1 A -36 )
ALA( 1 A -35 )
GLN( 1 A -34 )
GLY( 1 A -33 )
ILE( 1 A -32 )
GLU( 1 A -31 )
VAL( 1 A -30 )
ALA( 1 A -29 )
ARG( 1 A -28 )
GLU( 1 A -27 )
GLU( 1 A -26 )
GLY( 1 A -25 )
THR( 1 A -24 )
GLN( 1 A -23 )
LYS( 1 A -22 )
ASP( 1 A -21 )
LEU( 1 A -20 )
SER( 1 A -19 )
GLU( 1 A -18 )
LEU( 1 A -17 )
GLN( 1 A -16 )
ASP( 1 A -15 )
ALA( 1 A -14 )
LYS( 1 A -13 )
LEU( 1 A -12 )
LYS( 1 A -11 )
ALA( 1 A -10 )
GLU( 1 A -9 )
GLY( 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 )
GLU( 2 A -98 )
ASP( 2 A -97 )
PRO( 2 A -96 )
GLU( 2 A -95 )
ASP( 2 A -94 )
PRO( 2 A -93 )
PHE( 2 A -92 )
THR( 2 A -91 )
ARG( 2 A -90 )
TYR( 2 A -89 )
ALA( 2 A -88 )
LEU( 2 A -87 )
ALA( 2 A -86 )
GLN( 2 A -85 )
GLU( 2 A -84 )
HIS( 2 A -83 )
LEU( 2 A -82 )
LYS( 2 A -81 )
HIS( 2 A -80 )
ASP( 2 A -79 )
ASN( 2 A -78 )
ALA( 2 A -77 )
SER( 2 A -76 )
ARG( 2 A -75 )
ALA( 2 A -74 )
LEU( 2 A -73 )
ALA( 2 A -72 )
LEU( 2 A -71 )
PHE( 2 A -70 )
GLU( 2 A -69 )
GLU( 2 A -68 )
LEU( 2 A -67 )
VAL( 2 A -66 )
GLU( 2 A -65 )
THR( 2 A -64 )
ASP( 2 A -63 )
PRO( 2 A -62 )
ASP( 2 A -61 )
TYR( 2 A -60 )
VAL( 2 A -59 )
GLY( 2 A -58 )
THR( 2 A -57 )
TYR( 2 A -56 )
TYR( 2 A -55 )
HIS( 2 A -54 )
LEU( 2 A -53 )
GLY( 2 A -52 )
LYS( 2 A -51 )
LEU( 2 A -50 )
TYR( 2 A -49 )
GLU( 2 A -48 )
ARG( 2 A -47 )
LEU( 2 A -46 )
ASP( 2 A -45 )
ARG( 2 A -44 )
THR( 2 A -43 )
ASP( 2 A -42 )
ASP( 2 A -41 )
ALA( 2 A -40 )
ILE( 2 A -39 )
ASP( 2 A -38 )
THR( 2 A -37 )
TYR( 2 A -36 )
ALA( 2 A -35 )
GLN( 2 A -34 )
GLY( 2 A -33 )
ILE( 2 A -32 )
GLU( 2 A -31 )
VAL( 2 A -30 )
ALA( 2 A -29 )
ARG( 2 A -28 )
GLU( 2 A -27 )
GLU( 2 A -26 )
GLY( 2 A -25 )
THR( 2 A -24 )
GLN( 2 A -23 )
LYS( 2 A -22 )
ASP( 2 A -21 )
LEU( 2 A -20 )
SER( 2 A -19 )
GLU( 2 A -18 )
LEU( 2 A -17 )
GLN( 2 A -16 )
ASP( 2 A -15 )
ALA( 2 A -14 )
LYS( 2 A -13 )
LEU( 2 A -12 )
LYS( 2 A -11 )
ALA( 2 A -10 )
GLU( 2 A -9 )
GLY( 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 )
GLU( 3 A -98 )
ASP( 3 A -97 )
PRO( 3 A -96 )
GLU( 3 A -95 )
ASP( 3 A -94 )
PRO( 3 A -93 )
PHE( 3 A -92 )
THR( 3 A -91 )
ARG( 3 A -90 )
TYR( 3 A -89 )
ALA( 3 A -88 )
LEU( 3 A -87 )
ALA( 3 A -86 )
GLN( 3 A -85 )
GLU( 3 A -84 )
HIS( 3 A -83 )
LEU( 3 A -82 )
LYS( 3 A -81 )
HIS( 3 A -80 )
ASP( 3 A -79 )
ASN( 3 A -78 )
ALA( 3 A -77 )
SER( 3 A -76 )
ARG( 3 A -75 )
ALA( 3 A -74 )
LEU( 3 A -73 )
ALA( 3 A -72 )
LEU( 3 A -71 )
PHE( 3 A -70 )
GLU( 3 A -69 )
GLU( 3 A -68 )
LEU( 3 A -67 )
VAL( 3 A -66 )
GLU( 3 A -65 )
THR( 3 A -64 )
ASP( 3 A -63 )
PRO( 3 A -62 )
ASP( 3 A -61 )
TYR( 3 A -60 )
VAL( 3 A -59 )
GLY( 3 A -58 )
THR( 3 A -57 )
TYR( 3 A -56 )
TYR( 3 A -55 )
HIS( 3 A -54 )
LEU( 3 A -53 )
GLY( 3 A -52 )
LYS( 3 A -51 )
LEU( 3 A -50 )
TYR( 3 A -49 )
GLU( 3 A -48 )
ARG( 3 A -47 )
LEU( 3 A -46 )
ASP( 3 A -45 )
ARG( 3 A -44 )
THR( 3 A -43 )
ASP( 3 A -42 )
ASP( 3 A -41 )
ALA( 3 A -40 )
ILE( 3 A -39 )
ASP( 3 A -38 )
THR( 3 A -37 )
TYR( 3 A -36 )
ALA( 3 A -35 )
GLN( 3 A -34 )
GLY( 3 A -33 )
ILE( 3 A -32 )
GLU( 3 A -31 )
VAL( 3 A -30 )
ALA( 3 A -29 )
ARG( 3 A -28 )
GLU( 3 A -27 )
GLU( 3 A -26 )
GLY( 3 A -25 )
THR( 3 A -24 )
GLN( 3 A -23 )
LYS( 3 A -22 )
ASP( 3 A -21 )
LEU( 3 A -20 )
SER( 3 A -19 )
GLU( 3 A -18 )
LEU( 3 A -17 )
GLN( 3 A -16 )
ASP( 3 A -15 )
ALA( 3 A -14 )
LYS( 3 A -13 )
LEU( 3 A -12 )
LYS( 3 A -11 )
ALA( 3 A -10 )
GLU( 3 A -9 )
GLY( 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 )
GLU( 4 A -98 )
ASP( 4 A -97 )
PRO( 4 A -96 )
GLU( 4 A -95 )
ASP( 4 A -94 )
PRO( 4 A -93 )
PHE( 4 A -92 )
THR( 4 A -91 )
ARG( 4 A -90 )
TYR( 4 A -89 )
ALA( 4 A -88 )
LEU( 4 A -87 )
ALA( 4 A -86 )
GLN( 4 A -85 )
GLU( 4 A -84 )
HIS( 4 A -83 )
LEU( 4 A -82 )
LYS( 4 A -81 )
HIS( 4 A -80 )
ASP( 4 A -79 )
ASN( 4 A -78 )
ALA( 4 A -77 )
SER( 4 A -76 )
ARG( 4 A -75 )
ALA( 4 A -74 )
LEU( 4 A -73 )
ALA( 4 A -72 )
LEU( 4 A -71 )
PHE( 4 A -70 )
GLU( 4 A -69 )
GLU( 4 A -68 )
LEU( 4 A -67 )
VAL( 4 A -66 )
GLU( 4 A -65 )
THR( 4 A -64 )
ASP( 4 A -63 )
PRO( 4 A -62 )
ASP( 4 A -61 )
TYR( 4 A -60 )
VAL( 4 A -59 )
GLY( 4 A -58 )
THR( 4 A -57 )
TYR( 4 A -56 )
TYR( 4 A -55 )
HIS( 4 A -54 )
LEU( 4 A -53 )
GLY( 4 A -52 )
LYS( 4 A -51 )
LEU( 4 A -50 )
TYR( 4 A -49 )
GLU( 4 A -48 )
ARG( 4 A -47 )
LEU( 4 A -46 )
ASP( 4 A -45 )
ARG( 4 A -44 )
THR( 4 A -43 )
ASP( 4 A -42 )
ASP( 4 A -41 )
ALA( 4 A -40 )
ILE( 4 A -39 )
ASP( 4 A -38 )
THR( 4 A -37 )
TYR( 4 A -36 )
ALA( 4 A -35 )
GLN( 4 A -34 )
GLY( 4 A -33 )
ILE( 4 A -32 )
GLU( 4 A -31 )
VAL( 4 A -30 )
ALA( 4 A -29 )
ARG( 4 A -28 )
GLU( 4 A -27 )
GLU( 4 A -26 )
GLY( 4 A -25 )
THR( 4 A -24 )
GLN( 4 A -23 )
LYS( 4 A -22 )
ASP( 4 A -21 )
LEU( 4 A -20 )
SER( 4 A -19 )
GLU( 4 A -18 )
LEU( 4 A -17 )
GLN( 4 A -16 )
ASP( 4 A -15 )
ALA( 4 A -14 )
LYS( 4 A -13 )
LEU( 4 A -12 )
LYS( 4 A -11 )
ALA( 4 A -10 )
GLU( 4 A -9 )
GLY( 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 )
GLU( 5 A -98 )
ASP( 5 A -97 )
PRO( 5 A -96 )
GLU( 5 A -95 )
ASP( 5 A -94 )
PRO( 5 A -93 )
PHE( 5 A -92 )
THR( 5 A -91 )
ARG( 5 A -90 )
TYR( 5 A -89 )
ALA( 5 A -88 )
LEU( 5 A -87 )
ALA( 5 A -86 )
GLN( 5 A -85 )
GLU( 5 A -84 )
HIS( 5 A -83 )
LEU( 5 A -82 )
LYS( 5 A -81 )
HIS( 5 A -80 )
ASP( 5 A -79 )
ASN( 5 A -78 )
ALA( 5 A -77 )
SER( 5 A -76 )
ARG( 5 A -75 )
ALA( 5 A -74 )
LEU( 5 A -73 )
ALA( 5 A -72 )
LEU( 5 A -71 )
PHE( 5 A -70 )
GLU( 5 A -69 )
GLU( 5 A -68 )
LEU( 5 A -67 )
VAL( 5 A -66 )
GLU( 5 A -65 )
THR( 5 A -64 )
ASP( 5 A -63 )
PRO( 5 A -62 )
ASP( 5 A -61 )
TYR( 5 A -60 )
VAL( 5 A -59 )
GLY( 5 A -58 )
THR( 5 A -57 )
TYR( 5 A -56 )
TYR( 5 A -55 )
HIS( 5 A -54 )
LEU( 5 A -53 )
GLY( 5 A -52 )
LYS( 5 A -51 )
LEU( 5 A -50 )
TYR( 5 A -49 )
GLU( 5 A -48 )
ARG( 5 A -47 )
LEU( 5 A -46 )
ASP( 5 A -45 )
ARG( 5 A -44 )
THR( 5 A -43 )
ASP( 5 A -42 )
ASP( 5 A -41 )
ALA( 5 A -40 )
ILE( 5 A -39 )
ASP( 5 A -38 )
THR( 5 A -37 )
TYR( 5 A -36 )
ALA( 5 A -35 )
GLN( 5 A -34 )
GLY( 5 A -33 )
ILE( 5 A -32 )
GLU( 5 A -31 )
VAL( 5 A -30 )
ALA( 5 A -29 )
ARG( 5 A -28 )
GLU( 5 A -27 )
GLU( 5 A -26 )
GLY( 5 A -25 )
THR( 5 A -24 )
GLN( 5 A -23 )
LYS( 5 A -22 )
ASP( 5 A -21 )
LEU( 5 A -20 )
SER( 5 A -19 )
GLU( 5 A -18 )
LEU( 5 A -17 )
GLN( 5 A -16 )
ASP( 5 A -15 )
ALA( 5 A -14 )
LYS( 5 A -13 )
LEU( 5 A -12 )
LYS( 5 A -11 )
ALA( 5 A -10 )
GLU( 5 A -9 )
GLY( 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 )
GLU( 6 A -98 )
ASP( 6 A -97 )
PRO( 6 A -96 )
GLU( 6 A -95 )
ASP( 6 A -94 )
PRO( 6 A -93 )
PHE( 6 A -92 )
THR( 6 A -91 )
ARG( 6 A -90 )
TYR( 6 A -89 )
ALA( 6 A -88 )
LEU( 6 A -87 )
ALA( 6 A -86 )
GLN( 6 A -85 )
GLU( 6 A -84 )
HIS( 6 A -83 )
LEU( 6 A -82 )
LYS( 6 A -81 )
HIS( 6 A -80 )
ASP( 6 A -79 )
ASN( 6 A -78 )
ALA( 6 A -77 )
SER( 6 A -76 )
ARG( 6 A -75 )
ALA( 6 A -74 )
LEU( 6 A -73 )
ALA( 6 A -72 )
LEU( 6 A -71 )
PHE( 6 A -70 )
GLU( 6 A -69 )
GLU( 6 A -68 )
LEU( 6 A -67 )
VAL( 6 A -66 )
GLU( 6 A -65 )
THR( 6 A -64 )
ASP( 6 A -63 )
PRO( 6 A -62 )
ASP( 6 A -61 )
TYR( 6 A -60 )
VAL( 6 A -59 )
GLY( 6 A -58 )
THR( 6 A -57 )
TYR( 6 A -56 )
TYR( 6 A -55 )
HIS( 6 A -54 )
LEU( 6 A -53 )
GLY( 6 A -52 )
LYS( 6 A -51 )
LEU( 6 A -50 )
TYR( 6 A -49 )
GLU( 6 A -48 )
ARG( 6 A -47 )
LEU( 6 A -46 )
ASP( 6 A -45 )
ARG( 6 A -44 )
THR( 6 A -43 )
ASP( 6 A -42 )
ASP( 6 A -41 )
ALA( 6 A -40 )
ILE( 6 A -39 )
ASP( 6 A -38 )
THR( 6 A -37 )
TYR( 6 A -36 )
ALA( 6 A -35 )
GLN( 6 A -34 )
GLY( 6 A -33 )
ILE( 6 A -32 )
GLU( 6 A -31 )
VAL( 6 A -30 )
ALA( 6 A -29 )
ARG( 6 A -28 )
GLU( 6 A -27 )
GLU( 6 A -26 )
GLY( 6 A -25 )
THR( 6 A -24 )
GLN( 6 A -23 )
LYS( 6 A -22 )
ASP( 6 A -21 )
LEU( 6 A -20 )
SER( 6 A -19 )
GLU( 6 A -18 )
LEU( 6 A -17 )
GLN( 6 A -16 )
ASP( 6 A -15 )
ALA( 6 A -14 )
LYS( 6 A -13 )
LEU( 6 A -12 )
LYS( 6 A -11 )
ALA( 6 A -10 )
GLU( 6 A -9 )
GLY( 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 )
GLU( 7 A -98 )
ASP( 7 A -97 )
PRO( 7 A -96 )
GLU( 7 A -95 )
ASP( 7 A -94 )
PRO( 7 A -93 )
PHE( 7 A -92 )
THR( 7 A -91 )
ARG( 7 A -90 )
TYR( 7 A -89 )
ALA( 7 A -88 )
LEU( 7 A -87 )
ALA( 7 A -86 )
GLN( 7 A -85 )
GLU( 7 A -84 )
HIS( 7 A -83 )
LEU( 7 A -82 )
LYS( 7 A -81 )
HIS( 7 A -80 )
ASP( 7 A -79 )
ASN( 7 A -78 )
ALA( 7 A -77 )
SER( 7 A -76 )
ARG( 7 A -75 )
ALA( 7 A -74 )
LEU( 7 A -73 )
ALA( 7 A -72 )
LEU( 7 A -71 )
PHE( 7 A -70 )
GLU( 7 A -69 )
GLU( 7 A -68 )
LEU( 7 A -67 )
VAL( 7 A -66 )
GLU( 7 A -65 )
THR( 7 A -64 )
ASP( 7 A -63 )
PRO( 7 A -62 )
ASP( 7 A -61 )
TYR( 7 A -60 )
VAL( 7 A -59 )
GLY( 7 A -58 )
THR( 7 A -57 )
TYR( 7 A -56 )
TYR( 7 A -55 )
HIS( 7 A -54 )
LEU( 7 A -53 )
GLY( 7 A -52 )
LYS( 7 A -51 )
LEU( 7 A -50 )
TYR( 7 A -49 )
GLU( 7 A -48 )
ARG( 7 A -47 )
LEU( 7 A -46 )
ASP( 7 A -45 )
ARG( 7 A -44 )
THR( 7 A -43 )
ASP( 7 A -42 )
ASP( 7 A -41 )
ALA( 7 A -40 )
ILE( 7 A -39 )
ASP( 7 A -38 )
THR( 7 A -37 )
TYR( 7 A -36 )
ALA( 7 A -35 )
GLN( 7 A -34 )
GLY( 7 A -33 )
ILE( 7 A -32 )
GLU( 7 A -31 )
VAL( 7 A -30 )
ALA( 7 A -29 )
ARG( 7 A -28 )
GLU( 7 A -27 )
GLU( 7 A -26 )
GLY( 7 A -25 )
THR( 7 A -24 )
GLN( 7 A -23 )
LYS( 7 A -22 )
ASP( 7 A -21 )
LEU( 7 A -20 )
SER( 7 A -19 )
GLU( 7 A -18 )
LEU( 7 A -17 )
GLN( 7 A -16 )
ASP( 7 A -15 )
ALA( 7 A -14 )
LYS( 7 A -13 )
LEU( 7 A -12 )
LYS( 7 A -11 )
ALA( 7 A -10 )
GLU( 7 A -9 )
GLY( 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 )
GLU( 8 A -98 )
ASP( 8 A -97 )
PRO( 8 A -96 )
GLU( 8 A -95 )
ASP( 8 A -94 )
PRO( 8 A -93 )
PHE( 8 A -92 )
THR( 8 A -91 )
ARG( 8 A -90 )
TYR( 8 A -89 )
ALA( 8 A -88 )
LEU( 8 A -87 )
ALA( 8 A -86 )
GLN( 8 A -85 )
GLU( 8 A -84 )
HIS( 8 A -83 )
LEU( 8 A -82 )
LYS( 8 A -81 )
HIS( 8 A -80 )
ASP( 8 A -79 )
ASN( 8 A -78 )
ALA( 8 A -77 )
SER( 8 A -76 )
ARG( 8 A -75 )
ALA( 8 A -74 )
LEU( 8 A -73 )
ALA( 8 A -72 )
LEU( 8 A -71 )
PHE( 8 A -70 )
GLU( 8 A -69 )
GLU( 8 A -68 )
LEU( 8 A -67 )
VAL( 8 A -66 )
GLU( 8 A -65 )
THR( 8 A -64 )
ASP( 8 A -63 )
PRO( 8 A -62 )
ASP( 8 A -61 )
TYR( 8 A -60 )
VAL( 8 A -59 )
GLY( 8 A -58 )
THR( 8 A -57 )
TYR( 8 A -56 )
TYR( 8 A -55 )
HIS( 8 A -54 )
LEU( 8 A -53 )
GLY( 8 A -52 )
LYS( 8 A -51 )
LEU( 8 A -50 )
TYR( 8 A -49 )
GLU( 8 A -48 )
ARG( 8 A -47 )
LEU( 8 A -46 )
ASP( 8 A -45 )
ARG( 8 A -44 )
THR( 8 A -43 )
ASP( 8 A -42 )
ASP( 8 A -41 )
ALA( 8 A -40 )
ILE( 8 A -39 )
ASP( 8 A -38 )
THR( 8 A -37 )
TYR( 8 A -36 )
ALA( 8 A -35 )
GLN( 8 A -34 )
GLY( 8 A -33 )
ILE( 8 A -32 )
GLU( 8 A -31 )
VAL( 8 A -30 )
ALA( 8 A -29 )
ARG( 8 A -28 )
GLU( 8 A -27 )
GLU( 8 A -26 )
GLY( 8 A -25 )
THR( 8 A -24 )
GLN( 8 A -23 )
LYS( 8 A -22 )
ASP( 8 A -21 )
LEU( 8 A -20 )
SER( 8 A -19 )
GLU( 8 A -18 )
LEU( 8 A -17 )
GLN( 8 A -16 )
ASP( 8 A -15 )
ALA( 8 A -14 )
LYS( 8 A -13 )
LEU( 8 A -12 )
LYS( 8 A -11 )
ALA( 8 A -10 )
GLU( 8 A -9 )
GLY( 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 )
GLU( 9 A -98 )
ASP( 9 A -97 )
PRO( 9 A -96 )
GLU( 9 A -95 )
ASP( 9 A -94 )
PRO( 9 A -93 )
PHE( 9 A -92 )
THR( 9 A -91 )
ARG( 9 A -90 )
TYR( 9 A -89 )
ALA( 9 A -88 )
LEU( 9 A -87 )
ALA( 9 A -86 )
GLN( 9 A -85 )
GLU( 9 A -84 )
HIS( 9 A -83 )
LEU( 9 A -82 )
LYS( 9 A -81 )
HIS( 9 A -80 )
ASP( 9 A -79 )
ASN( 9 A -78 )
ALA( 9 A -77 )
SER( 9 A -76 )
ARG( 9 A -75 )
ALA( 9 A -74 )
LEU( 9 A -73 )
ALA( 9 A -72 )
LEU( 9 A -71 )
PHE( 9 A -70 )
GLU( 9 A -69 )
GLU( 9 A -68 )
LEU( 9 A -67 )
VAL( 9 A -66 )
GLU( 9 A -65 )
THR( 9 A -64 )
ASP( 9 A -63 )
PRO( 9 A -62 )
ASP( 9 A -61 )
TYR( 9 A -60 )
VAL( 9 A -59 )
GLY( 9 A -58 )
THR( 9 A -57 )
TYR( 9 A -56 )
TYR( 9 A -55 )
HIS( 9 A -54 )
LEU( 9 A -53 )
GLY( 9 A -52 )
LYS( 9 A -51 )
LEU( 9 A -50 )
TYR( 9 A -49 )
GLU( 9 A -48 )
ARG( 9 A -47 )
LEU( 9 A -46 )
ASP( 9 A -45 )
ARG( 9 A -44 )
THR( 9 A -43 )
ASP( 9 A -42 )
ASP( 9 A -41 )
ALA( 9 A -40 )
ILE( 9 A -39 )
ASP( 9 A -38 )
THR( 9 A -37 )
TYR( 9 A -36 )
ALA( 9 A -35 )
GLN( 9 A -34 )
GLY( 9 A -33 )
ILE( 9 A -32 )
GLU( 9 A -31 )
VAL( 9 A -30 )
ALA( 9 A -29 )
ARG( 9 A -28 )
GLU( 9 A -27 )
GLU( 9 A -26 )
GLY( 9 A -25 )
THR( 9 A -24 )
GLN( 9 A -23 )
LYS( 9 A -22 )
ASP( 9 A -21 )
LEU( 9 A -20 )
SER( 9 A -19 )
GLU( 9 A -18 )
LEU( 9 A -17 )
GLN( 9 A -16 )
ASP( 9 A -15 )
ALA( 9 A -14 )
LYS( 9 A -13 )
LEU( 9 A -12 )
LYS( 9 A -11 )
ALA( 9 A -10 )
GLU( 9 A -9 )
GLY( 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 )
GLU( 10 A -98 )
ASP( 10 A -97 )
PRO( 10 A -96 )
GLU( 10 A -95 )
ASP( 10 A -94 )
PRO( 10 A -93 )
PHE( 10 A -92 )
THR( 10 A -91 )
ARG( 10 A -90 )
TYR( 10 A -89 )
ALA( 10 A -88 )
LEU( 10 A -87 )
ALA( 10 A -86 )
GLN( 10 A -85 )
GLU( 10 A -84 )
HIS( 10 A -83 )
LEU( 10 A -82 )
LYS( 10 A -81 )
HIS( 10 A -80 )
ASP( 10 A -79 )
ASN( 10 A -78 )
ALA( 10 A -77 )
SER( 10 A -76 )
ARG( 10 A -75 )
ALA( 10 A -74 )
LEU( 10 A -73 )
ALA( 10 A -72 )
LEU( 10 A -71 )
PHE( 10 A -70 )
GLU( 10 A -69 )
GLU( 10 A -68 )
LEU( 10 A -67 )
VAL( 10 A -66 )
GLU( 10 A -65 )
THR( 10 A -64 )
ASP( 10 A -63 )
PRO( 10 A -62 )
ASP( 10 A -61 )
TYR( 10 A -60 )
VAL( 10 A -59 )
GLY( 10 A -58 )
THR( 10 A -57 )
TYR( 10 A -56 )
TYR( 10 A -55 )
HIS( 10 A -54 )
LEU( 10 A -53 )
GLY( 10 A -52 )
LYS( 10 A -51 )
LEU( 10 A -50 )
TYR( 10 A -49 )
GLU( 10 A -48 )
ARG( 10 A -47 )
LEU( 10 A -46 )
ASP( 10 A -45 )
ARG( 10 A -44 )
THR( 10 A -43 )
ASP( 10 A -42 )
ASP( 10 A -41 )
ALA( 10 A -40 )
ILE( 10 A -39 )
ASP( 10 A -38 )
THR( 10 A -37 )
TYR( 10 A -36 )
ALA( 10 A -35 )
GLN( 10 A -34 )
GLY( 10 A -33 )
ILE( 10 A -32 )
GLU( 10 A -31 )
VAL( 10 A -30 )
ALA( 10 A -29 )
ARG( 10 A -28 )
GLU( 10 A -27 )
GLU( 10 A -26 )
GLY( 10 A -25 )
THR( 10 A -24 )
GLN( 10 A -23 )
LYS( 10 A -22 )
ASP( 10 A -21 )
LEU( 10 A -20 )
SER( 10 A -19 )
GLU( 10 A -18 )
LEU( 10 A -17 )
GLN( 10 A -16 )
ASP( 10 A -15 )
ALA( 10 A -14 )
LYS( 10 A -13 )
LEU( 10 A -12 )
LYS( 10 A -11 )
ALA( 10 A -10 )
GLU( 10 A -9 )
GLY( 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 )
GLU( 11 A -98 )
ASP( 11 A -97 )
PRO( 11 A -96 )
GLU( 11 A -95 )
ASP( 11 A -94 )
PRO( 11 A -93 )
PHE( 11 A -92 )
THR( 11 A -91 )
ARG( 11 A -90 )
TYR( 11 A -89 )
ALA( 11 A -88 )
LEU( 11 A -87 )
ALA( 11 A -86 )
GLN( 11 A -85 )
GLU( 11 A -84 )
HIS( 11 A -83 )
LEU( 11 A -82 )
LYS( 11 A -81 )
HIS( 11 A -80 )
ASP( 11 A -79 )
ASN( 11 A -78 )
ALA( 11 A -77 )
SER( 11 A -76 )
ARG( 11 A -75 )
ALA( 11 A -74 )
LEU( 11 A -73 )
ALA( 11 A -72 )
LEU( 11 A -71 )
PHE( 11 A -70 )
GLU( 11 A -69 )
GLU( 11 A -68 )
LEU( 11 A -67 )
VAL( 11 A -66 )
GLU( 11 A -65 )
THR( 11 A -64 )
ASP( 11 A -63 )
PRO( 11 A -62 )
ASP( 11 A -61 )
TYR( 11 A -60 )
VAL( 11 A -59 )
GLY( 11 A -58 )
THR( 11 A -57 )
TYR( 11 A -56 )
TYR( 11 A -55 )
HIS( 11 A -54 )
LEU( 11 A -53 )
GLY( 11 A -52 )
LYS( 11 A -51 )
LEU( 11 A -50 )
TYR( 11 A -49 )
GLU( 11 A -48 )
ARG( 11 A -47 )
LEU( 11 A -46 )
ASP( 11 A -45 )
ARG( 11 A -44 )
THR( 11 A -43 )
ASP( 11 A -42 )
ASP( 11 A -41 )
ALA( 11 A -40 )
ILE( 11 A -39 )
ASP( 11 A -38 )
THR( 11 A -37 )
TYR( 11 A -36 )
ALA( 11 A -35 )
GLN( 11 A -34 )
GLY( 11 A -33 )
ILE( 11 A -32 )
GLU( 11 A -31 )
VAL( 11 A -30 )
ALA( 11 A -29 )
ARG( 11 A -28 )
GLU( 11 A -27 )
GLU( 11 A -26 )
GLY( 11 A -25 )
THR( 11 A -24 )
GLN( 11 A -23 )
LYS( 11 A -22 )
ASP( 11 A -21 )
LEU( 11 A -20 )
SER( 11 A -19 )
GLU( 11 A -18 )
LEU( 11 A -17 )
GLN( 11 A -16 )
ASP( 11 A -15 )
ALA( 11 A -14 )
LYS( 11 A -13 )
LEU( 11 A -12 )
LYS( 11 A -11 )
ALA( 11 A -10 )
GLU( 11 A -9 )
GLY( 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 )
GLU( 12 A -98 )
ASP( 12 A -97 )
PRO( 12 A -96 )
GLU( 12 A -95 )
ASP( 12 A -94 )
PRO( 12 A -93 )
PHE( 12 A -92 )
THR( 12 A -91 )
ARG( 12 A -90 )
TYR( 12 A -89 )
ALA( 12 A -88 )
LEU( 12 A -87 )
ALA( 12 A -86 )
GLN( 12 A -85 )
GLU( 12 A -84 )
HIS( 12 A -83 )
LEU( 12 A -82 )
LYS( 12 A -81 )
HIS( 12 A -80 )
ASP( 12 A -79 )
ASN( 12 A -78 )
ALA( 12 A -77 )
SER( 12 A -76 )
ARG( 12 A -75 )
ALA( 12 A -74 )
LEU( 12 A -73 )
ALA( 12 A -72 )
LEU( 12 A -71 )
PHE( 12 A -70 )
GLU( 12 A -69 )
GLU( 12 A -68 )
LEU( 12 A -67 )
VAL( 12 A -66 )
GLU( 12 A -65 )
THR( 12 A -64 )
ASP( 12 A -63 )
PRO( 12 A -62 )
ASP( 12 A -61 )
TYR( 12 A -60 )
VAL( 12 A -59 )
GLY( 12 A -58 )
THR( 12 A -57 )
TYR( 12 A -56 )
TYR( 12 A -55 )
HIS( 12 A -54 )
LEU( 12 A -53 )
GLY( 12 A -52 )
LYS( 12 A -51 )
LEU( 12 A -50 )
TYR( 12 A -49 )
GLU( 12 A -48 )
ARG( 12 A -47 )
LEU( 12 A -46 )
ASP( 12 A -45 )
ARG( 12 A -44 )
THR( 12 A -43 )
ASP( 12 A -42 )
ASP( 12 A -41 )
ALA( 12 A -40 )
ILE( 12 A -39 )
ASP( 12 A -38 )
THR( 12 A -37 )
TYR( 12 A -36 )
ALA( 12 A -35 )
GLN( 12 A -34 )
GLY( 12 A -33 )
ILE( 12 A -32 )
GLU( 12 A -31 )
VAL( 12 A -30 )
ALA( 12 A -29 )
ARG( 12 A -28 )
GLU( 12 A -27 )
GLU( 12 A -26 )
GLY( 12 A -25 )
THR( 12 A -24 )
GLN( 12 A -23 )
LYS( 12 A -22 )
ASP( 12 A -21 )
LEU( 12 A -20 )
SER( 12 A -19 )
GLU( 12 A -18 )
LEU( 12 A -17 )
GLN( 12 A -16 )
ASP( 12 A -15 )
ALA( 12 A -14 )
LYS( 12 A -13 )
LEU( 12 A -12 )
LYS( 12 A -11 )
ALA( 12 A -10 )
GLU( 12 A -9 )
GLY( 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 )
GLU( 13 A -98 )
ASP( 13 A -97 )
PRO( 13 A -96 )
GLU( 13 A -95 )
ASP( 13 A -94 )
PRO( 13 A -93 )
PHE( 13 A -92 )
THR( 13 A -91 )
ARG( 13 A -90 )
TYR( 13 A -89 )
ALA( 13 A -88 )
LEU( 13 A -87 )
ALA( 13 A -86 )
GLN( 13 A -85 )
GLU( 13 A -84 )
HIS( 13 A -83 )
LEU( 13 A -82 )
LYS( 13 A -81 )
HIS( 13 A -80 )
ASP( 13 A -79 )
ASN( 13 A -78 )
ALA( 13 A -77 )
SER( 13 A -76 )
ARG( 13 A -75 )
ALA( 13 A -74 )
LEU( 13 A -73 )
ALA( 13 A -72 )
LEU( 13 A -71 )
PHE( 13 A -70 )
GLU( 13 A -69 )
GLU( 13 A -68 )
LEU( 13 A -67 )
VAL( 13 A -66 )
GLU( 13 A -65 )
THR( 13 A -64 )
ASP( 13 A -63 )
PRO( 13 A -62 )
ASP( 13 A -61 )
TYR( 13 A -60 )
VAL( 13 A -59 )
GLY( 13 A -58 )
THR( 13 A -57 )
TYR( 13 A -56 )
TYR( 13 A -55 )
HIS( 13 A -54 )
LEU( 13 A -53 )
GLY( 13 A -52 )
LYS( 13 A -51 )
LEU( 13 A -50 )
TYR( 13 A -49 )
GLU( 13 A -48 )
ARG( 13 A -47 )
LEU( 13 A -46 )
ASP( 13 A -45 )
ARG( 13 A -44 )
THR( 13 A -43 )
ASP( 13 A -42 )
ASP( 13 A -41 )
ALA( 13 A -40 )
ILE( 13 A -39 )
ASP( 13 A -38 )
THR( 13 A -37 )
TYR( 13 A -36 )
ALA( 13 A -35 )
GLN( 13 A -34 )
GLY( 13 A -33 )
ILE( 13 A -32 )
GLU( 13 A -31 )
VAL( 13 A -30 )
ALA( 13 A -29 )
ARG( 13 A -28 )
GLU( 13 A -27 )
GLU( 13 A -26 )
GLY( 13 A -25 )
THR( 13 A -24 )
GLN( 13 A -23 )
LYS( 13 A -22 )
ASP( 13 A -21 )
LEU( 13 A -20 )
SER( 13 A -19 )
GLU( 13 A -18 )
LEU( 13 A -17 )
GLN( 13 A -16 )
ASP( 13 A -15 )
ALA( 13 A -14 )
LYS( 13 A -13 )
LEU( 13 A -12 )
LYS( 13 A -11 )
ALA( 13 A -10 )
GLU( 13 A -9 )
GLY( 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 )
GLU( 14 A -98 )
ASP( 14 A -97 )
PRO( 14 A -96 )
GLU( 14 A -95 )
ASP( 14 A -94 )
PRO( 14 A -93 )
PHE( 14 A -92 )
THR( 14 A -91 )
ARG( 14 A -90 )
TYR( 14 A -89 )
ALA( 14 A -88 )
LEU( 14 A -87 )
ALA( 14 A -86 )
GLN( 14 A -85 )
GLU( 14 A -84 )
HIS( 14 A -83 )
LEU( 14 A -82 )
LYS( 14 A -81 )
HIS( 14 A -80 )
ASP( 14 A -79 )
ASN( 14 A -78 )
ALA( 14 A -77 )
SER( 14 A -76 )
ARG( 14 A -75 )
ALA( 14 A -74 )
LEU( 14 A -73 )
ALA( 14 A -72 )
LEU( 14 A -71 )
PHE( 14 A -70 )
GLU( 14 A -69 )
GLU( 14 A -68 )
LEU( 14 A -67 )
VAL( 14 A -66 )
GLU( 14 A -65 )
THR( 14 A -64 )
ASP( 14 A -63 )
PRO( 14 A -62 )
ASP( 14 A -61 )
TYR( 14 A -60 )
VAL( 14 A -59 )
GLY( 14 A -58 )
THR( 14 A -57 )
TYR( 14 A -56 )
TYR( 14 A -55 )
HIS( 14 A -54 )
LEU( 14 A -53 )
GLY( 14 A -52 )
LYS( 14 A -51 )
LEU( 14 A -50 )
TYR( 14 A -49 )
GLU( 14 A -48 )
ARG( 14 A -47 )
LEU( 14 A -46 )
ASP( 14 A -45 )
ARG( 14 A -44 )
THR( 14 A -43 )
ASP( 14 A -42 )
ASP( 14 A -41 )
ALA( 14 A -40 )
ILE( 14 A -39 )
ASP( 14 A -38 )
THR( 14 A -37 )
TYR( 14 A -36 )
ALA( 14 A -35 )
GLN( 14 A -34 )
GLY( 14 A -33 )
ILE( 14 A -32 )
GLU( 14 A -31 )
VAL( 14 A -30 )
ALA( 14 A -29 )
ARG( 14 A -28 )
GLU( 14 A -27 )
GLU( 14 A -26 )
GLY( 14 A -25 )
THR( 14 A -24 )
GLN( 14 A -23 )
LYS( 14 A -22 )
ASP( 14 A -21 )
LEU( 14 A -20 )
SER( 14 A -19 )
GLU( 14 A -18 )
LEU( 14 A -17 )
GLN( 14 A -16 )
ASP( 14 A -15 )
ALA( 14 A -14 )
LYS( 14 A -13 )
LEU( 14 A -12 )
LYS( 14 A -11 )
ALA( 14 A -10 )
GLU( 14 A -9 )
GLY( 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 )
GLU( 15 A -98 )
ASP( 15 A -97 )
PRO( 15 A -96 )
GLU( 15 A -95 )
ASP( 15 A -94 )
PRO( 15 A -93 )
PHE( 15 A -92 )
THR( 15 A -91 )
ARG( 15 A -90 )
TYR( 15 A -89 )
ALA( 15 A -88 )
LEU( 15 A -87 )
ALA( 15 A -86 )
GLN( 15 A -85 )
GLU( 15 A -84 )
HIS( 15 A -83 )
LEU( 15 A -82 )
LYS( 15 A -81 )
HIS( 15 A -80 )
ASP( 15 A -79 )
ASN( 15 A -78 )
ALA( 15 A -77 )
SER( 15 A -76 )
ARG( 15 A -75 )
ALA( 15 A -74 )
LEU( 15 A -73 )
ALA( 15 A -72 )
LEU( 15 A -71 )
PHE( 15 A -70 )
GLU( 15 A -69 )
GLU( 15 A -68 )
LEU( 15 A -67 )
VAL( 15 A -66 )
GLU( 15 A -65 )
THR( 15 A -64 )
ASP( 15 A -63 )
PRO( 15 A -62 )
ASP( 15 A -61 )
TYR( 15 A -60 )
VAL( 15 A -59 )
GLY( 15 A -58 )
THR( 15 A -57 )
TYR( 15 A -56 )
TYR( 15 A -55 )
HIS( 15 A -54 )
LEU( 15 A -53 )
GLY( 15 A -52 )
LYS( 15 A -51 )
LEU( 15 A -50 )
TYR( 15 A -49 )
GLU( 15 A -48 )
ARG( 15 A -47 )
LEU( 15 A -46 )
ASP( 15 A -45 )
ARG( 15 A -44 )
THR( 15 A -43 )
ASP( 15 A -42 )
ASP( 15 A -41 )
ALA( 15 A -40 )
ILE( 15 A -39 )
ASP( 15 A -38 )
THR( 15 A -37 )
TYR( 15 A -36 )
ALA( 15 A -35 )
GLN( 15 A -34 )
GLY( 15 A -33 )
ILE( 15 A -32 )
GLU( 15 A -31 )
VAL( 15 A -30 )
ALA( 15 A -29 )
ARG( 15 A -28 )
GLU( 15 A -27 )
GLU( 15 A -26 )
GLY( 15 A -25 )
THR( 15 A -24 )
GLN( 15 A -23 )
LYS( 15 A -22 )
ASP( 15 A -21 )
LEU( 15 A -20 )
SER( 15 A -19 )
GLU( 15 A -18 )
LEU( 15 A -17 )
GLN( 15 A -16 )
ASP( 15 A -15 )
ALA( 15 A -14 )
LYS( 15 A -13 )
LEU( 15 A -12 )
LYS( 15 A -11 )
ALA( 15 A -10 )
GLU( 15 A -9 )
GLY( 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 )
GLU( 16 A -98 )
ASP( 16 A -97 )
PRO( 16 A -96 )
GLU( 16 A -95 )
ASP( 16 A -94 )
PRO( 16 A -93 )
PHE( 16 A -92 )
THR( 16 A -91 )
ARG( 16 A -90 )
TYR( 16 A -89 )
ALA( 16 A -88 )
LEU( 16 A -87 )
ALA( 16 A -86 )
GLN( 16 A -85 )
GLU( 16 A -84 )
HIS( 16 A -83 )
LEU( 16 A -82 )
LYS( 16 A -81 )
HIS( 16 A -80 )
ASP( 16 A -79 )
ASN( 16 A -78 )
ALA( 16 A -77 )
SER( 16 A -76 )
ARG( 16 A -75 )
ALA( 16 A -74 )
LEU( 16 A -73 )
ALA( 16 A -72 )
LEU( 16 A -71 )
PHE( 16 A -70 )
GLU( 16 A -69 )
GLU( 16 A -68 )
LEU( 16 A -67 )
VAL( 16 A -66 )
GLU( 16 A -65 )
THR( 16 A -64 )
ASP( 16 A -63 )
PRO( 16 A -62 )
ASP( 16 A -61 )
TYR( 16 A -60 )
VAL( 16 A -59 )
GLY( 16 A -58 )
THR( 16 A -57 )
TYR( 16 A -56 )
TYR( 16 A -55 )
HIS( 16 A -54 )
LEU( 16 A -53 )
GLY( 16 A -52 )
LYS( 16 A -51 )
LEU( 16 A -50 )
TYR( 16 A -49 )
GLU( 16 A -48 )
ARG( 16 A -47 )
LEU( 16 A -46 )
ASP( 16 A -45 )
ARG( 16 A -44 )
THR( 16 A -43 )
ASP( 16 A -42 )
ASP( 16 A -41 )
ALA( 16 A -40 )
ILE( 16 A -39 )
ASP( 16 A -38 )
THR( 16 A -37 )
TYR( 16 A -36 )
ALA( 16 A -35 )
GLN( 16 A -34 )
GLY( 16 A -33 )
ILE( 16 A -32 )
GLU( 16 A -31 )
VAL( 16 A -30 )
ALA( 16 A -29 )
ARG( 16 A -28 )
GLU( 16 A -27 )
GLU( 16 A -26 )
GLY( 16 A -25 )
THR( 16 A -24 )
GLN( 16 A -23 )
LYS( 16 A -22 )
ASP( 16 A -21 )
LEU( 16 A -20 )
SER( 16 A -19 )
GLU( 16 A -18 )
LEU( 16 A -17 )
GLN( 16 A -16 )
ASP( 16 A -15 )
ALA( 16 A -14 )
LYS( 16 A -13 )
LEU( 16 A -12 )
LYS( 16 A -11 )
ALA( 16 A -10 )
GLU( 16 A -9 )
GLY( 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 )
GLU( 17 A -98 )
ASP( 17 A -97 )
PRO( 17 A -96 )
GLU( 17 A -95 )
ASP( 17 A -94 )
PRO( 17 A -93 )
PHE( 17 A -92 )
THR( 17 A -91 )
ARG( 17 A -90 )
TYR( 17 A -89 )
ALA( 17 A -88 )
LEU( 17 A -87 )
ALA( 17 A -86 )
GLN( 17 A -85 )
GLU( 17 A -84 )
HIS( 17 A -83 )
LEU( 17 A -82 )
LYS( 17 A -81 )
HIS( 17 A -80 )
ASP( 17 A -79 )
ASN( 17 A -78 )
ALA( 17 A -77 )
SER( 17 A -76 )
ARG( 17 A -75 )
ALA( 17 A -74 )
LEU( 17 A -73 )
ALA( 17 A -72 )
LEU( 17 A -71 )
PHE( 17 A -70 )
GLU( 17 A -69 )
GLU( 17 A -68 )
LEU( 17 A -67 )
VAL( 17 A -66 )
GLU( 17 A -65 )
THR( 17 A -64 )
ASP( 17 A -63 )
PRO( 17 A -62 )
ASP( 17 A -61 )
TYR( 17 A -60 )
VAL( 17 A -59 )
GLY( 17 A -58 )
THR( 17 A -57 )
TYR( 17 A -56 )
TYR( 17 A -55 )
HIS( 17 A -54 )
LEU( 17 A -53 )
GLY( 17 A -52 )
LYS( 17 A -51 )
LEU( 17 A -50 )
TYR( 17 A -49 )
GLU( 17 A -48 )
ARG( 17 A -47 )
LEU( 17 A -46 )
ASP( 17 A -45 )
ARG( 17 A -44 )
THR( 17 A -43 )
ASP( 17 A -42 )
ASP( 17 A -41 )
ALA( 17 A -40 )
ILE( 17 A -39 )
ASP( 17 A -38 )
THR( 17 A -37 )
TYR( 17 A -36 )
ALA( 17 A -35 )
GLN( 17 A -34 )
GLY( 17 A -33 )
ILE( 17 A -32 )
GLU( 17 A -31 )
VAL( 17 A -30 )
ALA( 17 A -29 )
ARG( 17 A -28 )
GLU( 17 A -27 )
GLU( 17 A -26 )
GLY( 17 A -25 )
THR( 17 A -24 )
GLN( 17 A -23 )
LYS( 17 A -22 )
ASP( 17 A -21 )
LEU( 17 A -20 )
SER( 17 A -19 )
GLU( 17 A -18 )
LEU( 17 A -17 )
GLN( 17 A -16 )
ASP( 17 A -15 )
ALA( 17 A -14 )
LYS( 17 A -13 )
LEU( 17 A -12 )
LYS( 17 A -11 )
ALA( 17 A -10 )
GLU( 17 A -9 )
GLY( 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 )
GLU( 18 A -98 )
ASP( 18 A -97 )
PRO( 18 A -96 )
GLU( 18 A -95 )
ASP( 18 A -94 )
PRO( 18 A -93 )
PHE( 18 A -92 )
THR( 18 A -91 )
ARG( 18 A -90 )
TYR( 18 A -89 )
ALA( 18 A -88 )
LEU( 18 A -87 )
ALA( 18 A -86 )
GLN( 18 A -85 )
GLU( 18 A -84 )
HIS( 18 A -83 )
LEU( 18 A -82 )
LYS( 18 A -81 )
HIS( 18 A -80 )
ASP( 18 A -79 )
ASN( 18 A -78 )
ALA( 18 A -77 )
SER( 18 A -76 )
ARG( 18 A -75 )
ALA( 18 A -74 )
LEU( 18 A -73 )
ALA( 18 A -72 )
LEU( 18 A -71 )
PHE( 18 A -70 )
GLU( 18 A -69 )
GLU( 18 A -68 )
LEU( 18 A -67 )
VAL( 18 A -66 )
GLU( 18 A -65 )
THR( 18 A -64 )
ASP( 18 A -63 )
PRO( 18 A -62 )
ASP( 18 A -61 )
TYR( 18 A -60 )
VAL( 18 A -59 )
GLY( 18 A -58 )
THR( 18 A -57 )
TYR( 18 A -56 )
TYR( 18 A -55 )
HIS( 18 A -54 )
LEU( 18 A -53 )
GLY( 18 A -52 )
LYS( 18 A -51 )
LEU( 18 A -50 )
TYR( 18 A -49 )
GLU( 18 A -48 )
ARG( 18 A -47 )
LEU( 18 A -46 )
ASP( 18 A -45 )
ARG( 18 A -44 )
THR( 18 A -43 )
ASP( 18 A -42 )
ASP( 18 A -41 )
ALA( 18 A -40 )
ILE( 18 A -39 )
ASP( 18 A -38 )
THR( 18 A -37 )
TYR( 18 A -36 )
ALA( 18 A -35 )
GLN( 18 A -34 )
GLY( 18 A -33 )
ILE( 18 A -32 )
GLU( 18 A -31 )
VAL( 18 A -30 )
ALA( 18 A -29 )
ARG( 18 A -28 )
GLU( 18 A -27 )
GLU( 18 A -26 )
GLY( 18 A -25 )
THR( 18 A -24 )
GLN( 18 A -23 )
LYS( 18 A -22 )
ASP( 18 A -21 )
LEU( 18 A -20 )
SER( 18 A -19 )
GLU( 18 A -18 )
LEU( 18 A -17 )
GLN( 18 A -16 )
ASP( 18 A -15 )
ALA( 18 A -14 )
LYS( 18 A -13 )
LEU( 18 A -12 )
LYS( 18 A -11 )
ALA( 18 A -10 )
GLU( 18 A -9 )
GLY( 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 )
GLU( 19 A -98 )
ASP( 19 A -97 )
PRO( 19 A -96 )
GLU( 19 A -95 )
ASP( 19 A -94 )
PRO( 19 A -93 )
PHE( 19 A -92 )
THR( 19 A -91 )
ARG( 19 A -90 )
TYR( 19 A -89 )
ALA( 19 A -88 )
LEU( 19 A -87 )
ALA( 19 A -86 )
GLN( 19 A -85 )
GLU( 19 A -84 )
HIS( 19 A -83 )
LEU( 19 A -82 )
LYS( 19 A -81 )
HIS( 19 A -80 )
ASP( 19 A -79 )
ASN( 19 A -78 )
ALA( 19 A -77 )
SER( 19 A -76 )
ARG( 19 A -75 )
ALA( 19 A -74 )
LEU( 19 A -73 )
ALA( 19 A -72 )
LEU( 19 A -71 )
PHE( 19 A -70 )
GLU( 19 A -69 )
GLU( 19 A -68 )
LEU( 19 A -67 )
VAL( 19 A -66 )
GLU( 19 A -65 )
THR( 19 A -64 )
ASP( 19 A -63 )
PRO( 19 A -62 )
ASP( 19 A -61 )
TYR( 19 A -60 )
VAL( 19 A -59 )
GLY( 19 A -58 )
THR( 19 A -57 )
TYR( 19 A -56 )
TYR( 19 A -55 )
HIS( 19 A -54 )
LEU( 19 A -53 )
GLY( 19 A -52 )
LYS( 19 A -51 )
LEU( 19 A -50 )
TYR( 19 A -49 )
GLU( 19 A -48 )
ARG( 19 A -47 )
LEU( 19 A -46 )
ASP( 19 A -45 )
ARG( 19 A -44 )
THR( 19 A -43 )
ASP( 19 A -42 )
ASP( 19 A -41 )
ALA( 19 A -40 )
ILE( 19 A -39 )
ASP( 19 A -38 )
THR( 19 A -37 )
TYR( 19 A -36 )
ALA( 19 A -35 )
GLN( 19 A -34 )
GLY( 19 A -33 )
ILE( 19 A -32 )
GLU( 19 A -31 )
VAL( 19 A -30 )
ALA( 19 A -29 )
ARG( 19 A -28 )
GLU( 19 A -27 )
GLU( 19 A -26 )
GLY( 19 A -25 )
THR( 19 A -24 )
GLN( 19 A -23 )
LYS( 19 A -22 )
ASP( 19 A -21 )
LEU( 19 A -20 )
SER( 19 A -19 )
GLU( 19 A -18 )
LEU( 19 A -17 )
GLN( 19 A -16 )
ASP( 19 A -15 )
ALA( 19 A -14 )
LYS( 19 A -13 )
LEU( 19 A -12 )
LYS( 19 A -11 )
ALA( 19 A -10 )
GLU( 19 A -9 )
GLY( 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 )
GLU( 20 A -98 )
ASP( 20 A -97 )
PRO( 20 A -96 )
GLU( 20 A -95 )
ASP( 20 A -94 )
PRO( 20 A -93 )
PHE( 20 A -92 )
THR( 20 A -91 )
ARG( 20 A -90 )
TYR( 20 A -89 )
ALA( 20 A -88 )
LEU( 20 A -87 )
ALA( 20 A -86 )
GLN( 20 A -85 )
GLU( 20 A -84 )
HIS( 20 A -83 )
LEU( 20 A -82 )
LYS( 20 A -81 )
HIS( 20 A -80 )
ASP( 20 A -79 )
ASN( 20 A -78 )
ALA( 20 A -77 )
SER( 20 A -76 )
ARG( 20 A -75 )
ALA( 20 A -74 )
LEU( 20 A -73 )
ALA( 20 A -72 )
LEU( 20 A -71 )
PHE( 20 A -70 )
GLU( 20 A -69 )
GLU( 20 A -68 )
LEU( 20 A -67 )
VAL( 20 A -66 )
GLU( 20 A -65 )
THR( 20 A -64 )
ASP( 20 A -63 )
PRO( 20 A -62 )
ASP( 20 A -61 )
TYR( 20 A -60 )
VAL( 20 A -59 )
GLY( 20 A -58 )
THR( 20 A -57 )
TYR( 20 A -56 )
TYR( 20 A -55 )
HIS( 20 A -54 )
LEU( 20 A -53 )
GLY( 20 A -52 )
LYS( 20 A -51 )
LEU( 20 A -50 )
TYR( 20 A -49 )
GLU( 20 A -48 )
ARG( 20 A -47 )
LEU( 20 A -46 )
ASP( 20 A -45 )
ARG( 20 A -44 )
THR( 20 A -43 )
ASP( 20 A -42 )
ASP( 20 A -41 )
ALA( 20 A -40 )
ILE( 20 A -39 )
ASP( 20 A -38 )
THR( 20 A -37 )
TYR( 20 A -36 )
ALA( 20 A -35 )
GLN( 20 A -34 )
GLY( 20 A -33 )
ILE( 20 A -32 )
GLU( 20 A -31 )
VAL( 20 A -30 )
ALA( 20 A -29 )
ARG( 20 A -28 )
GLU( 20 A -27 )
GLU( 20 A -26 )
GLY( 20 A -25 )
THR( 20 A -24 )
GLN( 20 A -23 )
LYS( 20 A -22 )
ASP( 20 A -21 )
LEU( 20 A -20 )
SER( 20 A -19 )
GLU( 20 A -18 )
LEU( 20 A -17 )
GLN( 20 A -16 )
ASP( 20 A -15 )
ALA( 20 A -14 )
LYS( 20 A -13 )
LEU( 20 A -12 )
LYS( 20 A -11 )
ALA( 20 A -10 )
GLU( 20 A -9 )
GLY( 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: GLU ASP PRO GLU ASP PRO PHE THR ARG TYR ALA LEU ALA GLN GLU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
16 30
SEQRES: HIS LEU LYS HIS ASP ASN ALA SER ARG ALA LEU ALA LEU PHE GLU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
31 45
SEQRES: GLU LEU VAL GLU THR ASP PRO ASP TYR VAL GLY THR TYR TYR HIS
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
46 60
SEQRES: LEU GLY LYS LEU TYR GLU ARG LEU ASP ARG THR ASP ASP ALA ILE
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
61 75
SEQRES: ASP THR TYR ALA GLN GLY ILE GLU VAL ALA ARG GLU GLU GLY THR
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
76 90
SEQRES: GLN LYS ASP LEU SER GLU LEU GLN ASP ALA LYS LEU LYS ALA GLU
COORDS: ... ... ... ... ... ... ... ... ... ... ... ... ... ... ...
91 105
SEQRES: GLY LEU GLU HIS HIS HIS HIS HIS HIS GLU ASP PRO GLU ASP PRO
COORDS: ... ... ... ... ... ... ... ... ... GLU ASP PRO GLU ASP PRO
1 6
106 120
SEQRES: PHE THR ARG TYR ALA LEU ALA GLN GLU HIS LEU LYS HIS ASP ASN
COORDS: PHE THR ARG TYR ALA LEU ALA GLN GLU HIS LEU LYS HIS ASP ASN
7 21
121 135
SEQRES: ALA SER ARG ALA LEU ALA LEU PHE GLU GLU LEU VAL GLU THR ASP
COORDS: ALA SER ARG ALA LEU ALA LEU PHE GLU GLU LEU VAL GLU THR ASP
22 36
136 150
SEQRES: PRO ASP TYR VAL GLY THR TYR TYR HIS LEU GLY LYS LEU TYR GLU
COORDS: PRO ASP TYR VAL GLY THR TYR TYR HIS LEU GLY LYS LEU TYR GLU
37 51
151 165
SEQRES: ARG LEU ASP ARG THR ASP ASP ALA ILE ASP THR TYR ALA GLN GLY
COORDS: ARG LEU ASP ARG THR ASP ASP ALA ILE ASP THR TYR ALA GLN GLY
52 66
166 180
SEQRES: ILE GLU VAL ALA ARG GLU GLU GLY THR GLN LYS ASP LEU SER GLU
COORDS: ILE GLU VAL ALA ARG GLU GLU GLY THR GLN LYS ASP LEU SER GLU
67 81
181 195
SEQRES: LEU GLN ASP ALA LYS LEU LYS ALA GLU GLY LEU GLU HIS HIS HIS
COORDS: LEU GLN ASP ALA LYS LEU LYS ALA GLU GLY LEU GLU HIS HIS HIS
82 96
196 198
SEQRES: HIS HIS HIS
COORDS: HIS HIS HIS
97 99
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
GLU( 1 A 1) HE2
ASP( 1 A 2) HD2
GLU( 1 A 4) HE2
ASP( 1 A 5) HD2
GLU( 1 A 15) HE2
HIS( 1 A 16) HD1
HIS( 1 A 19) HD1
ASP( 1 A 20) HD2
GLU( 1 A 30) HE2
GLU( 1 A 31) HE2
GLU( 1 A 34) HE2
ASP( 1 A 36) HD2
ASP( 1 A 38) HD2
HIS( 1 A 45) HD1
GLU( 1 A 51) HE2
ASP( 1 A 54) HD2
ASP( 1 A 57) HD2
ASP( 1 A 58) HD2
ASP( 1 A 61) HD2
GLU( 1 A 68) HE2
GLU( 1 A 72) HE2
GLU( 1 A 73) HE2
ASP( 1 A 78) HD2
GLU( 1 A 81) HE2
ASP( 1 A 84) HD2
GLU( 1 A 90) HE2
GLU( 1 A 93) HE2
HIS( 1 A 94) HD1
HIS( 1 A 95) HE2
HIS( 1 A 96) HE2
HIS( 1 A 97) HE2
HIS( 1 A 98) HD1
HIS( 1 A 99) HD1
GLU( 2 A 1) HE2
ASP( 2 A 2) HD2
GLU( 2 A 4) HE2
ASP( 2 A 5) HD2
GLU( 2 A 15) HE2
HIS( 2 A 16) HD1
HIS( 2 A 19) HD1
ASP( 2 A 20) HD2
GLU( 2 A 30) HE2
GLU( 2 A 31) HE2
GLU( 2 A 34) HE2
ASP( 2 A 36) HD2
ASP( 2 A 38) HD2
HIS( 2 A 45) HD1
GLU( 2 A 51) HE2
ASP( 2 A 54) HD2
ASP( 2 A 57) HD2
ASP( 2 A 58) HD2
ASP( 2 A 61) HD2
GLU( 2 A 68) HE2
GLU( 2 A 72) HE2
GLU( 2 A 73) HE2
ASP( 2 A 78) HD2
GLU( 2 A 81) HE2
ASP( 2 A 84) HD2
GLU( 2 A 90) HE2
GLU( 2 A 93) HE2
HIS( 2 A 94) HD1
HIS( 2 A 95) HD1
HIS( 2 A 96) HE2
HIS( 2 A 97) HE2
HIS( 2 A 98) HE2
HIS( 2 A 99) HD1
GLU( 3 A 1) HE2
ASP( 3 A 2) HD2
GLU( 3 A 4) HE2
ASP( 3 A 5) HD2
GLU( 3 A 15) HE2
HIS( 3 A 16) HD1
HIS( 3 A 19) HD1
ASP( 3 A 20) HD2
GLU( 3 A 30) HE2
GLU( 3 A 31) HE2
GLU( 3 A 34) HE2
ASP( 3 A 36) HD2
ASP( 3 A 38) HD2
HIS( 3 A 45) HD1
GLU( 3 A 51) HE2
ASP( 3 A 54) HD2
ASP( 3 A 57) HD2
ASP( 3 A 58) HD2
ASP( 3 A 61) HD2
GLU( 3 A 68) HE2
GLU( 3 A 72) HE2
GLU( 3 A 73) HE2
ASP( 3 A 78) HD2
GLU( 3 A 81) HE2
ASP( 3 A 84) HD2
GLU( 3 A 90) HE2
GLU( 3 A 93) HE2
HIS( 3 A 94) HD1
HIS( 3 A 95) HE2
HIS( 3 A 96) HD1
HIS( 3 A 97) HD1
HIS( 3 A 98) HD1
HIS( 3 A 99) HE2
GLU( 4 A 1) HE2
ASP( 4 A 2) HD2
GLU( 4 A 4) HE2
ASP( 4 A 5) HD2
GLU( 4 A 15) HE2
HIS( 4 A 16) HD1
HIS( 4 A 19) HE2
ASP( 4 A 20) HD2
GLU( 4 A 30) HE2
GLU( 4 A 31) HE2
GLU( 4 A 34) HE2
ASP( 4 A 36) HD2
ASP( 4 A 38) HD2
HIS( 4 A 45) HE2
GLU( 4 A 51) HE2
ASP( 4 A 54) HD2
ASP( 4 A 57) HD2
ASP( 4 A 58) HD2
ASP( 4 A 61) HD2
GLU( 4 A 68) HE2
GLU( 4 A 72) HE2
GLU( 4 A 73) HE2
ASP( 4 A 78) HD2
GLU( 4 A 81) HE2
ASP( 4 A 84) HD2
GLU( 4 A 90) HE2
GLU( 4 A 93) HE2
HIS( 4 A 94) HD1
HIS( 4 A 95) HE2
HIS( 4 A 96) HD1
HIS( 4 A 97) HE2
HIS( 4 A 98) HE2
HIS( 4 A 99) HD1
GLU( 5 A 1) HE2
ASP( 5 A 2) HD2
GLU( 5 A 4) HE2
ASP( 5 A 5) HD2
GLU( 5 A 15) HE2
HIS( 5 A 16) HD1
HIS( 5 A 19) HD1
ASP( 5 A 20) HD2
GLU( 5 A 30) HE2
GLU( 5 A 31) HE2
GLU( 5 A 34) HE2
ASP( 5 A 36) HD2
ASP( 5 A 38) HD2
HIS( 5 A 45) HD1
GLU( 5 A 51) HE2
ASP( 5 A 54) HD2
ASP( 5 A 57) HD2
ASP( 5 A 58) HD2
ASP( 5 A 61) HD2
GLU( 5 A 68) HE2
GLU( 5 A 72) HE2
GLU( 5 A 73) HE2
ASP( 5 A 78) HD2
GLU( 5 A 81) HE2
ASP( 5 A 84) HD2
GLU( 5 A 90) HE2
GLU( 5 A 93) HE2
HIS( 5 A 94) HD1
HIS( 5 A 95) HE2
HIS( 5 A 96) HE2
HIS( 5 A 97) HE2
HIS( 5 A 98) HD1
HIS( 5 A 99) HE2
GLU( 6 A 1) HE2
ASP( 6 A 2) HD2
GLU( 6 A 4) HE2
ASP( 6 A 5) HD2
GLU( 6 A 15) HE2
HIS( 6 A 16) HD1
HIS( 6 A 19) HD1
ASP( 6 A 20) HD2
GLU( 6 A 30) HE2
GLU( 6 A 31) HE2
GLU( 6 A 34) HE2
ASP( 6 A 36) HD2
ASP( 6 A 38) HD2
HIS( 6 A 45) HD1
GLU( 6 A 51) HE2
ASP( 6 A 54) HD2
ASP( 6 A 57) HD2
ASP( 6 A 58) HD2
ASP( 6 A 61) HD2
GLU( 6 A 68) HE2
GLU( 6 A 72) HE2
GLU( 6 A 73) HE2
ASP( 6 A 78) HD2
GLU( 6 A 81) HE2
ASP( 6 A 84) HD2
GLU( 6 A 90) HE2
GLU( 6 A 93) HE2
HIS( 6 A 94) HE2
HIS( 6 A 95) HE2
HIS( 6 A 96) HE2
HIS( 6 A 97) HD1
HIS( 6 A 98) HE2
HIS( 6 A 99) HD1
GLU( 7 A 1) HE2
ASP( 7 A 2) HD2
GLU( 7 A 4) HE2
ASP( 7 A 5) HD2
GLU( 7 A 15) HE2
HIS( 7 A 16) HD1
HIS( 7 A 19) HD1
ASP( 7 A 20) HD2
GLU( 7 A 30) HE2
GLU( 7 A 31) HE2
GLU( 7 A 34) HE2
ASP( 7 A 36) HD2
ASP( 7 A 38) HD2
HIS( 7 A 45) HD1
GLU( 7 A 51) HE2
ASP( 7 A 54) HD2
ASP( 7 A 57) HD2
ASP( 7 A 58) HD2
ASP( 7 A 61) HD2
GLU( 7 A 68) HE2
GLU( 7 A 72) HE2
GLU( 7 A 73) HE2
ASP( 7 A 78) HD2
GLU( 7 A 81) HE2
ASP( 7 A 84) HD2
GLU( 7 A 90) HE2
GLU( 7 A 93) HE2
HIS( 7 A 94) HE2
HIS( 7 A 95) HE2
HIS( 7 A 96) HE2
HIS( 7 A 97) HE2
HIS( 7 A 98) HD1
HIS( 7 A 99) HD1
GLU( 8 A 1) HE2
ASP( 8 A 2) HD2
GLU( 8 A 4) HE2
ASP( 8 A 5) HD2
GLU( 8 A 15) HE2
HIS( 8 A 16) HD1
HIS( 8 A 19) HD1
ASP( 8 A 20) HD2
GLU( 8 A 30) HE2
GLU( 8 A 31) HE2
GLU( 8 A 34) HE2
ASP( 8 A 36) HD2
ASP( 8 A 38) HD2
HIS( 8 A 45) HD1
GLU( 8 A 51) HE2
ASP( 8 A 54) HD2
ASP( 8 A 57) HD2
ASP( 8 A 58) HD2
ASP( 8 A 61) HD2
GLU( 8 A 68) HE2
GLU( 8 A 72) HE2
GLU( 8 A 73) HE2
ASP( 8 A 78) HD2
GLU( 8 A 81) HE2
ASP( 8 A 84) HD2
GLU( 8 A 90) HE2
GLU( 8 A 93) HE2
HIS( 8 A 94) HD1
HIS( 8 A 95) HE2
HIS( 8 A 96) HD1
HIS( 8 A 97) HE2
HIS( 8 A 98) HD1
HIS( 8 A 99) HE2
GLU( 9 A 1) HE2
ASP( 9 A 2) HD2
GLU( 9 A 4) HE2
ASP( 9 A 5) HD2
GLU( 9 A 15) HE2
HIS( 9 A 16) HD1
HIS( 9 A 19) HD1
ASP( 9 A 20) HD2
GLU( 9 A 30) HE2
GLU( 9 A 31) HE2
GLU( 9 A 34) HE2
ASP( 9 A 36) HD2
ASP( 9 A 38) HD2
HIS( 9 A 45) HD1
GLU( 9 A 51) HE2
ASP( 9 A 54) HD2
ASP( 9 A 57) HD2
ASP( 9 A 58) HD2
ASP( 9 A 61) HD2
GLU( 9 A 68) HE2
GLU( 9 A 72) HE2
GLU( 9 A 73) HE2
ASP( 9 A 78) HD2
GLU( 9 A 81) HE2
ASP( 9 A 84) HD2
GLU( 9 A 90) HE2
GLU( 9 A 93) HE2
HIS( 9 A 94) HE2
HIS( 9 A 95) HE2
HIS( 9 A 96) HE2
HIS( 9 A 97) HE2
HIS( 9 A 98) HD1
HIS( 9 A 99) HD1
GLU( 10 A 1) HE2
ASP( 10 A 2) HD2
GLU( 10 A 4) HE2
ASP( 10 A 5) HD2
GLU( 10 A 15) HE2
HIS( 10 A 16) HD1
HIS( 10 A 19) HD1
ASP( 10 A 20) HD2
GLU( 10 A 30) HE2
GLU( 10 A 31) HE2
GLU( 10 A 34) HE2
ASP( 10 A 36) HD2
ASP( 10 A 38) HD2
HIS( 10 A 45) HD1
GLU( 10 A 51) HE2
ASP( 10 A 54) HD2
ASP( 10 A 57) HD2
ASP( 10 A 58) HD2
ASP( 10 A 61) HD2
GLU( 10 A 68) HE2
GLU( 10 A 72) HE2
GLU( 10 A 73) HE2
ASP( 10 A 78) HD2
GLU( 10 A 81) HE2
ASP( 10 A 84) HD2
GLU( 10 A 90) HE2
GLU( 10 A 93) HE2
HIS( 10 A 94) HD1
HIS( 10 A 95) HD1
HIS( 10 A 96) HD1
HIS( 10 A 97) HD1
HIS( 10 A 98) HE2
HIS( 10 A 99) HE2
GLU( 11 A 1) HE2
ASP( 11 A 2) HD2
GLU( 11 A 4) HE2
ASP( 11 A 5) HD2
GLU( 11 A 15) HE2
HIS( 11 A 16) HD1
HIS( 11 A 19) HD1
ASP( 11 A 20) HD2
GLU( 11 A 30) HE2
GLU( 11 A 31) HE2
GLU( 11 A 34) HE2
ASP( 11 A 36) HD2
ASP( 11 A 38) HD2
HIS( 11 A 45) HD1
GLU( 11 A 51) HE2
ASP( 11 A 54) HD2
ASP( 11 A 57) HD2
ASP( 11 A 58) HD2
ASP( 11 A 61) HD2
GLU( 11 A 68) HE2
GLU( 11 A 72) HE2
GLU( 11 A 73) HE2
ASP( 11 A 78) HD2
GLU( 11 A 81) HE2
ASP( 11 A 84) HD2
GLU( 11 A 90) HE2
GLU( 11 A 93) HE2
HIS( 11 A 94) HD1
HIS( 11 A 95) HD1
HIS( 11 A 96) HE2
HIS( 11 A 97) HD1
HIS( 11 A 98) HD1
HIS( 11 A 99) HE2
GLU( 12 A 1) HE2
ASP( 12 A 2) HD2
GLU( 12 A 4) HE2
ASP( 12 A 5) HD2
GLU( 12 A 15) HE2
HIS( 12 A 16) HD1
HIS( 12 A 19) HE2
ASP( 12 A 20) HD2
GLU( 12 A 30) HE2
GLU( 12 A 31) HE2
GLU( 12 A 34) HE2
ASP( 12 A 36) HD2
ASP( 12 A 38) HD2
HIS( 12 A 45) HD1
GLU( 12 A 51) HE2
ASP( 12 A 54) HD2
ASP( 12 A 57) HD2
ASP( 12 A 58) HD2
ASP( 12 A 61) HD2
GLU( 12 A 68) HE2
GLU( 12 A 72) HE2
GLU( 12 A 73) HE2
ASP( 12 A 78) HD2
GLU( 12 A 81) HE2
ASP( 12 A 84) HD2
GLU( 12 A 90) HE2
GLU( 12 A 93) HE2
HIS( 12 A 94) HE2
HIS( 12 A 95) HE2
HIS( 12 A 96) HE2
HIS( 12 A 97) HE2
HIS( 12 A 98) HD1
HIS( 12 A 99) HE2
GLU( 13 A 1) HE2
ASP( 13 A 2) HD2
GLU( 13 A 4) HE2
ASP( 13 A 5) HD2
GLU( 13 A 15) HE2
HIS( 13 A 16) HD1
HIS( 13 A 19) HD1
ASP( 13 A 20) HD2
GLU( 13 A 30) HE2
GLU( 13 A 31) HE2
GLU( 13 A 34) HE2
ASP( 13 A 36) HD2
ASP( 13 A 38) HD2
HIS( 13 A 45) HD1
GLU( 13 A 51) HE2
ASP( 13 A 54) HD2
ASP( 13 A 57) HD2
ASP( 13 A 58) HD2
ASP( 13 A 61) HD2
GLU( 13 A 68) HE2
GLU( 13 A 72) HE2
GLU( 13 A 73) HE2
ASP( 13 A 78) HD2
GLU( 13 A 81) HE2
ASP( 13 A 84) HD2
GLU( 13 A 90) HE2
GLU( 13 A 93) HE2
HIS( 13 A 94) HD1
HIS( 13 A 95) HD1
HIS( 13 A 96) HD1
HIS( 13 A 97) HD1
HIS( 13 A 98) HE2
HIS( 13 A 99) HE2
GLU( 14 A 1) HE2
ASP( 14 A 2) HD2
GLU( 14 A 4) HE2
ASP( 14 A 5) HD2
GLU( 14 A 15) HE2
HIS( 14 A 16) HD1
HIS( 14 A 19) HD1
ASP( 14 A 20) HD2
GLU( 14 A 30) HE2
GLU( 14 A 31) HE2
GLU( 14 A 34) HE2
ASP( 14 A 36) HD2
ASP( 14 A 38) HD2
HIS( 14 A 45) HD1
GLU( 14 A 51) HE2
ASP( 14 A 54) HD2
ASP( 14 A 57) HD2
ASP( 14 A 58) HD2
ASP( 14 A 61) HD2
GLU( 14 A 68) HE2
GLU( 14 A 72) HE2
GLU( 14 A 73) HE2
ASP( 14 A 78) HD2
GLU( 14 A 81) HE2
ASP( 14 A 84) HD2
GLU( 14 A 90) HE2
GLU( 14 A 93) HE2
HIS( 14 A 94) HE2
HIS( 14 A 95) HD1
HIS( 14 A 96) HE2
HIS( 14 A 97) HD1
HIS( 14 A 98) HD1
HIS( 14 A 99) HE2
GLU( 15 A 1) HE2
ASP( 15 A 2) HD2
GLU( 15 A 4) HE2
ASP( 15 A 5) HD2
GLU( 15 A 15) HE2
HIS( 15 A 16) HD1
HIS( 15 A 19) HE2
ASP( 15 A 20) HD2
GLU( 15 A 30) HE2
GLU( 15 A 31) HE2
GLU( 15 A 34) HE2
ASP( 15 A 36) HD2
ASP( 15 A 38) HD2
HIS( 15 A 45) HD1
GLU( 15 A 51) HE2
ASP( 15 A 54) HD2
ASP( 15 A 57) HD2
ASP( 15 A 58) HD2
ASP( 15 A 61) HD2
GLU( 15 A 68) HE2
GLU( 15 A 72) HE2
GLU( 15 A 73) HE2
ASP( 15 A 78) HD2
GLU( 15 A 81) HE2
ASP( 15 A 84) HD2
GLU( 15 A 90) HE2
GLU( 15 A 93) HE2
HIS( 15 A 94) HD1
HIS( 15 A 95) HE2
HIS( 15 A 96) HE2
HIS( 15 A 97) HD1
HIS( 15 A 98) HD1
HIS( 15 A 99) HD1
GLU( 16 A 1) HE2
ASP( 16 A 2) HD2
GLU( 16 A 4) HE2
ASP( 16 A 5) HD2
GLU( 16 A 15) HE2
HIS( 16 A 16) HD1
HIS( 16 A 19) HD1
ASP( 16 A 20) HD2
GLU( 16 A 30) HE2
GLU( 16 A 31) HE2
GLU( 16 A 34) HE2
ASP( 16 A 36) HD2
ASP( 16 A 38) HD2
HIS( 16 A 45) HD1
GLU( 16 A 51) HE2
ASP( 16 A 54) HD2
ASP( 16 A 57) HD2
ASP( 16 A 58) HD2
ASP( 16 A 61) HD2
GLU( 16 A 68) HE2
GLU( 16 A 72) HE2
GLU( 16 A 73) HE2
ASP( 16 A 78) HD2
GLU( 16 A 81) HE2
ASP( 16 A 84) HD2
GLU( 16 A 90) HE2
GLU( 16 A 93) HE2
HIS( 16 A 94) HD1
HIS( 16 A 95) HE2
HIS( 16 A 96) HE2
HIS( 16 A 97) HD1
HIS( 16 A 98) HD1
HIS( 16 A 99) HE2
GLU( 17 A 1) HE2
ASP( 17 A 2) HD2
GLU( 17 A 4) HE2
ASP( 17 A 5) HD2
GLU( 17 A 15) HE2
HIS( 17 A 16) HD1
HIS( 17 A 19) HE2
ASP( 17 A 20) HD2
GLU( 17 A 30) HE2
GLU( 17 A 31) HE2
GLU( 17 A 34) HE2
ASP( 17 A 36) HD2
ASP( 17 A 38) HD2
HIS( 17 A 45) HE2
GLU( 17 A 51) HE2
ASP( 17 A 54) HD2
ASP( 17 A 57) HD2
ASP( 17 A 58) HD2
ASP( 17 A 61) HD2
GLU( 17 A 68) HE2
GLU( 17 A 72) HE2
GLU( 17 A 73) HE2
ASP( 17 A 78) HD2
GLU( 17 A 81) HE2
ASP( 17 A 84) HD2
GLU( 17 A 90) HE2
GLU( 17 A 93) HE2
HIS( 17 A 94) HD1
HIS( 17 A 95) HE2
HIS( 17 A 96) HD1
HIS( 17 A 97) HE2
HIS( 17 A 98) HD1
HIS( 17 A 99) HD1
GLU( 18 A 1) HE2
ASP( 18 A 2) HD2
GLU( 18 A 4) HE2
ASP( 18 A 5) HD2
GLU( 18 A 15) HE2
HIS( 18 A 16) HD1
HIS( 18 A 19) HD1
ASP( 18 A 20) HD2
GLU( 18 A 30) HE2
GLU( 18 A 31) HE2
GLU( 18 A 34) HE2
ASP( 18 A 36) HD2
ASP( 18 A 38) HD2
HIS( 18 A 45) HD1
GLU( 18 A 51) HE2
ASP( 18 A 54) HD2
ASP( 18 A 57) HD2
ASP( 18 A 58) HD2
ASP( 18 A 61) HD2
GLU( 18 A 68) HE2
GLU( 18 A 72) HE2
GLU( 18 A 73) HE2
ASP( 18 A 78) HD2
GLU( 18 A 81) HE2
ASP( 18 A 84) HD2
GLU( 18 A 90) HE2
GLU( 18 A 93) HE2
HIS( 18 A 94) HE2
HIS( 18 A 95) HD1
HIS( 18 A 96) HE2
HIS( 18 A 97) HE2
HIS( 18 A 98) HE2
HIS( 18 A 99) HD1
GLU( 19 A 1) HE2
ASP( 19 A 2) HD2
GLU( 19 A 4) HE2
ASP( 19 A 5) HD2
GLU( 19 A 15) HE2
HIS( 19 A 16) HD1
HIS( 19 A 19) HD1
ASP( 19 A 20) HD2
GLU( 19 A 30) HE2
GLU( 19 A 31) HE2
GLU( 19 A 34) HE2
ASP( 19 A 36) HD2
ASP( 19 A 38) HD2
HIS( 19 A 45) HD1
GLU( 19 A 51) HE2
ASP( 19 A 54) HD2
ASP( 19 A 57) HD2
ASP( 19 A 58) HD2
ASP( 19 A 61) HD2
GLU( 19 A 68) HE2
GLU( 19 A 72) HE2
GLU( 19 A 73) HE2
ASP( 19 A 78) HD2
GLU( 19 A 81) HE2
ASP( 19 A 84) HD2
GLU( 19 A 90) HE2
GLU( 19 A 93) HE2
HIS( 19 A 94) HE2
HIS( 19 A 95) HD1
HIS( 19 A 96) HE2
HIS( 19 A 97) HE2
HIS( 19 A 98) HE2
HIS( 19 A 99) HE2
GLU( 20 A 1) HE2
ASP( 20 A 2) HD2
GLU( 20 A 4) HE2
ASP( 20 A 5) HD2
GLU( 20 A 15) HE2
HIS( 20 A 16) HD1
HIS( 20 A 19) HD1
ASP( 20 A 20) HD2
GLU( 20 A 30) HE2
GLU( 20 A 31) HE2
GLU( 20 A 34) HE2
ASP( 20 A 36) HD2
ASP( 20 A 38) HD2
HIS( 20 A 45) HD1
GLU( 20 A 51) HE2
ASP( 20 A 54) HD2
ASP( 20 A 57) HD2
ASP( 20 A 58) HD2
ASP( 20 A 61) HD2
GLU( 20 A 68) HE2
GLU( 20 A 72) HE2
GLU( 20 A 73) HE2
ASP( 20 A 78) HD2
GLU( 20 A 81) HE2
ASP( 20 A 84) HD2
GLU( 20 A 90) HE2
GLU( 20 A 93) HE2
HIS( 20 A 94) HE2
HIS( 20 A 95) HE2
HIS( 20 A 96) HE2
HIS( 20 A 97) HD1
HIS( 20 A 98) HD1
HIS( 20 A 99) HD1
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 99) O2
HIS( 2 A 99) O2
HIS( 3 A 99) O2
HIS( 4 A 99) O2
HIS( 5 A 99) O2
HIS( 6 A 99) O2
HIS( 7 A 99) O2
HIS( 8 A 99) O2
HIS( 9 A 99) O2
HIS( 10 A 99) O2
HIS( 11 A 99) O2
HIS( 12 A 99) O2
HIS( 13 A 99) O2
HIS( 14 A 99) O2
HIS( 15 A 99) O2
HIS( 16 A 99) O2
HIS( 17 A 99) O2
HIS( 18 A 99) O2
HIS( 19 A 99) O2
HIS( 20 A 99) O2
CHECK TERMINAL ATOMS
--------------------
Terminal atom(s) showed in middle of sequence will be deleted:
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
1H GLU 1 A
2H GLU 1 A
3H GLU 1 A
SRR115C_R3_em_bcr3.pdb: Missing KEYWDS records
SRR115C_R3_em_bcr3.pdb: Missing TITLE record