NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
491689 |
2jvr   |
15487 | cing | 1-original | 1 | AMBER | distance | NOE | ambi |
# Npl3_2RRM protein distance constrain list
# 69 THR HB 70 GLY HN 3.46
&rst
ixpk= 0, nxpk= 0, iat= 708, 718, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 35 ASN HN 69 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 191, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 THR HB 57 THR HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= 519, 529, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 56 THR HB 74 PHE HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= 519, 771, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 56 THR HB 72 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 519, 737, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 THR HB 72 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 519, 742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 THR HB 79 ILE QG2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 850, 851, 852,
&end
#
# 56 THR HB 72 LEU QD1 4.35
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 744, 745, 746,
&end
#
# 34 LYS HN 98 THR HB 4.93
&rst
ixpk= 0, nxpk= 0, iat= 169,1163, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 98 THR HN 98 THR HB 3.96
&rst
ixpk= 0, nxpk= 0, iat=1159,1163, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 98 THR HB 99 VAL HA 5.40
&rst
ixpk= 0, nxpk= 0, iat=1163,1175, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 35 ASN HA 98 THR HB 4.42
&rst
ixpk= 0, nxpk= 0, iat= 193,1163, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 35 ASN HB2 98 THR HB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 195,1163, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 97 ILE QG2 98 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1146,1147,1148,
&end
#
# 98 THR HB 99 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1183,1184,1185,
&end
#
# 32 THR HB 102 ASP HN 5.45
&rst
ixpk= 0, nxpk= 0, iat= 142,1228, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 32 THR HN 32 THR HB 3.63
&rst
ixpk= 0, nxpk= 0, iat= 138, 142, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 32 THR HB 33 MET HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= 142, 152, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 32 THR HB 100 GLU HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 142,1189, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 32 THR HB 33 MET HA 4.57
&rst
ixpk= 0, nxpk= 0, iat= 142, 154, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 32 THR HB 34 LYS QE 5.43
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 182, 183,
&end
#
# 32 THR HB 100 GLU QG 4.26
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1196,1197,
&end
#
# 57 THR HB 58 PHE HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 533, 543, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 57 THR HB 58 PHE HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= 533, 545, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 57 THR HB 58 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 533, 548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 SER HB3 43 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 276, 306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 SER HB3 42 TRP HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 276, 282, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 41 SER HB3 44 ASP HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 276, 323, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 41 SER HB3 42 TRP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 276, 284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 SER HB2 44 ASP HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 275, 323, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 41 SER HB2 61 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 591, 592, 593,
&end
#
# 40 CYS HA 41 SER HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 262, 275, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 80 LEU HA 81 VAL HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= 865, 884, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 81 VAL HA 84 LEU HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 884, 928, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 81 VAL HA 84 LEU HG 4.32
&rst
ixpk= 0, nxpk= 0, iat= 884, 930, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 81 VAL HA 84 LEU HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 884, 927, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 81 VAL HA 84 LEU QD1 3.70
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 932, 933, 934,
&end
#
# 81 VAL HA 83 ALA HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 884, 913, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 81 VAL HA 84 LEU HA 5.41
&rst
ixpk= 0, nxpk= 0, iat= 884, 925, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 76 SER HB3 79 ILE HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 808, 844, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 76 SER HB3 79 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 808, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 SER HB3 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 857, 858, 859,
&end
#
# 76 SER HB2 78 GLU HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 807, 829, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 76 SER HB2 79 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 807, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 SER HB3 78 GLU HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 808, 829, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 76 SER HB3 77 GLU HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= 808, 814, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 76 SER HB3 77 GLU HG2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 808, 821, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 76 SER HB3 78 GLU HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= 808, 834, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 76 SER HB3 78 GLU HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 808, 833, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 76 SER HB2 79 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 807, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 SER HB2 77 GLU HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= 807, 816, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 76 SER HB2 77 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 807, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 SER HB3 72 LEU HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= 568, 737, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 42 TRP HB3 59 SER HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= 287, 568, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 59 SER HB3 72 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 568, 742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 LEU QD1 59 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 344, 345, 346,
&end
#
# 59 SER HB2 60 SER HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 567, 574, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 59 SER HB2 73 GLU HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= 567, 754, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 42 TRP HZ3 59 SER HB2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 299, 567, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 59 SER HB2 72 LEU HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= 567, 737, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 59 SER HB2 72 LEU HG 4.53
&rst
ixpk= 0, nxpk= 0, iat= 567, 742, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 59 SER HB2 72 LEU QD2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 748, 749, 750,
&end
#
# 59 SER HB2 72 LEU QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 744, 745, 746,
&end
#
# 45 LEU QD1 59 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 344, 345, 346,
&end
#
# 59 SER HB3 73 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 568, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 SER QB 71 ALA QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 578, 579,
igr2= 729, 730, 731,
&end
#
# 94 GLY HN 95 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1106,1117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 PHE HN 95 SER HB3 5.20
&rst
ixpk= 0, nxpk= 0, iat=1062,1118, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 95 SER HB3 96 VAL HN 3.86
&rst
ixpk= 0, nxpk= 0, iat=1118,1124, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 95 SER HN 95 SER HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat=1113,1118, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 92 PHE HB2 95 SER HB3 5.41
&rst
ixpk= 0, nxpk= 0, iat=1066,1118, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 38 GLU QG 95 SER HB3 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 245, 246,
&end
#
# 95 SER HB3 97 ILE QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1146,1147,1148,
&end
#
# 95 SER HB3 96 VAL QG1 5.43
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=1130,1131,1132,
&end
#
# 92 PHE HB2 95 SER HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat=1066,1117, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 93 ARG QB 95 SER HB2 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1086,1087,
&end
#
# 95 SER HB2 97 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=1117,1150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 SER HB2 96 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1130,1131,1132,
&end
#
# 79 ILE HA 83 ALA HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 846, 913, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 79 ILE HA 81 VAL HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= 846, 882, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 79 ILE HA 82 GLU HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= 846, 900, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 79 ILE HA 80 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 846, 865, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ILE HA 82 GLU HG3 4.56
&rst
ixpk= 0, nxpk= 0, iat= 846, 906, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 79 ILE HA 82 GLU HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat= 846, 903, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 78 GLU HB3 79 ILE HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 834, 846, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 79 ILE HA 82 GLU HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 846, 902, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 79 ILE HA 79 ILE HG13 3.59
&rst
ixpk= 0, nxpk= 0, iat= 846, 855, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 79 ILE HA 79 ILE QG2 3.58
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 850, 851, 852,
&end
#
# 79 ILE HA 79 ILE QD1 4.09
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 857, 858, 859,
&end
#
# 96 VAL HA 97 ILE QG2 4.88
&rst
ixpk= 0, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1146,1147,1148,
&end
#
# 96 VAL HA 97 ILE HG12 4.24
&rst
ixpk= 0, nxpk= 0, iat=1126,1150, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 61 VAL HA 70 GLY HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= 587, 718, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 61 VAL HA 70 GLY QA 3.79
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 720, 721,
&end
#
# 61 VAL HA 61 VAL QG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 595, 596, 597,
&end
#
# 61 VAL HA 71 ALA HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 587, 725, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 31 ILE QD1 32 THR HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 132, 133, 134,
&end
#
# 31 ILE HA 32 THR HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= 121, 140, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 31 ILE HB 32 THR HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= 123, 140, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 31 ILE HG13 32 THR HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= 130, 140, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 56 THR HA 57 THR HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= 517, 531, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 57 THR HA 57 THR QG2 3.33
&rst
ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 535, 536, 537,
&end
#
# 53 SER HN 53 SER HB3 4.13
&rst
ixpk= 0, nxpk= 0, iat= 470, 475, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 53 SER HB3 54 LEU HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 475, 481, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 53 SER HB2 86 ARG HG2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 474, 964, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 53 SER HN 53 SER HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 470, 474, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 32 THR HA 71 ALA HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= 140, 725, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 32 THR HA 72 LEU HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 140, 735, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 90 ILE HA 97 ILE HN 5.28
&rst
ixpk= 0, nxpk= 0, iat=1030,1140, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 90 ILE HA 90 ILE HG13 3.82
&rst
ixpk= 0, nxpk= 0, iat=1030,1039, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 90 ILE HA 90 ILE HG12 4.10
&rst
ixpk= 0, nxpk= 0, iat=1030,1038, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 90 ILE HA 90 ILE QG2 3.44
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1034,1035,1036,
&end
#
# 90 ILE HA 92 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1030,1062, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 GLU HA 80 LEU HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= 831, 863, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 78 GLU HA 78 GLU HG3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 831, 837, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 78 GLU HA 81 VAL QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 892, 893, 894,
&end
#
# 35 ASN HN 69 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 191, 706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LYS QG 69 THR HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 176, 177,
&end
#
# 34 LYS HA 69 THR HA 3.93
&rst
ixpk= 0, nxpk= 0, iat= 171, 706, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 34 LYS HB2 69 THR HA 4.82
&rst
ixpk= 0, nxpk= 0, iat= 173, 706, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 89 ASN HN 98 THR HA 3.51
&rst
ixpk= 0, nxpk= 0, iat=1014,1161, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 90 ILE HN 98 THR HA 5.20
&rst
ixpk= 0, nxpk= 0, iat=1028,1161, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 98 THR HA 99 VAL HA 5.12
&rst
ixpk= 0, nxpk= 0, iat=1161,1175, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 89 ASN HA 98 THR HA 4.35
&rst
ixpk= 0, nxpk= 0, iat=1016,1161, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 89 ASN HB2 98 THR HA 4.77
&rst
ixpk= 0, nxpk= 0, iat=1018,1161, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 98 THR HA 99 VAL QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1183,1184,1185,
&end
#
# 42 TRP HA 61 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 284, 585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 TRP HA 44 ASP HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 284, 323, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 42 TRP HA 46 LYS HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 284, 354, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 42 TRP HA 45 LEU HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 284, 335, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 42 TRP HA 42 TRP HZ3 5.02
&rst
ixpk= 0, nxpk= 0, iat= 284, 299, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 42 TRP HA 45 LEU HB3 4.39
&rst
ixpk= 0, nxpk= 0, iat= 284, 340, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 42 TRP HA 45 LEU HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 284, 339, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 50 ARG HA 54 LEU HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 419, 485, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 42 TRP HA 61 VAL QG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 595, 596, 597,
&end
#
# 42 TRP HA 45 LEU QD1 5.31
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 344, 345, 346,
&end
#
# 46 LYS HA 50 ARG HD3 5.45
&rst
ixpk= 0, nxpk= 0, iat= 356, 428, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 40 CYS HA 41 SER HN 3.07
&rst
ixpk= 0, nxpk= 0, iat= 262, 271, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 40 CYS HA 41 SER HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= 262, 273, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 40 CYS HA 44 ASP HB3 4.40
&rst
ixpk= 0, nxpk= 0, iat= 262, 328, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 40 CYS HA 61 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 591, 592, 593,
&end
#
# 50 ARG HA 53 SER HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 419, 470, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 50 ARG HA 54 LEU HN 3.82
&rst
ixpk= 0, nxpk= 0, iat= 419, 481, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 50 ARG HA 50 ARG HG3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 419, 425, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 50 ARG HA 50 ARG HG2 3.63
&rst
ixpk= 0, nxpk= 0, iat= 419, 424, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 46 LYS HA 50 ARG HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 356, 417, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 46 LYS HA 49 ALA HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 356, 407, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 46 LYS HA 47 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 356, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 LYS HA 46 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 356, 365, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 LYS HA 46 LYS HD2 5.47
&rst
ixpk= 0, nxpk= 0, iat= 356, 364, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 46 LYS HA 50 ARG HG3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 356, 425, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 46 LYS HA 49 ALA QB 3.70
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 411, 412, 413,
&end
#
# 46 LYS HA 46 LYS HG2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 356, 361, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 40 CYS HA 44 ASP HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 262, 327, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 66 PHE HA 67 ASP HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 667, 685, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 PHE HA 66 PHE HD 3.81
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 673, 681,
&end
#
# 31 ILE HA 32 THR HN 3.22
&rst
ixpk= 0, nxpk= 0, iat= 121, 138, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 31 ILE HA 100 GLU HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 121,1189, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 31 ILE HA 102 ASP HB3 4.82
&rst
ixpk= 0, nxpk= 0, iat= 121,1233, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 31 ILE HA 102 ASP HB2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 121,1232, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 31 ILE HA 31 ILE QG2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 125, 126, 127,
&end
#
# 31 ILE HA 103 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 121,1240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 THR HA 58 PHE HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= 517, 543, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 56 THR HA 74 PHE HB3 5.35
&rst
ixpk= 0, nxpk= 0, iat= 517, 774, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 55 GLU HB3 56 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 505, 517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 THR HA 79 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 517, 854, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 THR HA 79 ILE QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 850, 851, 852,
&end
#
# 56 THR HA 79 ILE QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 857, 858, 859,
&end
#
# 81 VAL HN 82 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 882, 900, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 GLU HA 84 LEU HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 900, 923, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 53 SER HA 53 SER HB3 2.95
&rst
ixpk= 0, nxpk= 0, iat= 472, 475, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 82 GLU HA 86 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 967, 968,
&end
#
# 82 GLU HA 82 GLU HG3 3.87
&rst
ixpk= 0, nxpk= 0, iat= 900, 906, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 80 LEU HA 84 LEU HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 865, 923, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 80 LEU HA 82 GLU HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= 865, 898, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 74 PHE HB2 80 LEU HA 5.18
&rst
ixpk= 0, nxpk= 0, iat= 773, 865, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 51 GLU HA 51 GLU HG2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 443, 448, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 48 LEU QD2 51 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 401, 402, 403,
&end
#
# 32 THR HN 99 VAL HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= 138,1175, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 33 MET HN 99 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 152,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 THR HN 99 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1159,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 MET HA 99 VAL HA 3.73
&rst
ixpk= 0, nxpk= 0, iat= 154,1175, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 33 MET HB2 99 VAL HA 5.42
&rst
ixpk= 0, nxpk= 0, iat= 156,1175, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 99 VAL HA 99 VAL QG1 3.67
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1179,1180,1181,
&end
#
# 86 ARG HA 88 ASN HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 959,1000, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 86 ARG HA 87 LEU HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= 959, 983, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 86 ARG HA 86 ARG HG3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 959, 965, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 58 PHE HA 59 SER HN 3.29
&rst
ixpk= 0, nxpk= 0, iat= 545, 563, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 85 GLU HA 88 ASN HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat= 944,1005, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 85 GLU HA 85 GLU HG3 3.79
&rst
ixpk= 0, nxpk= 0, iat= 944, 950, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 85 GLU HA 85 GLU QB 2.93
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 946, 947,
&end
#
# 84 LEU HB2 85 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 927, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 GLU HA 81 VAL HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 816, 882, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 29 TYR HD 77 GLU HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 82, 91,
&end
#
# 29 TYR HE 77 GLU HA 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 84, 89,
&end
#
# 76 SER HB3 77 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 808, 816, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 GLU HA 80 LEU HB3 3.65
&rst
ixpk= 0, nxpk= 0, iat= 816, 868, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 77 GLU HA 77 GLU HG2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 816, 821, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 77 GLU HA 80 LEU HB2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 816, 867, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 77 GLU HA 80 LEU QD2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 876, 877, 878,
&end
#
# 101 ARG HA 103 ASP HN 5.31
&rst
ixpk= 0, nxpk= 0, iat=1206,1240, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 100 GLU HN 101 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1189,1206, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE HA 101 ARG HA 3.64
&rst
ixpk= 0, nxpk= 0, iat= 121,1206, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 101 ARG HA 101 ARG HD2 5.46
&rst
ixpk= 0, nxpk= 0, iat=1206,1214, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 101 ARG HA 102 ASP HB3 4.82
&rst
ixpk= 0, nxpk= 0, iat=1206,1233, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 31 ILE QG2 101 ARG HA 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 125, 126, 127,
&end
#
# 84 LEU QD2 101 ARG HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 936, 937, 938,
&end
#
# 101 ARG HA 102 ASP HB2 5.11
&rst
ixpk= 0, nxpk= 0, iat=1206,1232, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 84 LEU HN 85 GLU HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 923, 944, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 38 GLU HA 40 CYS HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 240, 260, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 38 GLU HA 39 GLY HA2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 240, 255, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 46 LYS HN 47 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 354, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ASP HA 48 LEU HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= 378, 390, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 47 ASP HA 50 ARG HD2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 378, 427, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 47 ASP HA 50 ARG QB 3.42
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 421, 422,
&end
#
# 47 ASP HA 49 ALA QB 4.88
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 411, 412, 413,
&end
#
# 44 ASP HA 45 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 325, 342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LEU HA 51 GLU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 390, 441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 LEU HA 52 ASN HND2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 390, 466, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 47 ASP HB3 48 LEU HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= 381, 390, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 48 LEU HA 51 GLU HG2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 390, 448, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 48 LEU HA 51 GLU HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 390, 446, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 48 LEU HA 48 LEU QD2 3.49
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 401, 402, 403,
&end
#
# 48 LEU HA 48 LEU QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 397, 398, 399,
&end
#
# 48 LEU HA 50 ARG HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= 390, 417, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 47 ASP HN 48 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 376, 390, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LEU HA 52 ASN HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 390, 456, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 48 LEU HA 52 ASN HND1 4.89
&rst
ixpk= 0, nxpk= 0, iat= 390, 465, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 47 ASP HB2 48 LEU HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= 380, 390, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 84 LEU HA 86 ARG HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 925, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 LEU HA 87 LEU HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= 925, 981, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 84 LEU HA 88 ASN HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 925,1000, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 84 LEU HA 84 LEU HG 3.96
&rst
ixpk= 0, nxpk= 0, iat= 925, 930, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 84 LEU HA 84 LEU QD1 3.82
&rst
ixpk= 0, nxpk= 0, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 932, 933, 934,
&end
#
# 84 LEU HA 84 LEU QD2 3.12
&rst
ixpk= 0, nxpk= 0, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 936, 937, 938,
&end
#
# 84 LEU HA 85 GLU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 946, 947,
&end
#
# 38 GLU HA 40 CYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 240, 262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLU HA 39 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 240, 256, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ASP HA 50 ARG HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 378, 417, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 46 LYS HD3 47 ASP HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= 365, 378, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 47 ASP HA 50 ARG HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 378, 425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ASP HA 92 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 325,1074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ASP HA 47 ASP HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 325, 376, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 44 ASP HA 48 LEU HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 325, 388, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 44 ASP HA 47 ASP HB3 3.63
&rst
ixpk= 0, nxpk= 0, iat= 325, 381, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 45 LEU HA 47 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 337, 376, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 LEU HA 48 LEU HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 337, 388, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 45 LEU HA 47 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 337, 381, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 LEU HA 45 LEU HG 3.69
&rst
ixpk= 0, nxpk= 0, iat= 337, 342, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 45 LEU HA 45 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 344, 345, 346,
&end
#
# 45 LEU HA 48 LEU QD1 4.49
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 397, 398, 399,
&end
#
# 44 ASP HA 45 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 325, 337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLU HA 55 GLU HG3 3.94
&rst
ixpk= 0, nxpk= 0, iat= 502, 508, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 55 GLU HA 79 ILE QD1 5.37
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 857, 858, 859,
&end
#
# 92 PHE HD 93 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1070,1078,
&end
#
# 93 ARG HA 95 SER HN 5.27
&rst
ixpk= 0, nxpk= 0, iat=1084,1113, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 92 PHE HA 93 ARG HA 4.53
&rst
ixpk= 0, nxpk= 0, iat=1064,1084, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 93 ARG HA 94 GLY HA3 5.48
&rst
ixpk= 0, nxpk= 0, iat=1084,1109, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 91 GLU HG2 93 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1054,1084, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 SER HA 71 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 565, 725, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 SER HA 73 GLU HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 565, 754, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 41 SER HA 44 ASP HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 273, 323, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 41 SER HA 45 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 273, 335, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 SER HA 42 TRP HB2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 273, 286, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 41 SER HA 61 VAL HB 4.23
&rst
ixpk= 0, nxpk= 0, iat= 273, 589, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 41 SER HA 61 VAL QG1 4.27
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 591, 592, 593,
&end
#
# 41 SER HA 61 VAL QG2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 595, 596, 597,
&end
#
# 59 SER HA 72 LEU HA 3.66
&rst
ixpk= 0, nxpk= 0, iat= 565, 737, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 59 SER HA 72 LEU QD1 3.89
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 744, 745, 746,
&end
#
# 59 SER HA 72 LEU HG 5.45
&rst
ixpk= 0, nxpk= 0, iat= 565, 742, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 76 SER HA 77 GLU HB3 4.73
&rst
ixpk= 0, nxpk= 0, iat= 805, 819, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 49 ALA HA 51 GLU HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 409, 441, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 49 ALA HA 52 ASN HND2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 409, 466, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 49 ALA HA 52 ASN HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 409, 456, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 49 ALA HA 52 ASN HND1 5.45
&rst
ixpk= 0, nxpk= 0, iat= 409, 465, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 48 LEU HA 49 ALA HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= 390, 409, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 49 ALA HA 54 LEU HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat= 409, 486, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 49 ALA HA 54 LEU HB2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 409, 485, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 49 ALA HA 87 LEU QD1 4.22
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 990, 991, 992,
&end
#
# 48 LEU QD1 49 ALA HA 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 397, 398, 399,
&end
#
# 92 PHE HA 93 ARG QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1086,1087,
&end
#
# 76 SER HA 78 GLU HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= 805, 829, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 76 SER HA 77 GLU HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= 805, 816, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 76 SER HA 77 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 805, 821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 LYS HB2 76 SER HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= 32, 805, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 26 ALA QB 27 LYS HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 30, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 22, 23, 24,
&end
#
# 27 LYS HA 27 LYS QG 3.72
&rst
ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 35, 36,
&end
#
# 57 THR HN 74 PHE HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= 529, 771, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 58 PHE HD 74 PHE HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 551, 559,
&end
#
# 74 PHE HA 79 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 771, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 THR QG2 74 PHE HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 535, 536, 537,
&end
#
# 92 PHE HA 92 PHE HD 3.68
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1070,1078,
&end
#
# 48 LEU HG 92 PHE HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= 395,1064, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 83 ALA HA 87 LEU HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 915, 981, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 83 ALA HA 85 GLU HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 915, 942, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 83 ALA HA 86 ARG HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= 915, 959, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 82 GLU HB3 83 ALA HA 5.48
&rst
ixpk= 0, nxpk= 0, iat= 903, 915, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 83 ALA HA 86 ARG HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat= 915, 962, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 83 ALA HA 86 ARG HB2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 915, 961, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 83 ALA HA 87 LEU HG 4.09
&rst
ixpk= 0, nxpk= 0, iat= 915, 988, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
# 040507 4.09-4.60, 4.59-5.10
#
# 54 LEU QD1 83 ALA HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 490, 491, 492,
&end
#
# 83 ALA HA 87 LEU QD1 5.01
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 990, 991, 992,
&end
#
# 34 LYS HA 34 LYS QG 3.69
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 176, 177,
&end
#
# 30 ARG HA 74 PHE HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 97, 769, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 30 ARG HA 30 ARG QD 5.18
&rst
ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 105, 106,
&end
#
# 29 TYR HB2 30 ARG HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 78, 97, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 30 ARG HA 73 GLU HB2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 97, 758, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 30 ARG HA 31 ILE QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 125, 126, 127,
&end
#
# 30 ARG HA 72 LEU HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= 97, 735, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 89 ASN HA 98 THR HB 5.35
&rst
ixpk= 0, nxpk= 0, iat=1016,1163, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 99 VAL HA 100 GLU HA 4.88
&rst
ixpk= 0, nxpk= 0, iat=1175,1191, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 84 LEU HB2 100 GLU HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= 927,1191, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 84 LEU QD2 100 GLU HA 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 936, 937, 938,
&end
#
# 88 ASN HA 89 ASN HN 3.16
&rst
ixpk= 0, nxpk= 0, iat=1002,1014, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 88 ASN HA 99 VAL HN 3.96
&rst
ixpk= 0, nxpk= 0, iat=1002,1173, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 88 ASN HA 88 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1002,1010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 ASN HA 98 THR HA 3.83
&rst
ixpk= 0, nxpk= 0, iat=1002,1161, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 87 LEU HB3 88 ASN HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 986,1002, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 88 ASN HA 98 THR QG2 5.15
&rst
ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1165,1166,1167,
&end
#
# 88 ASN HA 99 VAL QG2 3.67
&rst
ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1183,1184,1185,
&end
#
# 88 ASN HA 88 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1002,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 ASN HA 89 ASN HA 4.27
&rst
ixpk= 0, nxpk= 0, iat=1002,1016, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 87 LEU HA 90 ILE QG2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1034,1035,1036,
&end
#
# 87 LEU HA 87 LEU QD1 3.46
&rst
ixpk= 0, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 990, 991, 992,
&end
#
# 28 ARG HA 29 TYR HD 4.69
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 82, 91,
&end
#
# 28 ARG HA 29 TYR HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= 52, 79, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 28 ARG HA 28 ARG QD 4.32
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 60, 61,
&end
#
# 31 ILE HN 73 GLU HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= 119, 756, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 58 PHE HD 73 GLU HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 551, 559,
&end
#
# 30 ARG HA 73 GLU HA 3.79
&rst
ixpk= 0, nxpk= 0, iat= 97, 756, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 30 ARG HB3 73 GLU HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= 100, 756, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 72 LEU HB2 73 GLU HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= 739, 756, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 33 MET HA 98 THR HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= 154,1159, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 33 MET HA 33 MET HG2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 154, 159, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 33 MET HA 34 LYS QG 5.24
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 176, 177,
&end
#
# 33 MET HA 99 VAL QG1 3.95
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1179,1180,1181,
&end
#
# 86 ARG HN 87 LEU HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= 957, 983, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 35 ASN HA 98 THR HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 193,1159, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 72 LEU HA 72 LEU QD1 3.55
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 744, 745, 746,
&end
#
# 65 ASP HA 66 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 673, 681,
&end
#
# 72 LEU HA 72 LEU HG 4.17
&rst
ixpk= 0, nxpk= 0, iat= 737, 742, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 102 ASP HA 103 ASP HN 3.55
&rst
ixpk= 0, nxpk= 0, iat=1230,1240, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 70 GLY HN 71 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 718, 727, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 LEU QD1 71 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 344, 345, 346,
&end
#
# 31 ILE HN 71 ALA HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= 119, 727, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 33 MET HN 71 ALA HA 4.11
&rst
ixpk= 0, nxpk= 0, iat= 152, 727, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 31 ILE HA 71 ALA HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 121, 727, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 THR HA 71 ALA HA 3.68
&rst
ixpk= 0, nxpk= 0, iat= 140, 727, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 32 THR HB 71 ALA HA 5.46
&rst
ixpk= 0, nxpk= 0, iat= 142, 727, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 70 GLY QA 71 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 720, 721,
&end
#
# 33 MET HG3 71 ALA HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= 160, 727, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 31 ILE HB 71 ALA HA 5.42
&rst
ixpk= 0, nxpk= 0, iat= 123, 727, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 31 ILE HG13 71 ALA HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= 130, 727, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 31 ILE QD1 71 ALA HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 132, 133, 134,
&end
#
# 59 SER HA 71 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 565, 727, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 ARG HB2 104 ASN HA 4.98
&rst
ixpk= 0, nxpk= 0, iat=1208,1254, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 103 ASP HA 104 ASN HA 4.91
&rst
ixpk= 0, nxpk= 0, iat=1242,1254, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 31 ILE HN 72 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 119, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TYR HE 72 LEU HB3 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 740, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 84, 89,
&end
#
# 71 ALA HA 72 LEU HB3 5.45
&rst
ixpk= 0, nxpk= 0, iat= 727, 740, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 31 ILE HG13 72 LEU HB3 5.06
&rst
ixpk= 0, nxpk= 0, iat= 130, 740, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 54 LEU QD1 72 LEU HB2 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 490, 491, 492,
&end
#
# 29 TYR HE 72 LEU HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 739, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 84, 89,
&end
#
# 59 SER HA 72 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 565, 739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE HG13 72 LEU HB2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 130, 739, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 67 ASP HN 68 GLY HA3 5.36
&rst
ixpk= 0, nxpk= 0, iat= 685, 700, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 66 PHE HE 68 GLY HA3 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 675, 679,
&end
#
# 68 GLY HA3 69 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 710, 711, 712,
&end
#
# 62 ASN HN 68 GLY HA3 4.89
&rst
ixpk= 0, nxpk= 0, iat= 601, 700, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 62 ASN HA 68 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 603, 700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 ASP HB3 68 GLY HA3 5.27
&rst
ixpk= 0, nxpk= 0, iat= 658, 700, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 62 ASN HN 68 GLY HA2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 601, 699, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 67 ASP HN 68 GLY HA2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 685, 699, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 68 GLY HA2 69 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 710, 711, 712,
&end
#
# 61 VAL QG1 68 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 591, 592, 593,
&end
#
# 60 SER HN 70 GLY QA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 720, 721,
&end
#
# 33 MET HB3 70 GLY QA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 720, 721,
&end
#
# 91 GLU HG3 94 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1055,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 GLU HG2 94 GLY HA3 4.93
&rst
ixpk= 0, nxpk= 0, iat=1054,1109, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 38 GLU QB 39 GLY HA3 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 242, 243,
&end
#
# 30 ARG QD 31 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 105, 106,
igr2= 132, 133, 134,
&end
#
# 101 ARG HN 101 ARG HD2 5.33
&rst
ixpk= 0, nxpk= 0, iat=1204,1214, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 101 ARG HB3 101 ARG HD2 4.06
&rst
ixpk= 0, nxpk= 0, iat=1209,1214, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 84 LEU QD2 101 ARG HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 936, 937, 938,
&end
#
# 86 ARG HN 86 ARG QD 5.07
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 967, 968,
&end
#
# 82 GLU HG3 86 ARG QD 4.91
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 967, 968,
&end
#
# 86 ARG HB2 86 ARG QD 3.93
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 967, 968,
&end
#
# 86 ARG QD 87 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 967, 968,
igr2= 990, 991, 992,
&end
#
# 86 ARG HA 86 ARG QD 4.56
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 967, 968,
&end
#
# 85 GLU QB 86 ARG QD 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 946, 947,
igr2= 967, 968,
&end
#
# 83 ALA QB 86 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 917, 918, 919,
igr2= 967, 968,
&end
#
# 50 ARG HD3 51 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 428, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ASP HA 50 ARG HD3 5.12
&rst
ixpk= 0, nxpk= 0, iat= 378, 428, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 50 ARG QB 50 ARG HD3 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 421, 422,
&end
#
# 50 ARG QB 50 ARG HD2 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 421, 422,
&end
#
# 25 PRO QD 28 ARG QD 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 5, 6,
igr2= 60, 61,
&end
#
# 25 PRO HA 28 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 14, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 60, 61,
&end
#
# 54 LEU HB3 55 GLU HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 486, 500, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 54 LEU HN 54 LEU HB3 4.15
&rst
ixpk= 0, nxpk= 0, iat= 481, 486, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 49 ALA QB 54 LEU HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 411, 412, 413,
&end
#
# 49 ALA QB 54 LEU HB2 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 411, 412, 413,
&end
#
# 50 ARG HN 50 ARG HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 417, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 PHE HB3 72 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 744, 745, 746,
&end
#
# 86 ARG HN 87 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 957, 986, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ALA HA 87 LEU HB3 5.49
&rst
ixpk= 0, nxpk= 0, iat= 915, 986, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 87 LEU HB3 99 VAL QG1 4.18
&rst
ixpk= 0, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1179,1180,1181,
&end
#
# 48 LEU QD1 87 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 397, 398, 399,
&end
#
# 87 LEU HB2 88 ASN HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= 985,1000, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 87 LEU HB2 87 LEU QD2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 994, 995, 996,
&end
#
# 27 LYS QE 29 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 41, 42,
igr2= 82, 91,
&end
#
# 27 LYS QE 77 GLU HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 41, 42,
&end
#
# 27 LYS QE 29 TYR HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 79, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 41, 42,
&end
#
# 27 LYS HB2 27 LYS QE 4.40
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 41, 42,
&end
#
# 27 LYS QG 27 LYS QE 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 35, 36,
igr2= 41, 42,
&end
#
# 34 LYS HA 34 LYS QE 5.45
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 182, 183,
&end
#
# 34 LYS QG 34 LYS QE 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 176, 177,
igr2= 182, 183,
&end
#
# 58 PHE HB2 73 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 547, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 PHE HB3 80 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 774, 863, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TYR HD 74 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 82, 91,
&end
#
# 74 PHE HB3 76 SER HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 774, 803, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 73 GLU QG 74 PHE HB3 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 761, 762,
&end
#
# 74 PHE HB3 79 ILE HB 4.16
&rst
ixpk= 0, nxpk= 0, iat= 774, 848, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 74 PHE HB3 79 ILE QG2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 850, 851, 852,
&end
#
# 74 PHE HB3 79 ILE QD1 4.74
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 857, 858, 859,
&end
#
# 103 ASP HB3 104 ASN HN 5.45
&rst
ixpk= 0, nxpk= 0, iat=1245,1252, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 29 TYR HD 74 PHE HB2 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 82, 91,
&end
#
# 74 PHE HB2 79 ILE HB 4.15
&rst
ixpk= 0, nxpk= 0, iat= 773, 848, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 74 PHE HB2 79 ILE QG2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 850, 851, 852,
&end
#
# 74 PHE HB2 79 ILE QD1 4.92
&rst
ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 857, 858, 859,
&end
#
# 84 LEU HN 84 LEU HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 923, 928, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 84 LEU HB3 85 GLU HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= 928, 942, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 84 LEU HB3 85 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 928, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 THR HN 102 ASP HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat= 138,1233, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 102 ASP HN 102 ASP HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat=1228,1233, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 32 THR HB 102 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 142,1233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ARG HB3 102 ASP HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat= 100,1233, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 32 THR QG2 102 ASP HB3 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 144, 145, 146,
&end
#
# 31 ILE QG2 102 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 125, 126, 127,
&end
#
# 32 THR HB 102 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 142,1232, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE QG2 102 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 125, 126, 127,
&end
#
# 84 LEU HB3 84 LEU QD1 3.72
&rst
ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 932, 933, 934,
&end
#
# 44 ASP HN 45 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 323, 340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 LEU HB3 46 LYS HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 340, 354, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 45 LEU HB3 61 VAL QG2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 595, 596, 597,
&end
#
# 31 ILE QG2 80 LEU HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 125, 126, 127,
&end
#
# 84 LEU HB2 84 LEU QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 932, 933, 934,
&end
#
# 44 ASP HB3 46 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 328, 354, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ASP HB3 92 PHE HZ 4.93
&rst
ixpk= 0, nxpk= 0, iat= 328,1074, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 40 CYS HB2 44 ASP HB3 5.35
&rst
ixpk= 0, nxpk= 0, iat= 264, 328, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 44 ASP HB3 45 LEU HG 5.49
&rst
ixpk= 0, nxpk= 0, iat= 328, 342, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 92 PHE HN 92 PHE HB3 4.18
&rst
ixpk= 0, nxpk= 0, iat=1062,1067, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 92 PHE HB3 93 ARG HN 5.27
&rst
ixpk= 0, nxpk= 0, iat=1067,1082, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 92 PHE HB3 97 ILE QG2 4.71
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1146,1147,1148,
&end
#
# 90 ILE QD1 92 PHE HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1041,1042,1043,
&end
#
# 48 LEU QD1 92 PHE HB3 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 397, 398, 399,
&end
#
# 92 PHE HB2 93 ARG HN 5.17
&rst
ixpk= 0, nxpk= 0, iat=1066,1082, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 92 PHE HB2 96 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1130,1131,1132,
&end
#
# 92 PHE HB2 97 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1066,1144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 SER HN 44 ASP HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 271, 327, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 44 ASP HB2 92 PHE HE 4.47
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1072,1076,
&end
#
# 44 ASP HB2 92 PHE HZ 4.47
&rst
ixpk= 0, nxpk= 0, iat= 327,1074, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 44 ASP HB2 45 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 327, 342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 ASP HN 102 ASP HB2 4.12
&rst
ixpk= 0, nxpk= 0, iat=1228,1232, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 102 ASP HB2 103 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1232,1240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 LEU HB3 81 VAL HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 868, 882, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 77 GLU HB3 80 LEU HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 819, 868, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 79 ILE HN 80 LEU HB3 5.45
&rst
ixpk= 0, nxpk= 0, iat= 844, 868, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 47 ASP HN 48 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 376, 393, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LEU HB3 92 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1072,1076,
&end
#
# 45 LEU HA 48 LEU HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 337, 393, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 48 LEU HB3 97 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1153,1154,1155,
&end
#
# 48 LEU HB3 48 LEU QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 397, 398, 399,
&end
#
# 80 LEU HB2 81 VAL HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 867, 882, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 29 TYR HD 80 LEU HB2 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 82, 91,
&end
#
# 74 PHE HB2 80 LEU HB2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 773, 867, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 80 LEU HB2 80 LEU QD2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 876, 877, 878,
&end
#
# 48 LEU HB2 92 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 392,1074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 LEU HA 48 LEU HB2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 337, 392, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 48 LEU HB2 97 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1153,1154,1155,
&end
#
# 47 ASP HB3 48 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 381, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE HB 80 LEU QD1 5.04
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 872, 873, 874,
&end
#
# 31 ILE HB 31 ILE QD1 3.42
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 132, 133, 134,
&end
#
# 31 ILE HB 102 ASP HN 5.22
&rst
ixpk= 0, nxpk= 0, iat= 123,1228, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 31 ILE HB 99 VAL HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= 123,1175, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 31 ILE HB 101 ARG HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= 123,1206, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 31 ILE HB 32 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 123, 142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 ASP HB3 68 GLY HA2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 658, 699, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 64 ARG HA 65 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 631, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 ASP HB2 68 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 657, 700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 ASP HB2 68 GLY HA2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 657, 699, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 49 ALA HA 52 ASN HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat= 409, 461, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 52 ASN HB3 86 ARG HG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 461, 964, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 49 ALA QB 52 ASN HB3 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 411, 412, 413,
&end
#
# 52 ASN HB3 87 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 994, 995, 996,
&end
#
# 52 ASN HB3 87 LEU QD1 4.62
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 990, 991, 992,
&end
#
# 47 ASP HN 47 ASP HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat= 376, 381, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 46 LYS HN 47 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 354, 381, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ASP HN 47 ASP HB2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 376, 380, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 47 ASP HB2 48 LEU HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= 380, 388, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 90 ILE HB 97 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1032,1140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 ILE HB 91 GLU HN 3.55
&rst
ixpk= 0, nxpk= 0, iat=1032,1047, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 90 ILE HN 90 ILE HB 3.96
&rst
ixpk= 0, nxpk= 0, iat=1028,1032, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 87 LEU QD1 90 ILE HB 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 990, 991, 992,
&end
#
# 34 LYS HN 97 ILE HB 5.31
&rst
ixpk= 0, nxpk= 0, iat= 169,1144, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 58 PHE HE 73 GLU QG 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 553, 557,
igr2= 761, 762,
&end
#
# 35 ASN HB2 97 ILE HB 5.02
&rst
ixpk= 0, nxpk= 0, iat= 195,1144, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 33 MET HB3 97 ILE HB 4.37
&rst
ixpk= 0, nxpk= 0, iat= 157,1144, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 45 LEU QD2 97 ILE HB 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 348, 349, 350,
&end
#
# 97 ILE HB 99 VAL QG1 4.09
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1179,1180,1181,
&end
#
# 97 ILE HB 97 ILE QD1 3.93
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1153,1154,1155,
&end
#
# 48 LEU QD1 97 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 397, 398, 399,
&end
#
# 88 ASN HB3 89 ASN HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1005,1014, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 87 LEU HN 88 ASN HB3 4.90
&rst
ixpk= 0, nxpk= 0, iat= 981,1005, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 88 ASN HN 88 ASN HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat=1000,1005, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 88 ASN HB3 99 VAL QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1183,1184,1185,
&end
#
# 85 GLU HA 88 ASN HB2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 944,1004, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 88 ASN HB2 89 ASN HN 4.88
&rst
ixpk= 0, nxpk= 0, iat=1004,1014, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 84 LEU HA 88 ASN HB2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 925,1004, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 88 ASN HB2 99 VAL QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1183,1184,1185,
&end
#
# 29 TYR HB2 104 ASN HB2 5.10
&rst
ixpk= 0, nxpk= 0, iat= 78,1256, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 78 GLU HN 79 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 829, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ILE HN 79 ILE HB 3.81
&rst
ixpk= 0, nxpk= 0, iat= 844, 848, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 79 ILE HB 80 LEU HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 848, 863, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 79 ILE HB 79 ILE QD1 4.02
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 857, 858, 859,
&end
#
# 35 ASN HB3 98 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 196,1163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ASN HB3 97 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 196,1144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ASN HB3 98 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1165,1166,1167,
&end
#
# 35 ASN HB3 97 ILE QG2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1146,1147,1148,
&end
#
# 35 ASN HB3 96 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1134,1135,1136,
&end
#
# 34 LYS HB3 35 ASN HB2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 174, 195, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 34 LYS QG 35 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 176, 177,
&end
#
# 35 ASN HB2 97 ILE QG2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1146,1147,1148,
&end
#
# 35 ASN HB2 96 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1134,1135,1136,
&end
#
# 61 VAL QG1 62 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 606, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 591, 592, 593,
&end
#
# 61 VAL HA 62 ASN HB2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 587, 605, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 61 VAL QG1 62 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 591, 592, 593,
&end
#
# 61 VAL QG2 62 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 595, 596, 597,
&end
#
# 29 TYR HB3 80 LEU HB3 4.91
&rst
ixpk= 0, nxpk= 0, iat= 79, 868, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 29 TYR HB3 80 LEU HB2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 79, 867, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 89 ASN HB2 90 ILE HN 4.66
&rst
ixpk= 0, nxpk= 0, iat=1018,1028, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 29 TYR HB2 77 GLU HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= 78, 816, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 29 TYR HB2 80 LEU HB3 4.67
&rst
ixpk= 0, nxpk= 0, iat= 78, 868, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 29 TYR HB2 80 LEU HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 78, 867, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 91 GLU HG3 96 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1134,1135,1136,
&end
#
# 91 GLU HG2 96 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1134,1135,1136,
&end
#
# 88 ASN HND2 89 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1010,1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 ASN HA 89 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1002,1019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 ASN HB3 90 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1034,1035,1036,
&end
#
# 89 ASN HB3 96 VAL QG2 4.71
&rst
ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1134,1135,1136,
&end
#
# 89 ASN HB2 96 VAL QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1134,1135,1136,
&end
#
# 91 GLU HG3 92 PHE HN 4.57
&rst
ixpk= 0, nxpk= 0, iat=1055,1062, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 91 GLU HG3 94 GLY HN 5.29
&rst
ixpk= 0, nxpk= 0, iat=1055,1106, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 91 GLU HN 91 GLU HG3 4.52
&rst
ixpk= 0, nxpk= 0, iat=1047,1055, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 91 GLU HG3 95 SER HN 5.12
&rst
ixpk= 0, nxpk= 0, iat=1055,1113, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 91 GLU HG3 94 GLY HA2 5.14
&rst
ixpk= 0, nxpk= 0, iat=1055,1108, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 91 GLU HG3 96 VAL QG1 4.33
&rst
ixpk= 0, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1130,1131,1132,
&end
#
# 91 GLU HN 91 GLU HG2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1047,1054, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 91 GLU HG2 96 VAL HA 5.08
&rst
ixpk= 0, nxpk= 0, iat=1054,1126, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 91 GLU HG2 96 VAL QG1 4.44
&rst
ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1130,1131,1132,
&end
#
# 51 GLU HN 51 GLU HG3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 441, 449, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 50 ARG HN 51 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 417, 449, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 GLN HN 43 GLN QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 313, 314,
&end
#
# 51 GLU HG3 52 ASN HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= 449, 456, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 51 GLU HA 51 GLU HG3 3.96
&rst
ixpk= 0, nxpk= 0, iat= 443, 449, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 48 LEU HA 51 GLU HG3 4.87
&rst
ixpk= 0, nxpk= 0, iat= 390, 449, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 48 LEU QD2 51 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 401, 402, 403,
&end
#
# 51 GLU HG2 52 ASN HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 448, 456, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 48 LEU HN 51 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 388, 448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLU HG2 79 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 850, 851, 852,
&end
#
# 55 GLU HN 55 GLU HG3 4.60
&rst
ixpk= 0, nxpk= 0, iat= 500, 508, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 55 GLU HG3 56 THR HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 508, 515, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 55 GLU HN 55 GLU HG2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 500, 507, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 55 GLU HG2 79 ILE QD1 5.29
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 857, 858, 859,
&end
#
# 55 GLU HG2 56 THR HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 507, 515, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 82 GLU HG2 83 ALA HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 905, 913, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 79 ILE HA 82 GLU HG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 846, 905, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 82 GLU HN 82 GLU HG2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 898, 905, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 82 GLU HA 82 GLU HG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 900, 905, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 79 ILE QG2 82 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 850, 851, 852,
&end
#
# 78 GLU HN 78 GLU HG3 4.54
&rst
ixpk= 0, nxpk= 0, iat= 829, 837, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 77 GLU HG3 81 VAL HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= 822, 882, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 77 GLU HN 77 GLU HG3 5.08
&rst
ixpk= 0, nxpk= 0, iat= 814, 822, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 77 GLU HA 77 GLU HG3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 816, 822, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 77 GLU HG3 81 VAL QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 892, 893, 894,
&end
#
# 100 GLU QG 101 ARG HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1196,1197,
&end
#
# 85 GLU HG3 86 ARG HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 950, 957, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 100 GLU HN 100 GLU QG 4.73
&rst
ixpk= 0, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1196,1197,
&end
#
# 85 GLU HN 85 GLU HG3 4.37
&rst
ixpk= 0, nxpk= 0, iat= 942, 950, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 99 VAL HA 100 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1196,1197,
&end
#
# 85 GLU QB 85 GLU HG3 2.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,
igr1= 946, 947,
&end
#
# 98 THR QG2 100 GLU QG 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=1165,1166,1167,
igr2=1196,1197,
&end
#
# 84 LEU QD1 85 GLU HG3 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 932, 933, 934,
&end
#
# 29 TYR HD 77 GLU HG2 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 82, 91,
&end
#
# 77 GLU HG2 78 GLU HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 821, 829, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 77 GLU HG2 78 GLU HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= 821, 831, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 42 TRP HN 61 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 282, 589, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 TRP HB2 61 VAL HB 5.44
&rst
ixpk= 0, nxpk= 0, iat= 286, 589, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 32 THR HA 33 MET HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 140, 157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LYS HB3 70 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 174, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LYS HB3 35 ASN HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 174, 191, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 33 MET HA 34 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 154, 174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LYS HB3 98 THR HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 174,1159, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 34 LYS HB3 34 LYS QE 4.96
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 182, 183,
&end
#
# 34 LYS HB2 35 ASN HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 173, 191, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 34 LYS HB2 35 ASN HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 173, 193, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 34 LYS HB2 34 LYS QE 4.96
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 182, 183,
&end
#
# 33 MET HB2 34 LYS HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= 156, 169, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 33 MET HB2 70 GLY QA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 720, 721,
&end
#
# 33 MET HB2 97 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1146,1147,1148,
&end
#
# 33 MET HB2 45 LEU QD2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 348, 349, 350,
&end
#
# 33 MET HB2 99 VAL QG1 4.44
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1179,1180,1181,
&end
#
# 33 MET HB2 45 LEU QD1 5.47
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 344, 345, 346,
&end
#
# 32 THR HN 99 VAL HB 5.15
&rst
ixpk= 0, nxpk= 0, iat= 138,1177, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 99 VAL HB 100 GLU HN 3.78
&rst
ixpk= 0, nxpk= 0, iat=1177,1189, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 88 ASN HA 99 VAL HB 5.02
&rst
ixpk= 0, nxpk= 0, iat=1002,1177, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 84 LEU HA 99 VAL HB 5.24
&rst
ixpk= 0, nxpk= 0, iat= 925,1177, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 30 ARG HB3 31 ILE HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= 100, 119, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 30 ARG HB2 31 ILE HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= 99, 119, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 30 ARG HB2 73 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 99, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TYR HA 30 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 76, 99, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ARG HB2 102 ASP HB3 5.28
&rst
ixpk= 0, nxpk= 0, iat= 99,1233, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 84 LEU QD2 100 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 936, 937, 938,
&end
#
# 100 GLU HB3 101 ARG HN 4.37
&rst
ixpk= 0, nxpk= 0, iat=1194,1204, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 99 VAL HA 100 GLU HB3 5.40
&rst
ixpk= 0, nxpk= 0, iat=1175,1194, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 32 THR HB 100 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 142,1194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 THR QG2 100 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1165,1166,1167,
&end
#
# 100 GLU HB2 101 ARG HN 4.25
&rst
ixpk= 0, nxpk= 0, iat=1193,1204, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 99 VAL HA 100 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1175,1193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 THR HB 100 GLU HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 142,1193, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 100 GLU HB2 101 ARG QG 5.43
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1211,1212,
&end
#
# 98 THR QG2 100 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1193, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1165,1166,1167,
&end
#
# 84 LEU QD1 100 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1193, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 932, 933, 934,
&end
#
# 84 LEU QD2 100 GLU HB2 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1193, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 936, 937, 938,
&end
#
# 27 LYS HB3 28 ARG HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 33, 50, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 27 LYS HB3 27 LYS QE 5.20
&rst
ixpk= 0, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 41, 42,
&end
#
# 27 LYS HB2 28 ARG HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= 32, 50, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 27 LYS HB2 29 TYR HE 5.39
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 84, 89,
&end
#
# 27 LYS HB2 28 ARG HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= 32, 52, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 28 ARG HB3 29 TYR HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 55, 74, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 27 LYS HA 28 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 30, 55, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ARG HB2 29 TYR HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 54, 74, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 38 GLU QG 95 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 245, 246,
&end
#
# 44 ASP HN 46 LYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 358, 359,
&end
#
# 86 ARG HB3 87 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 990, 991, 992,
&end
#
# 86 ARG HN 86 ARG HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat= 957, 962, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 86 ARG HB3 87 LEU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 962, 981, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 LEU HN 86 ARG HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat= 923, 962, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
# 040507 5.17-5.70, 5.67-6.20
#
# 86 ARG HN 86 ARG HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 957, 961, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 86 ARG HB2 87 LEU HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 961, 981, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 52 ASN HB3 86 ARG HB2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 461, 961, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 83 ALA QB 86 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 917, 918, 919,
&end
#
# 86 ARG HB2 87 LEU QD1 5.48
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 990, 991, 992,
&end
#
# 85 GLU HN 86 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 942, 961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 MET HG3 34 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 160, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 MET HN 33 MET HG3 4.68
&rst
ixpk= 0, nxpk= 0, iat= 152, 160, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 33 MET HG3 72 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 160, 735, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 THR HA 33 MET HG3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 140, 160, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 33 MET HG3 99 VAL QG1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1179,1180,1181,
&end
#
# 33 MET HG3 45 LEU QD1 5.24
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 344, 345, 346,
&end
#
# 33 MET HG2 34 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 159, 169, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 MET HN 33 MET HG2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 152, 159, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 33 MET HG2 72 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 159, 735, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 THR HA 33 MET HG2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 140, 159, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 33 MET HG2 99 VAL QG1 4.14
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1179,1180,1181,
&end
#
# 33 MET HG2 45 LEU QD1 5.15
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 344, 345, 346,
&end
#
# 38 GLU HN 38 GLU QG 4.75
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 245, 246,
&end
#
# 38 GLU QG 95 SER HB2 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1117, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 245, 246,
&end
#
# 46 LYS QB 50 ARG HD3 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 358, 359,
&end
#
# 42 TRP HZ3 46 LYS QB 5.36
&rst
ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 358, 359,
&end
#
# 84 LEU QD2 101 ARG HB2 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 936, 937, 938,
&end
#
# 52 ASN HB3 86 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 461, 962, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 MET HG3 97 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1146,1147,1148,
&end
#
# 33 MET HG2 72 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 748, 749, 750,
&end
#
# 33 MET HG2 97 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1146,1147,1148,
&end
#
# 81 VAL HB 82 GLU HN 3.80
&rst
ixpk= 0, nxpk= 0, iat= 886, 898, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 80 LEU HN 81 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 863, 886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 GLU HA 81 VAL HB 3.83
&rst
ixpk= 0, nxpk= 0, iat= 831, 886, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 79 ILE HA 81 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 846, 886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 ARG HN 101 ARG HB3 3.95
&rst
ixpk= 0, nxpk= 0, iat=1204,1209, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 100 GLU HA 101 ARG HB3 5.31
&rst
ixpk= 0, nxpk= 0, iat=1191,1209, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 101 ARG HN 101 ARG HB2 3.97
&rst
ixpk= 0, nxpk= 0, iat=1204,1208, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 100 GLU HA 101 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1191,1208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 LEU QD1 101 ARG HB2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 932, 933, 934,
&end
#
# 96 VAL HB 97 ILE HN 5.40
&rst
ixpk= 0, nxpk= 0, iat=1128,1140, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 35 ASN HND2 96 VAL HB 5.14
&rst
ixpk= 0, nxpk= 0, iat= 201,1128, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 89 ASN HA 96 VAL HB 5.10
&rst
ixpk= 0, nxpk= 0, iat=1016,1128, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 55 GLU HB3 56 THR HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 505, 515, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 55 GLU HB2 56 THR HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 504, 515, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 84 LEU HN 85 GLU QB 4.86
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 946, 947,
&end
#
# 91 GLU HB3 92 PHE HN 4.65
&rst
ixpk= 0, nxpk= 0, iat=1052,1062, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 91 GLU HN 91 GLU HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat=1047,1052, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 91 GLU HB3 96 VAL QG1 4.70
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1130,1131,1132,
&end
#
# 91 GLU HB2 92 PHE HN 4.68
&rst
ixpk= 0, nxpk= 0, iat=1051,1062, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 91 GLU HB2 96 VAL QG1 4.49
&rst
ixpk= 0, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1130,1131,1132,
&end
#
# 91 GLU HB2 96 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1134,1135,1136,
&end
#
# 85 GLU QB 86 ARG HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 946, 947,
&end
#
# 82 GLU HA 85 GLU QB 3.66
&rst
ixpk= 0, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 946, 947,
&end
#
# 83 ALA HA 85 GLU QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 946, 947,
&end
#
# 81 VAL HA 85 GLU QB 5.40
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 946, 947,
&end
#
# 50 ARG QB 51 GLU HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 421, 422,
&end
#
# 81 VAL HN 82 GLU HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat= 882, 903, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 49 ALA HN 50 ARG QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 421, 422,
&end
#
# 29 TYR HD 77 GLU HB3 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 82, 91,
&end
#
# 38 GLU QB 40 CYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 242, 243,
&end
#
# 77 GLU HN 77 GLU HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 814, 818, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 79 ILE HN 79 ILE HG12 4.55
&rst
ixpk= 0, nxpk= 0, iat= 844, 854, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 76 SER HN 79 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 803, 854, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 GLU HB2 79 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 833, 854, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 GLU HN 51 GLU HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 441, 446, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 51 GLU HB3 52 ASN HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 446, 456, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 51 GLU HB3 52 ASN HND1 5.38
&rst
ixpk= 0, nxpk= 0, iat= 446, 465, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 51 GLU HB3 52 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 446, 461, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 GLU HB2 52 ASN HND1 4.62
&rst
ixpk= 0, nxpk= 0, iat= 445, 465, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 49 ALA HA 51 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 409, 445, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LEU HG 51 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 395, 445, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 VAL HA 82 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 884, 903, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
# 040507 5.50-5.80, 5.80-6.30
#
# 79 ILE QG2 82 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 850, 851, 852,
&end
#
# 82 GLU HB3 83 ALA QB 5.31
&rst
ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 917, 918, 919,
&end
#
# 38 GLU QB 39 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 242, 243,
&end
#
# 82 GLU HB2 83 ALA QB 5.25
&rst
ixpk= 0, nxpk= 0, iat= 902, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 917, 918, 919,
&end
#
# 82 GLU HN 82 GLU HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 898, 902, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 79 ILE QG2 82 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 850, 851, 852,
&end
#
# 77 GLU HB2 78 GLU HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 818, 829, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 77 GLU HB2 78 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 818, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LYS HN 34 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 169, 180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LYS HD3 35 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 180, 191, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LYS HA 34 LYS HD3 5.30
&rst
ixpk= 0, nxpk= 0, iat= 171, 180, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 34 LYS HB3 34 LYS HD3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 174, 180, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 34 LYS HN 34 LYS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 169, 179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ILE HG13 80 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 855, 863, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LYS HA 34 LYS HD2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 171, 179, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 79 ILE HA 79 ILE HG12 4.23
&rst
ixpk= 0, nxpk= 0, iat= 846, 854, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 27 LYS HB3 27 LYS QD 3.62
&rst
ixpk= 0, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 38, 39,
&end
#
# 27 LYS QD 28 ARG HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 38, 39,
&end
#
# 27 LYS HA 27 LYS QD 4.56
&rst
ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 38, 39,
&end
#
# 27 LYS HB2 27 LYS QD 3.46
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 38, 39,
&end
#
# 30 ARG HN 30 ARG QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 102, 103,
&end
#
# 30 ARG QG 71 ALA QB 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 102, 103,
igr2= 729, 730, 731,
&end
#
# 30 ARG QG 31 ILE HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 102, 103,
&end
#
# 78 GLU HN 78 GLU HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat= 829, 834, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 78 GLU HB3 79 ILE HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= 834, 844, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 78 GLU HB3 79 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 834, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 GLU HB3 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 857, 858, 859,
&end
#
# 78 GLU HB2 79 ILE HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= 833, 844, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 78 GLU HB2 79 ILE HG13 5.44
&rst
ixpk= 0, nxpk= 0, iat= 833, 855, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 78 GLU HB2 80 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 833, 863, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ARG QG 102 ASP HB3 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 102, 103,
&end
#
# 30 ARG QG 73 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 102, 103,
&end
#
# 40 CYS HB3 41 SER HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 265, 271, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 40 CYS HB3 45 LEU QD2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 348, 349, 350,
&end
#
# 40 CYS HN 40 CYS HB3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 260, 265, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 40 CYS HB3 92 PHE HE 5.28
&rst
ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1072,1076,
&end
#
# 40 CYS HB2 45 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 264, 340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 CYS HB2 41 SER HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 264, 271, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 40 CYS HB2 92 PHE HE 5.21
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1072,1076,
&end
#
# 46 LYS HD2 50 ARG HG3 5.32
&rst
ixpk= 0, nxpk= 0, iat= 364, 425, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 40 CYS HB2 45 LEU HG 4.52
&rst
ixpk= 0, nxpk= 0, iat= 264, 342, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 40 CYS HB2 45 LEU QD2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 348, 349, 350,
&end
#
# 86 ARG HG3 87 LEU HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= 965, 981, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 83 ALA HA 86 ARG HG3 5.35
&rst
ixpk= 0, nxpk= 0, iat= 915, 965, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 86 ARG HG3 87 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 990, 991, 992,
&end
#
# 83 ALA QB 86 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 917, 918, 919,
&end
#
# 86 ARG HG2 87 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 990, 991, 992,
&end
#
# 86 ARG HG2 87 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 964, 981, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 ARG HA 86 ARG HG2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 959, 964, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 82 GLU HG3 86 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 906, 964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE HN 80 LEU QD1 5.05
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 872, 873, 874,
&end
#
# 80 LEU HN 80 LEU QD1 4.65
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 872, 873, 874,
&end
#
# 29 TYR HD 80 LEU QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 82, 91,
igr2= 872, 873, 874,
&end
#
# 31 ILE HA 80 LEU QD1 5.10
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 872, 873, 874,
&end
#
# 80 LEU QD1 101 ARG HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 872, 873, 874,
&end
#
# 80 LEU QD1 81 VAL HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 872, 873, 874,
&end
#
# 29 TYR HB3 80 LEU QD1 4.46
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 872, 873, 874,
&end
#
# 80 LEU HA 80 LEU QD1 3.85
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 872, 873, 874,
&end
#
# 29 TYR HB2 80 LEU QD1 4.09
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 872, 873, 874,
&end
#
# 80 LEU HB3 80 LEU QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 872, 873, 874,
&end
#
# 31 ILE HG12 80 LEU QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 872, 873, 874,
&end
#
# 80 LEU QD1 84 LEU QD2 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 872, 873, 874,
igr2= 936, 937, 938,
&end
#
# 40 CYS HB3 45 LEU HG 4.59
&rst
ixpk= 0, nxpk= 0, iat= 265, 342, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 80 LEU HN 80 LEU HG 4.86
&rst
ixpk= 0, nxpk= 0, iat= 863, 870, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 80 LEU HG 81 VAL HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= 870, 884, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 29 TYR HB2 80 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 78, 870, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE QG2 80 LEU HG 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 125, 126, 127,
&end
#
# 42 TRP HB3 62 ASN HND1 4.59
&rst
ixpk= 0, nxpk= 0, iat= 287, 610, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 41 SER HB3 42 TRP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 276, 287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 TRP HB3 61 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 591, 592, 593,
&end
#
# 42 TRP HB3 61 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 287, 585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 TRP HB2 61 VAL HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 286, 585, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 42 TRP HB2 62 ASN HND1 4.85
&rst
ixpk= 0, nxpk= 0, iat= 286, 610, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 42 TRP HB2 59 SER HB3 5.46
&rst
ixpk= 0, nxpk= 0, iat= 286, 568, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 50 ARG HG3 51 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 425, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 LEU HG 84 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 870, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 ARG HN 50 ARG HG3 4.71
&rst
ixpk= 0, nxpk= 0, iat= 417, 425, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 45 LEU HG 46 LYS HN 5.45
&rst
ixpk= 0, nxpk= 0, iat= 342, 354, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 50 ARG HG2 51 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 424, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 ARG HN 50 ARG HG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 417, 424, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 87 LEU HA 87 LEU HG 4.16
&rst
ixpk= 0, nxpk= 0, iat= 983, 988, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 90 ILE HG13 91 GLU HN 4.99
&rst
ixpk= 0, nxpk= 0, iat=1039,1047, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 90 ILE HN 90 ILE HG13 4.29
&rst
ixpk= 0, nxpk= 0, iat=1028,1039, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 87 LEU QD1 90 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 990, 991, 992,
&end
#
# 90 ILE HG12 97 ILE HN 5.49
&rst
ixpk= 0, nxpk= 0, iat=1038,1140, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 90 ILE HN 90 ILE HG12 4.33
&rst
ixpk= 0, nxpk= 0, iat=1028,1038, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 87 LEU QD1 90 ILE HG12 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 990, 991, 992,
&end
#
# 84 LEU HG 85 GLU HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 930, 942, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 72 LEU HN 72 LEU HG 4.89
&rst
ixpk= 0, nxpk= 0, iat= 735, 742, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 97 ILE HG13 98 THR HN 5.10
&rst
ixpk= 0, nxpk= 0, iat=1151,1159, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 90 ILE HN 97 ILE HG13 4.88
&rst
ixpk= 0, nxpk= 0, iat=1028,1151, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 92 PHE HB2 97 ILE HG13 4.89
&rst
ixpk= 0, nxpk= 0, iat=1066,1151, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 86 ARG HN 87 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 957, 988, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 LEU HN 87 LEU HG 4.12
&rst
ixpk= 0, nxpk= 0, iat= 981, 988, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 87 LEU HG 88 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 988,1000, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 ILE HG12 98 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1150,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 PHE HN 97 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=1062,1150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 PHE HB2 97 ILE HG12 5.12
&rst
ixpk= 0, nxpk= 0, iat=1066,1150, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 48 LEU HG 92 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1072,1076,
&end
#
# 48 LEU HG 52 ASN HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat= 395, 461, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
# 040507 4.46-5.00, 4.96-5.50
#
# 48 LEU HN 48 LEU HG 4.70
&rst
ixpk= 0, nxpk= 0, iat= 388, 395, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 48 LEU HG 52 ASN HND1 5.25
&rst
ixpk= 0, nxpk= 0, iat= 395, 465, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 48 LEU HG 49 ALA HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= 395, 409, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 29 TYR HE 80 LEU QD2 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 84, 89,
igr2= 876, 877, 878,
&end
#
# 80 LEU QD2 84 LEU QD2 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 876, 877, 878,
igr2= 936, 937, 938,
&end
#
# 78 GLU HN 80 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 876, 877, 878,
&end
#
# 84 LEU QD1 101 ARG HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 932, 933, 934,
&end
#
# 84 LEU HN 84 LEU QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 932, 933, 934,
&end
#
# 84 LEU QD1 85 GLU HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 932, 933, 934,
&end
#
# 84 LEU QD1 101 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 932, 933, 934,
&end
#
# 28 ARG HG3 29 TYR HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= 58, 74, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 28 ARG HG2 29 TYR HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= 57, 74, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 30 ARG HN 80 LEU QD2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 876, 877, 878,
&end
#
# 80 LEU QD2 81 VAL HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 876, 877, 878,
&end
#
# 81 VAL QG1 84 LEU HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 888, 889, 890,
&end
#
# 80 LEU HN 80 LEU QD2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 876, 877, 878,
&end
#
# 29 TYR HD 80 LEU QD2 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 82, 91,
igr2= 876, 877, 878,
&end
#
# 29 TYR HA 80 LEU QD2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 876, 877, 878,
&end
#
# 80 LEU QD2 101 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 876, 877, 878,
&end
#
# 81 VAL HA 81 VAL QG1 3.94
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 888, 889, 890,
&end
#
# 80 LEU HA 80 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 876, 877, 878,
&end
#
# 29 TYR HB2 80 LEU QD2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 876, 877, 878,
&end
#
# 84 LEU QD1 101 ARG HD2 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 932, 933, 934,
&end
#
# 84 LEU QD1 101 ARG HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 932, 933, 934,
&end
#
# 28 ARG HN 28 ARG HG2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 50, 57, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 31 ILE HG13 72 LEU HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 130, 735, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 31 ILE HG13 80 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 872, 873, 874,
&end
#
# 31 ILE HN 31 ILE HG13 4.61
&rst
ixpk= 0, nxpk= 0, iat= 119, 130, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 29 TYR HE 31 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 84, 89,
&end
#
# 30 ARG HA 31 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 97, 130, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE HG13 72 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 130, 737, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE HG12 72 LEU HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 129, 735, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 31 ILE HG12 73 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 129, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ARG HA 31 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 97, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 LYS QG 98 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 176, 177,
&end
#
# 34 LYS QG 35 ASN HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 176, 177,
&end
#
# 32 THR HB 34 LYS QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 176, 177,
&end
#
# 34 LYS QG 98 THR HB 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 176, 177,
&end
#
# 46 LYS HN 46 LYS HG3 4.88
&rst
ixpk= 0, nxpk= 0, iat= 354, 362, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 46 LYS HG3 50 ARG HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 362, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 LYS HN 46 LYS HG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 354, 361, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 54 LEU HG 55 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 488, 500, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 SER HN 54 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 470, 488, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 LEU HN 54 LEU HG 4.29
&rst
ixpk= 0, nxpk= 0, iat= 481, 488, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 52 ASN HB3 54 LEU HG 4.99
&rst
ixpk= 0, nxpk= 0, iat= 461, 488, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 27 LYS QG 28 ARG HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 35, 36,
&end
#
# 27 LYS QG 29 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 35, 36,
igr2= 84, 89,
&end
#
# 27 LYS QG 28 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 35, 36,
&end
#
# 48 LEU QD1 92 PHE HE 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 397, 398, 399,
igr2=1072,1076,
&end
#
# 48 LEU QD1 92 PHE HD 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 397, 398, 399,
igr2=1070,1078,
&end
#
# 48 LEU QD1 92 PHE HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 397, 398, 399,
&end
#
# 48 LEU HB2 48 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 397, 398, 399,
&end
#
# 48 LEU QD1 90 ILE QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 397, 398, 399,
igr2=1041,1042,1043,
&end
#
# 48 LEU QD1 97 ILE QD1 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 397, 398, 399,
igr2=1153,1154,1155,
&end
#
# 60 SER HN 72 LEU QD1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 744, 745, 746,
&end
#
# 72 LEU QD1 73 GLU HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 744, 745, 746,
&end
#
# 58 PHE HN 72 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 744, 745, 746,
&end
#
# 59 SER HN 72 LEU QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 744, 745, 746,
&end
#
# 29 TYR HE 72 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 84, 89,
igr2= 744, 745, 746,
&end
#
# 59 SER HB3 72 LEU QD1 3.80
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 744, 745, 746,
&end
#
# 57 THR QG2 58 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 535, 536, 537,
&end
#
# 89 ASN HN 99 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1179,1180,1181,
&end
#
# 99 VAL HN 99 VAL QG1 4.37
&rst
ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1179,1180,1181,
&end
#
# 98 THR HN 99 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1179,1180,1181,
&end
#
# 88 ASN HN 99 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1179,1180,1181,
&end
#
# 88 ASN HA 99 VAL QG1 4.68
&rst
ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1179,1180,1181,
&end
#
# 87 LEU HA 99 VAL QG1 4.36
&rst
ixpk= 0, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1179,1180,1181,
&end
#
# 84 LEU HA 99 VAL QG1 5.07
&rst
ixpk= 0, nxpk= 0, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1179,1180,1181,
&end
#
# 88 ASN HB3 99 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1179,1180,1181,
&end
#
# 98 THR HA 99 VAL QG1 5.16
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1179,1180,1181,
&end
#
# 84 LEU QD2 100 GLU HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 936, 937, 938,
&end
#
# 84 LEU QD2 99 VAL HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 936, 937, 938,
&end
#
# 84 LEU HN 84 LEU QD2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 936, 937, 938,
&end
#
# 84 LEU QD2 85 GLU HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 936, 937, 938,
&end
#
# 84 LEU QD2 99 VAL HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 936, 937, 938,
&end
#
# 31 ILE HA 84 LEU QD2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 936, 937, 938,
&end
#
# 84 LEU QD2 85 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 936, 937, 938,
&end
#
# 81 VAL HA 84 LEU QD2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 936, 937, 938,
&end
#
# 84 LEU HB3 84 LEU QD2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 936, 937, 938,
&end
#
# 84 LEU HB2 84 LEU QD2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 936, 937, 938,
&end
#
# 31 ILE QG2 84 LEU QD2 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 125, 126, 127,
igr2= 936, 937, 938,
&end
#
# 40 CYS HB2 45 LEU QD1 5.41
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 344, 345, 346,
&end
#
# 80 LEU HA 81 VAL QG2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 892, 893, 894,
&end
#
# 77 GLU HB2 81 VAL QG2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 892, 893, 894,
&end
#
# 57 THR QG2 58 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 535, 536, 537,
&end
#
# 81 VAL QG2 82 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 892, 893, 894,
&end
#
# 57 THR QG2 58 PHE HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 535, 536, 537,
&end
#
# 45 LEU QD1 71 ALA HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 344, 345, 346,
&end
#
# 33 MET HN 45 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 344, 345, 346,
&end
#
# 45 LEU HN 45 LEU QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 344, 345, 346,
&end
#
# 45 LEU QD1 70 GLY QA 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 344, 345, 346,
igr2= 720, 721,
&end
#
# 81 VAL HN 81 VAL QG2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 892, 893, 894,
&end
#
# 81 VAL QG2 84 LEU HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 892, 893, 894,
&end
#
# 81 VAL QG2 82 GLU HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 892, 893, 894,
&end
#
# 80 LEU HN 81 VAL QG2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 892, 893, 894,
&end
#
# 81 VAL HA 81 VAL QG2 3.23
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 892, 893, 894,
&end
#
# 45 LEU QD2 92 PHE HD 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 348, 349, 350,
igr2=1070,1078,
&end
#
# 33 MET HA 45 LEU QD2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 348, 349, 350,
&end
#
# 33 MET HB3 45 LEU QD2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 348, 349, 350,
&end
#
# 45 LEU QD2 97 ILE QG2 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 348, 349, 350,
igr2=1146,1147,1148,
&end
#
# 71 ALA HN 71 ALA QB 4.02
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 729, 730, 731,
&end
#
# 31 ILE HN 71 ALA QB 5.08
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 729, 730, 731,
&end
#
# 60 SER HN 71 ALA QB 4.52
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 729, 730, 731,
&end
#
# 72 LEU HN 72 LEU QD2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 748, 749, 750,
&end
#
# 42 TRP HZ3 72 LEU QD2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 748, 749, 750,
&end
#
# 30 ARG HA 71 ALA QB 5.20
&rst
ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 729, 730, 731,
&end
#
# 31 ILE HA 71 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 729, 730, 731,
&end
#
# 32 THR HA 71 ALA QB 4.26
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 729, 730, 731,
&end
#
# 70 GLY QA 71 ALA QB 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 720, 721,
igr2= 729, 730, 731,
&end
#
# 30 ARG QD 71 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 105, 106,
igr2= 729, 730, 731,
&end
#
# 33 MET HG3 72 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 748, 749, 750,
&end
#
# 33 MET HB2 72 LEU QD2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 748, 749, 750,
&end
#
# 32 THR HN 32 THR QG2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 144, 145, 146,
&end
#
# 32 THR QG2 33 MET HN 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 144, 145, 146,
&end
#
# 32 THR QG2 70 GLY HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 144, 145, 146,
&end
#
# 32 THR QG2 100 GLU HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 144, 145, 146,
&end
#
# 32 THR QG2 71 ALA HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 144, 145, 146,
&end
#
# 32 THR QG2 33 MET HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 144, 145, 146,
&end
#
# 32 THR HA 32 THR QG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 144, 145, 146,
&end
#
# 32 THR QG2 69 THR HB 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 144, 145, 146,
&end
#
# 32 THR QG2 34 LYS QE 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 144, 145, 146,
igr2= 182, 183,
&end
#
# 32 THR QG2 102 ASP HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 144, 145, 146,
&end
#
# 48 LEU HN 48 LEU QD2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 401, 402, 403,
&end
#
# 48 LEU QD2 92 PHE HE 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 401, 402, 403,
igr2=1072,1076,
&end
#
# 48 LEU QD2 49 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 401, 402, 403,
&end
#
# 48 LEU QD2 92 PHE HB2 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 401, 402, 403,
&end
#
# 48 LEU QD2 51 GLU HB3 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 401, 402, 403,
&end
#
# 48 LEU QD2 51 GLU HB2 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 401, 402, 403,
&end
#
# 48 LEU HB2 48 LEU QD2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 401, 402, 403,
&end
#
# 61 VAL HN 61 VAL QG2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 595, 596, 597,
&end
#
# 45 LEU HN 61 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 595, 596, 597,
&end
#
# 61 VAL QG2 70 GLY QA 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 595, 596, 597,
igr2= 720, 721,
&end
#
# 45 LEU HG 61 VAL QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 595, 596, 597,
&end
#
# 41 SER HB3 61 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 595, 596, 597,
&end
#
# 87 LEU QD1 88 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 990, 991, 992,
&end
#
# 87 LEU HN 87 LEU QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 990, 991, 992,
&end
#
# 48 LEU QD2 51 GLU HG2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 401, 402, 403,
&end
#
# 87 LEU HB3 87 LEU QD1 4.12
&rst
ixpk= 0, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 990, 991, 992,
&end
#
# 89 ASN HN 98 THR QG2 4.37
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1165,1166,1167,
&end
#
# 98 THR QG2 99 VAL HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1165,1166,1167,
&end
#
# 98 THR HN 98 THR QG2 4.17
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1165,1166,1167,
&end
#
# 98 THR HA 98 THR QG2 3.60
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1165,1166,1167,
&end
#
# 89 ASN HA 98 THR QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1165,1166,1167,
&end
#
# 89 ASN HB2 98 THR QG2 4.93
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1165,1166,1167,
&end
#
# 35 ASN HB2 98 THR QG2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1165,1166,1167,
&end
#
# 98 THR QG2 99 VAL QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1165,1166,1167,
igr2=1183,1184,1185,
&end
#
# 65 ASP HB3 69 THR QG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 710, 711, 712,
&end
#
# 65 ASP HB2 69 THR QG2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 710, 711, 712,
&end
#
# 34 LYS QG 69 THR QG2 2.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 176, 177,
igr2= 710, 711, 712,
&end
#
# 34 LYS HN 98 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1165,1166,1167,
&end
#
# 35 ASN HN 69 THR QG2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 710, 711, 712,
&end
#
# 69 THR HA 69 THR QG2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 710, 711, 712,
&end
#
# 34 LYS HA 69 THR QG2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 710, 711, 712,
&end
#
# 98 THR QG2 100 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1165,1166,1167,
&end
#
# 89 ASN HB3 98 THR QG2 5.46
&rst
ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1165,1166,1167,
&end
#
# 34 LYS QE 69 THR QG2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 182, 183,
igr2= 710, 711, 712,
&end
#
# 34 LYS HB3 69 THR QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 710, 711, 712,
&end
#
# 54 LEU HG 79 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 850, 851, 852,
&end
#
# 61 VAL HN 61 VAL QG1 5.09
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 591, 592, 593,
&end
#
# 40 CYS HN 61 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 591, 592, 593,
&end
#
# 61 VAL HA 61 VAL QG1 3.90
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 591, 592, 593,
&end
#
# 41 SER HB3 61 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 591, 592, 593,
&end
#
# 42 TRP HA 61 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 591, 592, 593,
&end
#
# 61 VAL QG1 70 GLY QA 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 591, 592, 593,
igr2= 720, 721,
&end
#
# 42 TRP HB2 61 VAL QG1 5.18
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 591, 592, 593,
&end
#
# 40 CYS HB3 61 VAL QG1 5.27
&rst
ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 591, 592, 593,
&end
#
# 40 CYS HB2 61 VAL QG1 4.76
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 591, 592, 593,
&end
#
# 61 VAL QG1 62 ASN HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 591, 592, 593,
&end
#
# 79 ILE QG2 79 ILE QD1 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 850, 851, 852,
igr2= 857, 858, 859,
&end
#
# 92 PHE HN 96 VAL QG1 4.89
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1130,1131,1132,
&end
#
# 96 VAL QG1 97 ILE HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1130,1131,1132,
&end
#
# 91 GLU HN 96 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1130,1131,1132,
&end
#
# 35 ASN HND2 96 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1130,1131,1132,
&end
#
# 90 ILE HN 96 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1130,1131,1132,
&end
#
# 96 VAL HA 96 VAL QG1 3.42
&rst
ixpk= 0, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1130,1131,1132,
&end
#
# 92 PHE HN 96 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1134,1135,1136,
&end
#
# 96 VAL QG2 97 ILE HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1134,1135,1136,
&end
#
# 96 VAL HN 96 VAL QG2 4.26
&rst
ixpk= 0, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1134,1135,1136,
&end
#
# 91 GLU HN 96 VAL QG2 5.49
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1134,1135,1136,
&end
#
# 90 ILE HN 96 VAL QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1134,1135,1136,
&end
#
# 96 VAL HA 96 VAL QG2 3.51
&rst
ixpk= 0, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1134,1135,1136,
&end
#
# 89 ASN HA 96 VAL QG2 3.31
&rst
ixpk= 0, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1134,1135,1136,
&end
#
# 96 VAL QG2 97 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1134,1135,1136,
&end
#
# 96 VAL QG2 97 ILE HG12 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1134,1135,1136,
&end
#
# 96 VAL QG2 97 ILE QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1134,1135,1136,
igr2=1146,1147,1148,
&end
#
# 83 ALA QB 87 LEU QD1 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1= 917, 918, 919,
igr2= 990, 991, 992,
&end
#
# 83 ALA QB 84 LEU HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 925, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 917, 918, 919,
&end
#
# 81 VAL HA 83 ALA QB 5.21
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 917, 918, 919,
&end
#
# 80 LEU HA 83 ALA QB 3.86
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 917, 918, 919,
&end
#
# 83 ALA QB 86 ARG HB3 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 917, 918, 919,
&end
#
# 54 LEU QD1 83 ALA QB 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 490, 491, 492,
igr2= 917, 918, 919,
&end
#
# 83 ALA QB 84 LEU QD2 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 917, 918, 919,
igr2= 936, 937, 938,
&end
#
# 99 VAL QG2 100 GLU HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1183,1184,1185,
&end
#
# 84 LEU HN 99 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1183,1184,1185,
&end
#
# 33 MET HA 99 VAL QG2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1183,1184,1185,
&end
#
# 85 GLU HA 99 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1183,1184,1185,
&end
#
# 84 LEU HA 99 VAL QG2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1183,1184,1185,
&end
#
# 87 LEU HB3 99 VAL QG2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1183,1184,1185,
&end
#
# 84 LEU QD1 99 VAL QG2 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 932, 933, 934,
igr2=1183,1184,1185,
&end
#
# 85 GLU HN 99 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1183,1184,1185,
&end
#
# 26 ALA QB 27 LYS HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 28, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 22, 23, 24,
&end
#
# 25 PRO HA 26 ALA QB 4.91
&rst
ixpk= 0, nxpk= 0, iat= 14, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 22, 23, 24,
&end
#
# 25 PRO QG 26 ALA QB 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 8, 9,
igr2= 22, 23, 24,
&end
#
# 25 PRO HB2 26 ALA QB 4.74
&rst
ixpk= 0, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 22, 23, 24,
&end
#
# 26 ALA QB 27 LYS HB2 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 32, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 22, 23, 24,
&end
#
# 92 PHE HN 97 ILE QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1146,1147,1148,
&end
#
# 34 LYS HN 97 ILE QG2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1146,1147,1148,
&end
#
# 97 ILE HN 97 ILE QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1146,1147,1148,
&end
#
# 35 ASN HN 97 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1146,1147,1148,
&end
#
# 97 ILE QG2 98 THR HN 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1146,1147,1148,
&end
#
# 92 PHE HD 97 ILE QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1070,1078,
igr2=1146,1147,1148,
&end
#
# 33 MET HA 97 ILE QG2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=1146,1147,1148,
&end
#
# 95 SER HB2 97 ILE QG2 4.39
&rst
ixpk= 0, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1146,1147,1148,
&end
#
# 92 PHE HB2 97 ILE QG2 3.97
&rst
ixpk= 0, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1146,1147,1148,
&end
#
# 33 MET HB3 97 ILE QG2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1146,1147,1148,
&end
#
# 54 LEU HB3 54 LEU QD1 3.83
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 490, 491, 492,
&end
#
# 97 ILE QG2 97 ILE HG12 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1146,1147,1148,
&end
#
# 54 LEU QD1 87 LEU QD2 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 490, 491, 492,
igr2= 994, 995, 996,
&end
#
# 97 ILE QG2 97 ILE QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1146,1147,1148,
igr2=1153,1154,1155,
&end
#
# 54 LEU QD1 87 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 490, 491, 492,
igr2= 990, 991, 992,
&end
#
# 48 LEU QD1 97 ILE QG2 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1= 397, 398, 399,
igr2=1146,1147,1148,
&end
#
# 31 ILE QG2 84 LEU HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 925, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 125, 126, 127,
&end
#
# 31 ILE QG2 100 GLU HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 125, 126, 127,
&end
#
# 31 ILE QG2 84 LEU HN 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 125, 126, 127,
&end
#
# 31 ILE QG2 73 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 125, 126, 127,
&end
#
# 49 ALA QB 87 LEU QD1 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1= 411, 412, 413,
igr2= 990, 991, 992,
&end
#
# 49 ALA QB 50 ARG HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 411, 412, 413,
&end
#
# 33 MET QE 49 ALA QB 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 163, 164, 165,
igr2= 411, 412, 413,
&end
#
# 48 LEU HB2 49 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 411, 412, 413,
&end
#
# 49 ALA QB 54 LEU QD1 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 411, 412, 413,
igr2= 490, 491, 492,
&end
#
# 45 LEU QD2 49 ALA QB 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 348, 349, 350,
igr2= 411, 412, 413,
&end
#
# 49 ALA QB 87 LEU QD2 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 411, 412, 413,
igr2= 994, 995, 996,
&end
#
# 48 LEU QD1 49 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 397, 398, 399,
igr2= 411, 412, 413,
&end
#
# 89 ASN HN 90 ILE QG2 4.79
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1034,1035,1036,
&end
#
# 88 ASN HN 90 ILE QG2 5.28
&rst
ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1034,1035,1036,
&end
#
# 83 ALA QB 87 LEU QD2 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 917, 918, 919,
igr2= 994, 995, 996,
&end
#
# 33 MET QE 34 LYS HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 163, 164, 165,
&end
#
# 33 MET HN 33 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 163, 164, 165,
&end
#
# 33 MET HA 33 MET QE 4.36
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 163, 164, 165,
&end
#
# 33 MET QE 70 GLY QA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 163, 164, 165,
igr2= 720, 721,
&end
#
# 33 MET HG2 33 MET QE 3.68
&rst
ixpk= 0, nxpk= 0, iat= 159, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 163, 164, 165,
&end
#
# 33 MET QE 97 ILE HB 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 163, 164, 165,
&end
#
# 33 MET HB3 33 MET QE 3.28
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 163, 164, 165,
&end
#
# 33 MET QE 97 ILE QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 163, 164, 165,
igr2=1146,1147,1148,
&end
#
# 33 MET QE 45 LEU QD2 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 163, 164, 165,
igr2= 348, 349, 350,
&end
#
# 33 MET QE 99 VAL QG1 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 163, 164, 165,
igr2=1179,1180,1181,
&end
#
# 33 MET QE 97 ILE QD1 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 163, 164, 165,
igr2=1153,1154,1155,
&end
#
# 90 ILE QD1 97 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1041,1042,1043,
&end
#
# 90 ILE QD1 91 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1041,1042,1043,
&end
#
# 52 ASN HND2 90 ILE QD1 5.08
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1041,1042,1043,
&end
#
# 52 ASN HND1 90 ILE QD1 4.44
&rst
ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1041,1042,1043,
&end
#
# 90 ILE HN 90 ILE QD1 4.74
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1041,1042,1043,
&end
#
# 87 LEU HA 90 ILE QD1 3.75
&rst
ixpk= 0, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1041,1042,1043,
&end
#
# 90 ILE QD1 92 PHE HB2 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1041,1042,1043,
&end
#
# 52 ASN HB3 90 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1041,1042,1043,
&end
#
# 90 ILE HB 90 ILE QD1 3.62
&rst
ixpk= 0, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1041,1042,1043,
&end
#
# 87 LEU QD1 90 ILE QD1 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 990, 991, 992,
igr2=1041,1042,1043,
&end
#
# 92 PHE HN 97 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1153,1154,1155,
&end
#
# 92 PHE HD 97 ILE QD1 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1070,1078,
igr2=1153,1154,1155,
&end
#
# 97 ILE HN 97 ILE QD1 4.60
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1153,1154,1155,
&end
#
# 97 ILE QD1 98 THR HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1153,1154,1155,
&end
#
# 54 LEU QD2 83 ALA HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 494, 495, 496,
&end
#
# 92 PHE HB2 97 ILE QD1 4.09
&rst
ixpk= 0, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1153,1154,1155,
&end
#
# 31 ILE QD1 101 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 132, 133, 134,
&end
#
# 31 ILE HN 31 ILE QD1 4.61
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 132, 133, 134,
&end
#
# 29 TYR HE 31 ILE QD1 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 84, 89,
igr2= 132, 133, 134,
&end
#
# 31 ILE HA 31 ILE QD1 4.68
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 132, 133, 134,
&end
#
# 31 ILE QD1 84 LEU HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 925, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 132, 133, 134,
&end
#
# 31 ILE QD1 80 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 132, 133, 134,
&end
#
# 31 ILE QD1 33 MET HG2 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 159, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 132, 133, 134,
&end
#
# 31 ILE QD1 99 VAL QG2 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 132, 133, 134,
igr2=1183,1184,1185,
&end
#
# 92 PHE HN 92 PHE HD 4.99
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1070,1078,
&end
#
# 92 PHE HN 96 VAL HA 4.02
&rst
ixpk= 0, nxpk= 0, iat=1062,1126, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 92 PHE HN 95 SER HB2 4.63
&rst
ixpk= 0, nxpk= 0, iat=1062,1117, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 92 PHE HN 92 PHE HB2 3.47
&rst
ixpk= 0, nxpk= 0, iat=1062,1066, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 91 GLU HG2 92 PHE HN 4.37
&rst
ixpk= 0, nxpk= 0, iat=1054,1062, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 35 ASN HB3 97 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 196,1140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 PHE HN 97 ILE HN 4.97
&rst
ixpk= 0, nxpk= 0, iat=1062,1140, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 97 ILE HN 98 THR HN 4.82
&rst
ixpk= 0, nxpk= 0, iat=1140,1159, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 90 ILE HN 97 ILE HN 4.62
&rst
ixpk= 0, nxpk= 0, iat=1028,1140, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 96 VAL HA 97 ILE HN 3.06
&rst
ixpk= 0, nxpk= 0, iat=1126,1140, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 92 PHE HB2 97 ILE HN 4.78
&rst
ixpk= 0, nxpk= 0, iat=1066,1140, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 97 ILE HN 97 ILE HB 3.68
&rst
ixpk= 0, nxpk= 0, iat=1140,1144, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 97 ILE HN 97 ILE HG13 3.94
&rst
ixpk= 0, nxpk= 0, iat=1140,1151, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 97 ILE HN 97 ILE HG12 3.68
&rst
ixpk= 0, nxpk= 0, iat=1140,1150, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 30 ARG HN 31 ILE HN 5.41
&rst
ixpk= 0, nxpk= 0, iat= 95, 119, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 29 TYR HN 30 ARG HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 74, 95, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 29 TYR HD 30 ARG HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 82, 91,
&end
#
# 29 TYR HA 30 ARG HN 3.19
&rst
ixpk= 0, nxpk= 0, iat= 76, 95, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 29 TYR HB3 30 ARG HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 79, 95, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 29 TYR HB2 30 ARG HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 78, 95, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 30 ARG HN 30 ARG HB3 3.81
&rst
ixpk= 0, nxpk= 0, iat= 95, 100, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 30 ARG HN 30 ARG HB2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 95, 99, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 32 THR HN 102 ASP HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= 138,1228, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 31 ILE HA 102 ASP HN 3.63
&rst
ixpk= 0, nxpk= 0, iat= 121,1228, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 101 ARG HA 102 ASP HN 3.16
&rst
ixpk= 0, nxpk= 0, iat=1206,1228, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 101 ARG QG 102 ASP HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1211,1212,
&end
#
# 31 ILE QG2 102 ASP HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 125, 126, 127,
&end
#
# 55 GLU HN 55 GLU HB2 3.27
&rst
ixpk= 0, nxpk= 0, iat= 500, 504, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 54 LEU HB2 55 GLU HN 3.51
&rst
ixpk= 0, nxpk= 0, iat= 485, 500, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 92 PHE HB2 96 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1066,1124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 PHE HN 96 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1062,1124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 SER HN 96 VAL HN 4.05
&rst
ixpk= 0, nxpk= 0, iat=1113,1124, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 95 SER HB2 96 VAL HN 5.31
&rst
ixpk= 0, nxpk= 0, iat=1117,1124, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 96 VAL HN 96 VAL QG1 3.46
&rst
ixpk= 0, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1130,1131,1132,
&end
#
# 41 SER HB2 43 GLN HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 275, 306, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 93 ARG HN 95 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1082,1113, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 PHE HN 93 ARG HN 5.25
&rst
ixpk= 0, nxpk= 0, iat=1062,1082, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 93 ARG HN 94 GLY HN 4.44
&rst
ixpk= 0, nxpk= 0, iat=1082,1106, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 92 PHE HD 93 ARG HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1070,1078,
&end
#
# 92 PHE HA 93 ARG HN 3.23
&rst
ixpk= 0, nxpk= 0, iat=1064,1082, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 103 ASP HN 103 ASP HB3 4.01
&rst
ixpk= 0, nxpk= 0, iat=1240,1245, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 103 ASP HN 103 ASP HB2 3.96
&rst
ixpk= 0, nxpk= 0, iat=1240,1244, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 100 GLU HA 101 ARG HN 2.94
&rst
ixpk= 0, nxpk= 0, iat=1191,1204, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 84 LEU QD2 101 ARG HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 936, 937, 938,
&end
#
# 33 MET HN 72 LEU HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= 152, 735, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 33 MET HN 69 THR HB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 152, 708, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 33 MET HN 69 THR HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 152, 706, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 32 THR HA 33 MET HN 3.13
&rst
ixpk= 0, nxpk= 0, iat= 140, 152, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 33 MET HN 33 MET HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat= 152, 157, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 33 MET HN 33 MET HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 152, 156, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 33 MET HN 99 VAL QG1 4.68
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1179,1180,1181,
&end
#
# 62 ASN HN 70 GLY QA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 720, 721,
&end
#
# 61 VAL QG2 71 ALA HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 595, 596, 597,
&end
#
# 28 ARG HN 29 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 50, 74, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TYR HN 29 TYR HD 4.11
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 82, 91,
&end
#
# 28 ARG HA 29 TYR HN 3.20
&rst
ixpk= 0, nxpk= 0, iat= 52, 74, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 29 TYR HN 29 TYR HB3 3.95
&rst
ixpk= 0, nxpk= 0, iat= 74, 79, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 29 TYR HN 80 LEU QD2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 876, 877, 878,
&end
#
# 71 ALA HN 72 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 725, 735, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 GLU HN 92 PHE HN 4.78
&rst
ixpk= 0, nxpk= 0, iat=1047,1062, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 90 ILE HA 91 GLU HN 2.88
&rst
ixpk= 0, nxpk= 0, iat=1030,1047, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 91 GLU HN 91 GLU HB2 2.95
&rst
ixpk= 0, nxpk= 0, iat=1047,1051, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 67 ASP HN 68 GLY HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 685, 697, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 66 PHE QB 67 ASP HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 685, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 669, 670,
&end
#
# 90 ILE HN 91 GLU HN 4.54
&rst
ixpk= 0, nxpk= 0, iat=1028,1047, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 90 ILE QG2 91 GLU HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1034,1035,1036,
&end
#
# 47 ASP HA 48 LEU HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= 378, 388, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 47 ASP HB3 48 LEU HN 3.80
&rst
ixpk= 0, nxpk= 0, iat= 381, 388, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 82 GLU HN 83 ALA HN 3.42
&rst
ixpk= 0, nxpk= 0, iat= 898, 913, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 80 LEU HA 83 ALA HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 865, 913, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 82 GLU HB2 83 ALA HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= 902, 913, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 83 ALA HN 83 ALA QB 3.25
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 917, 918, 919,
&end
#
# 48 LEU HN 48 LEU HB3 3.25
&rst
ixpk= 0, nxpk= 0, iat= 388, 393, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 48 LEU HN 48 LEU HB2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 388, 392, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 48 LEU HN 48 LEU QD1 4.65
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 397, 398, 399,
&end
#
# 82 GLU HG3 83 ALA HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= 906, 913, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 82 GLU HB3 83 ALA HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= 903, 913, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 41 SER HN 44 ASP HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat= 271, 328, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 41 SER HN 43 GLN QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 313, 314,
&end
#
# 41 SER HN 61 VAL QG2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 595, 596, 597,
&end
#
# 41 SER HN 42 TRP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 271, 282, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TYR HD 77 GLU HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 82, 91,
&end
#
# 76 SER HA 77 GLU HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 805, 814, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 77 GLU HN 77 GLU HB3 3.41
&rst
ixpk= 0, nxpk= 0, iat= 814, 819, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 29 TYR HE 77 GLU HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 84, 89,
&end
#
# 77 GLU HN 77 GLU HG2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 814, 821, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 80 LEU HN 80 LEU HB3 3.32
&rst
ixpk= 0, nxpk= 0, iat= 863, 868, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 80 LEU HN 81 VAL HN 3.79
&rst
ixpk= 0, nxpk= 0, iat= 863, 882, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 77 GLU HA 80 LEU HN 3.79
&rst
ixpk= 0, nxpk= 0, iat= 816, 863, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 80 LEU HN 80 LEU HB2 3.04
&rst
ixpk= 0, nxpk= 0, iat= 863, 867, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 49 ALA HN 49 ALA QB 3.11
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 411, 412, 413,
&end
#
# 74 PHE HB2 80 LEU HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 773, 863, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 89 ASN HN 99 VAL HN 4.13
&rst
ixpk= 0, nxpk= 0, iat=1014,1173, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 89 ASN HN 98 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1014,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 ASN HN 89 ASN HN 4.92
&rst
ixpk= 0, nxpk= 0, iat=1000,1014, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 89 ASN HN 89 ASN HB2 3.58
&rst
ixpk= 0, nxpk= 0, iat=1014,1018, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 89 ASN HN 99 VAL QG2 3.88
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1183,1184,1185,
&end
#
# 48 LEU QD1 49 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 397, 398, 399,
&end
#
# 49 ALA HN 51 GLU HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 407, 441, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 51 GLU HN 52 ASN HN 3.59
&rst
ixpk= 0, nxpk= 0, iat= 441, 456, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 47 ASP HA 51 GLU HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 378, 441, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 50 ARG HD2 51 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 427, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 GLU HN 51 GLU HG2 3.47
&rst
ixpk= 0, nxpk= 0, iat= 441, 448, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 51 GLU HN 51 GLU HB2 2.87
&rst
ixpk= 0, nxpk= 0, iat= 441, 445, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 49 ALA QB 51 GLU HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 411, 412, 413,
&end
#
# 48 LEU HG 51 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 395, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LEU QD2 51 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 401, 402, 403,
&end
#
# 58 PHE HN 58 PHE HD 5.38
&rst
ixpk= 0, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 551, 559,
&end
#
# 47 ASP HN 48 LEU HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= 376, 388, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 46 LYS HN 47 ASP HN 3.63
&rst
ixpk= 0, nxpk= 0, iat= 354, 376, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 47 ASP HN 50 ARG HD3 4.97
&rst
ixpk= 0, nxpk= 0, iat= 376, 428, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 46 LYS QB 47 ASP HN 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 358, 359,
&end
#
# 47 ASP HN 49 ALA QB 4.62
&rst
ixpk= 0, nxpk= 0, iat= 376, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 411, 412, 413,
&end
#
# 46 LYS HG2 47 ASP HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 361, 376, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 57 THR HN 58 PHE HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= 529, 543, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 58 PHE HN 73 GLU HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 543, 754, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 56 THR HB 58 PHE HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= 519, 543, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 57 THR QG2 58 PHE HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 535, 536, 537,
&end
#
# 50 ARG HN 51 GLU HN 3.61
&rst
ixpk= 0, nxpk= 0, iat= 417, 441, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 49 ALA HN 50 ARG HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= 407, 417, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 50 ARG HN 50 ARG HD2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 417, 427, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 49 ALA QB 50 ARG HN 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 411, 412, 413,
&end
#
# 27 LYS HA 28 ARG HN 3.04
&rst
ixpk= 0, nxpk= 0, iat= 30, 50, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 28 ARG HN 28 ARG HG3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 50, 58, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 34 LYS HN 34 LYS QE 5.40
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 182, 183,
&end
#
# 50 ARG HN 52 ASN HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 417, 456, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 50 ARG HN 50 ARG QB 2.89
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 421, 422,
&end
#
# 28 ARG HN 28 ARG QD 4.83
&rst
ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 60, 61,
&end
#
# 34 LYS HN 98 THR HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 169,1159, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 34 LYS HN 99 VAL HA 4.17
&rst
ixpk= 0, nxpk= 0, iat= 169,1175, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 33 MET HA 34 LYS HN 3.15
&rst
ixpk= 0, nxpk= 0, iat= 154, 169, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 33 MET HB3 34 LYS HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= 157, 169, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 34 LYS HN 34 LYS QG 3.84
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 176, 177,
&end
#
# 34 LYS HN 99 VAL QG1 4.38
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1179,1180,1181,
&end
#
# 38 GLU HN 38 GLU QB 2.90
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 242, 243,
&end
#
# 82 GLU HN 84 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 898, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ILE HA 82 GLU HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= 846, 898, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 82 GLU HN 82 GLU HG3 3.78
&rst
ixpk= 0, nxpk= 0, iat= 898, 906, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 82 GLU HN 82 GLU HB3 2.88
&rst
ixpk= 0, nxpk= 0, iat= 898, 903, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 81 VAL QG1 82 GLU HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 888, 889, 890,
&end
#
# 42 TRP HN 44 ASP HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 282, 323, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 41 SER HB2 42 TRP HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 275, 282, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 42 TRP HN 61 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 282, 587, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 TRP HN 61 VAL QG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 595, 596, 597,
&end
#
# 44 ASP HN 45 LEU HN 3.61
&rst
ixpk= 0, nxpk= 0, iat= 323, 335, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 44 ASP HN 44 ASP HB3 3.46
&rst
ixpk= 0, nxpk= 0, iat= 323, 328, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 44 ASP HN 44 ASP HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 323, 327, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 41 SER HN 44 ASP HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 271, 323, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 39 GLY HN 40 CYS HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 253, 260, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 43 GLN QG 44 ASP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 313, 314,
&end
#
# 78 GLU HN 79 ILE HN 3.82
&rst
ixpk= 0, nxpk= 0, iat= 829, 844, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 77 GLU HA 79 ILE HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 816, 844, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 79 ILE HN 79 ILE HG13 3.20
&rst
ixpk= 0, nxpk= 0, iat= 844, 855, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 79 ILE HN 79 ILE QG2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 850, 851, 852,
&end
#
# 76 SER HN 79 ILE HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 803, 844, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 52 ASN HN 54 LEU HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 456, 481, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 53 SER HA 54 LEU HN 3.25
&rst
ixpk= 0, nxpk= 0, iat= 472, 481, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 49 ALA QB 54 LEU HN 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 411, 412, 413,
&end
#
# 44 ASP HA 46 LYS HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= 325, 354, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 46 LYS HN 61 VAL QG2 5.46
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 595, 596, 597,
&end
#
# 52 ASN HB3 54 LEU HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= 461, 481, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 54 LEU HN 54 LEU HB2 3.80
&rst
ixpk= 0, nxpk= 0, iat= 481, 485, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 54 LEU HN 54 LEU QD2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 494, 495, 496,
&end
#
# 66 PHE HN 66 PHE QB 3.35
&rst
ixpk= 0, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 669, 670,
&end
#
# 46 LYS HN 46 LYS QB 2.99
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 358, 359,
&end
#
# 45 LEU HB2 46 LYS HN 3.80
&rst
ixpk= 0, nxpk= 0, iat= 339, 354, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 101 ARG HB3 104 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1209,1252, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 ASP HB3 66 PHE HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 658, 665, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 104 ASN HN 104 ASN HB2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1252,1256, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 34 LYS QE 100 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 182, 183,
&end
#
# 61 VAL HN 71 ALA HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= 585, 725, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 32 THR HA 100 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 140,1189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 THR HN 100 GLU HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= 138,1189, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 99 VAL HA 100 GLU HN 3.03
&rst
ixpk= 0, nxpk= 0, iat=1175,1189, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 33 MET HA 100 GLU HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 154,1189, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 31 ILE HB 100 GLU HN 3.22
&rst
ixpk= 0, nxpk= 0, iat= 123,1189, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 99 VAL QG1 100 GLU HN 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1179,1180,1181,
&end
#
# 60 SER QB 61 VAL HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 578, 579,
&end
#
# 33 MET HN 100 GLU HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= 152,1189, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 29 TYR HB2 31 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 78, 119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 GLU HA 74 PHE HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= 756, 769, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 73 GLU QG 74 PHE HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 761, 762,
&end
#
# 31 ILE HN 72 LEU HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 119, 735, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 30 ARG HA 31 ILE HN 3.46
&rst
ixpk= 0, nxpk= 0, iat= 97, 119, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 31 ILE HN 31 ILE HG12 3.58
&rst
ixpk= 0, nxpk= 0, iat= 119, 129, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 31 ILE HN 31 ILE QG2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 125, 126, 127,
&end
#
# 78 GLU HA 81 VAL HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 831, 882, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 58 PHE HB2 59 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 547, 563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE QD1 32 THR HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 138, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 132, 133, 134,
&end
#
# 81 VAL HN 81 VAL HB 2.98
&rst
ixpk= 0, nxpk= 0, iat= 882, 886, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 80 LEU HG 81 VAL HN 3.87
&rst
ixpk= 0, nxpk= 0, iat= 870, 882, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 32 THR HN 101 ARG HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= 138,1206, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 32 THR HN 102 ASP HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 138,1232, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 31 ILE HB 32 THR HN 3.58
&rst
ixpk= 0, nxpk= 0, iat= 123, 138, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 45 LEU HN 47 ASP HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= 335, 376, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 44 ASP HB3 45 LEU HN 3.72
&rst
ixpk= 0, nxpk= 0, iat= 328, 335, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 44 ASP HB2 45 LEU HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 327, 335, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 45 LEU HN 45 LEU HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat= 335, 340, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 45 LEU HN 45 LEU HG 3.44
&rst
ixpk= 0, nxpk= 0, iat= 335, 342, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 45 LEU HN 45 LEU HB2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 335, 339, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 41 SER HN 45 LEU HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 271, 335, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 71 ALA HA 72 LEU HN 3.24
&rst
ixpk= 0, nxpk= 0, iat= 727, 735, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 72 LEU HN 72 LEU HB3 3.38
&rst
ixpk= 0, nxpk= 0, iat= 735, 740, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 92 PHE HN 95 SER HN 3.76
&rst
ixpk= 0, nxpk= 0, iat=1062,1113, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 95 SER HN 95 SER HB2 3.20
&rst
ixpk= 0, nxpk= 0, iat=1113,1117, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 31 ILE QD1 72 LEU HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 735, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 132, 133, 134,
&end
#
# 91 GLU HG2 95 SER HN 4.25
&rst
ixpk= 0, nxpk= 0, iat=1054,1113, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 77 GLU HN 78 GLU HN 3.68
&rst
ixpk= 0, nxpk= 0, iat= 814, 829, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 92 PHE HB2 95 SER HN 4.19
&rst
ixpk= 0, nxpk= 0, iat=1066,1113, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 78 GLU HN 78 GLU HB2 2.98
&rst
ixpk= 0, nxpk= 0, iat= 829, 833, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 57 THR HN 73 GLU HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 529, 754, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 58 PHE HD 73 GLU HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 551, 559,
&end
#
# 72 LEU HA 73 GLU HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 737, 754, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 73 GLU HN 73 GLU QG 4.41
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 761, 762,
&end
#
# 72 LEU HB2 73 GLU HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= 739, 754, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 62 ASN HB2 63 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 605, 615, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ASN HB3 63 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 606, 615, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 THR HB 73 GLU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 519, 754, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ASN HN 53 SER HN 3.29
&rst
ixpk= 0, nxpk= 0, iat= 456, 470, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 50 ARG HA 52 ASN HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= 419, 456, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 52 ASN HN 52 ASN HB3 3.69
&rst
ixpk= 0, nxpk= 0, iat= 456, 461, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 51 GLU HB2 52 ASN HN 3.72
&rst
ixpk= 0, nxpk= 0, iat= 445, 456, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 49 ALA QB 52 ASN HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 411, 412, 413,
&end
#
# 86 ARG HN 88 ASN HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= 957,1000, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 83 ALA HN 84 LEU HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= 913, 923, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 84 LEU HN 85 GLU HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= 923, 942, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 81 VAL HA 84 LEU HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 884, 923, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 84 LEU HN 84 LEU HG 3.25
&rst
ixpk= 0, nxpk= 0, iat= 923, 930, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 84 LEU HN 84 LEU HB2 3.52
&rst
ixpk= 0, nxpk= 0, iat= 923, 927, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 83 ALA QB 84 LEU HN 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 917, 918, 919,
&end
#
# 48 LEU QD2 52 ASN HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 401, 402, 403,
&end
#
# 85 GLU HN 86 ARG HN 3.29
&rst
ixpk= 0, nxpk= 0, iat= 942, 957, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 85 GLU HN 85 GLU QB 2.99
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 946, 947,
&end
#
# 84 LEU HB2 85 GLU HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 927, 942, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 34 LYS HA 35 ASN HN 3.20
&rst
ixpk= 0, nxpk= 0, iat= 171, 191, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 35 ASN HN 35 ASN HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 191, 195, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 58 PHE HD 60 SER HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 551, 559,
&end
#
# 58 PHE HE 60 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 553, 557,
&end
#
# 60 SER HN 71 ALA HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 574, 725, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 59 SER HA 60 SER HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= 565, 574, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 60 SER HN 60 SER QB 4.08
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 578, 579,
&end
#
# 60 SER HN 61 VAL QG2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 595, 596, 597,
&end
#
# 48 LEU QD1 52 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 397, 398, 399,
&end
#
# 89 ASN HA 90 ILE HN 3.20
&rst
ixpk= 0, nxpk= 0, iat=1016,1028, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 90 ILE HN 90 ILE QG2 3.49
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1034,1035,1036,
&end
#
# 89 ASN HN 90 ILE HN 3.50
&rst
ixpk= 0, nxpk= 0, iat=1014,1028, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 GLU HN 52 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 441, 466, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LEU HG 52 ASN HND2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 395, 466, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 48 LEU QD2 52 ASN HND2 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 401, 402, 403,
&end
#
# 48 LEU QD1 52 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 397, 398, 399,
&end
#
# 52 ASN HND1 87 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 465, 988, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ASN HND1 87 LEU QD2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 994, 995, 996,
&end
#
# 48 LEU QD2 52 ASN HND1 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 401, 402, 403,
&end
#
# 88 ASN HN 90 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1000,1028, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ASN HB2 52 ASN HND2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 460, 466, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 51 GLU HB2 52 ASN HND2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 445, 466, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 88 ASN HN 99 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1000,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 LEU HA 99 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 925,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 ASN HA 104 ASN HND2 5.06
&rst
ixpk= 0, nxpk= 0, iat=1254,1262, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 98 THR HA 99 VAL HN 3.04
&rst
ixpk= 0, nxpk= 0, iat=1161,1173, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 88 ASN HB2 99 VAL HN 4.42
&rst
ixpk= 0, nxpk= 0, iat=1004,1173, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 99 VAL HN 99 VAL QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1183,1184,1185,
&end
#
# 104 ASN HA 104 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1254,1261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 GLN QG 62 ASN HND2 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 313, 314,
&end
#
# 87 LEU HN 88 ASN HN 3.32
&rst
ixpk= 0, nxpk= 0, iat= 981,1000, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 88 ASN HN 88 ASN HB2 2.90
&rst
ixpk= 0, nxpk= 0, iat=1000,1004, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 87 LEU HB3 88 ASN HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 986,1000, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 88 ASN HN 99 VAL QG2 3.74
&rst
ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1183,1184,1185,
&end
#
# 35 ASN HB3 98 THR HN 3.27
&rst
ixpk= 0, nxpk= 0, iat= 196,1159, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 35 ASN HB2 98 THR HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= 195,1159, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 35 ASN HND2 96 VAL QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1134,1135,1136,
&end
#
# 35 ASN HND1 96 VAL HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 200,1124, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 35 ASN HB3 35 ASN HND1 3.78
&rst
ixpk= 0, nxpk= 0, iat= 196, 200, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 35 ASN HND1 96 VAL HB 5.05
&rst
ixpk= 0, nxpk= 0, iat= 200,1128, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 97 ILE HB 98 THR HN 3.74
&rst
ixpk= 0, nxpk= 0, iat=1144,1159, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 89 ASN HND2 98 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1165,1166,1167,
&end
#
# 89 ASN HND1 98 THR HN 5.32
&rst
ixpk= 0, nxpk= 0, iat=1023,1159, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 89 ASN HND1 90 ILE HN 5.08
&rst
ixpk= 0, nxpk= 0, iat=1023,1028, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 89 ASN HND2 96 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1134,1135,1136,
&end
#
# 89 ASN HB2 89 ASN HND1 3.54
&rst
ixpk= 0, nxpk= 0, iat=1018,1023, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 89 ASN HB2 89 ASN HND2 4.02
&rst
ixpk= 0, nxpk= 0, iat=1018,1024, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 89 ASN HND1 98 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1165,1166,1167,
&end
#
# 38 GLU QB 39 GLY HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 242, 243,
&end
#
# 85 GLU HN 87 LEU HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 942, 981, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 88 ASN HND2 99 VAL HN 5.23
&rst
ixpk= 0, nxpk= 0, iat=1010,1173, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 88 ASN HB2 88 ASN HND2 4.06
&rst
ixpk= 0, nxpk= 0, iat=1004,1010, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 88 ASN HND2 99 VAL QG2 4.99
&rst
ixpk= 0, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1183,1184,1185,
&end
#
# 88 ASN HND1 98 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1009,1161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 ASN HB2 88 ASN HND1 3.58
&rst
ixpk= 0, nxpk= 0, iat=1004,1009, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 88 ASN HND1 98 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1165,1166,1167,
&end
#
# 88 ASN HND1 99 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1183,1184,1185,
&end
#
# 86 ARG HN 87 LEU HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= 957, 981, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 87 LEU HN 87 LEU HB3 3.25
&rst
ixpk= 0, nxpk= 0, iat= 981, 986, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 87 LEU HN 87 LEU HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 981, 985, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 87 LEU HN 99 VAL QG2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1183,1184,1185,
&end
#
# 56 THR HN 57 THR HN 5.22
&rst
ixpk= 0, nxpk= 0, iat= 515, 529, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 57 THR HN 57 THR QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 535, 536, 537,
&end
#
# 51 GLU HN 53 SER HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= 441, 470, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 53 SER HN 53 SER HA 2.82
&rst
ixpk= 0, nxpk= 0, iat= 470, 472, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 53 SER HN 54 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 470, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ASN HB2 53 SER HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 460, 470, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 49 ALA QB 53 SER HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 411, 412, 413,
&end
#
# 53 SER HN 54 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 494, 495, 496,
&end
#
# 55 GLU HA 56 THR HN 3.00
&rst
ixpk= 0, nxpk= 0, iat= 502, 515, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 54 LEU QD1 56 THR HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 515, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 490, 491, 492,
&end
#
# 69 THR HN 69 THR QG2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 710, 711, 712,
&end
#
# 68 GLY HN 69 THR HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= 697, 704, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 67 ASP HN 69 THR HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 685, 704, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 45 LEU QD1 69 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 344, 345, 346,
&end
#
# 34 LYS HN 70 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 169, 718, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 THR HN 70 GLY HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= 704, 718, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 69 THR HA 70 GLY HN 3.26
&rst
ixpk= 0, nxpk= 0, iat= 706, 718, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 34 LYS HA 70 GLY HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= 171, 718, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 33 MET HB3 70 GLY HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 157, 718, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 33 MET HB2 70 GLY HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 156, 718, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 69 THR QG2 70 GLY HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 710, 711, 712,
&end
#
# 74 PHE HA 76 SER HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 771, 803, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 76 SER HN 77 GLU HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 803, 816, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 74 PHE HB2 76 SER HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 773, 803, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 76 SER HN 79 ILE HB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 803, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 GLY HN 95 SER HN 3.91
&rst
ixpk= 0, nxpk= 0, iat=1106,1113, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 92 PHE HA 94 GLY HN 4.62
&rst
ixpk= 0, nxpk= 0, iat=1064,1106, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 92 PHE HB2 94 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1066,1106, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 GLU HG2 94 GLY HN 4.23
&rst
ixpk= 0, nxpk= 0, iat=1054,1106, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 93 ARG QB 94 GLY HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1086,1087,
&end
#
# 42 TRP HD1 58 PHE HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= 290, 545, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 42 TRP HA 42 TRP HD1 5.26
&rst
ixpk= 0, nxpk= 0, iat= 284, 290, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 34 LYS QG 66 PHE HD 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 176, 177,
igr2= 673, 681,
&end
#
# 44 ASP HA 92 PHE HE 4.77
&rst
ixpk= 0, nxpk= 0, iat= 325, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1072,1076,
&end
#
# 34 LYS HB3 66 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 675, 679,
&end
#
# 45 LEU QD2 92 PHE HE 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 348, 349, 350,
igr2=1072,1076,
&end
#
# 92 PHE HE 97 ILE QD1 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1072,1076,
igr2=1153,1154,1155,
&end
#
# 66 PHE QB 66 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 669, 670,
&end
#
# 61 VAL HA 62 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 587, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ASN HA 66 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 193, 677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLU HA 66 PHE HZ 5.01
&rst
ixpk= 0, nxpk= 0, iat= 240, 677, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 52 ASN HND1 90 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 465,1032, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LEU HB3 52 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 393, 465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LEU QD2 92 PHE HD 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 401, 402, 403,
igr2=1070,1078,
&end
#
# 90 ILE QD1 92 PHE HD 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1=1041,1042,1043,
igr2=1070,1078,
&end
#
# 92 PHE HD 97 ILE HG12 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1070,1078,
&end
#
# 58 PHE HE 60 SER QB 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 553, 557,
igr2= 578, 579,
&end
#
# 29 TYR HD 80 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 82, 91,
&end
#
# 45 LEU HG 92 PHE HZ 5.25
&rst
ixpk= 0, nxpk= 0, iat= 342,1074, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 27 LYS HB2 29 TYR HD 4.91
&rst
ixpk= 0, nxpk= 0, iat= 32, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 82, 91,
&end
#
# 29 TYR HD 31 ILE QG2 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 82, 91,
igr2= 125, 126, 127,
&end
#
# 29 TYR HA 29 TYR HD 4.43
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 82, 91,
&end
#
# 27 LYS HA 29 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 82, 91,
&end
#
# 29 TYR HD 76 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 82, 91,
&end
#
# 42 TRP HH2 46 LYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 358, 359,
&end
#
# 42 TRP HH2 54 LEU HB3 5.10
&rst
ixpk= 0, nxpk= 0, iat= 297, 486, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 42 TRP HH2 72 LEU HG 5.41
&rst
ixpk= 0, nxpk= 0, iat= 297, 742, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 42 TRP HH2 46 LYS HG3 5.41
&rst
ixpk= 0, nxpk= 0, iat= 297, 362, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 42 TRP HH2 46 LYS HG2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 297, 361, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 42 TRP HH2 54 LEU QD1 4.99
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 490, 491, 492,
&end
#
# 42 TRP HH2 46 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 297, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 TRP HH2 72 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 297, 737, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 TRP HH2 58 PHE HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= 297, 545, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 58 PHE HD 73 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 551, 559,
&end
#
# 57 THR HA 58 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 551, 559,
&end
#
# 57 THR HB 58 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 551, 559,
&end
#
# 58 PHE HD 60 SER QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 551, 559,
igr2= 578, 579,
&end
#
# 84 LEU HA 88 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 925,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TYR HE 76 SER HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 84, 89,
&end
#
# 29 TYR HE 80 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 84, 89,
&end
#
# 29 TYR HE 77 GLU HB3 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 84, 89,
&end
#
# 29 TYR HE 31 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 84, 89,
&end
#
# 29 TYR HE 79 ILE HG12 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 84, 89,
&end
#
# 29 TYR HE 31 ILE QG2 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 84, 89,
igr2= 125, 126, 127,
&end
#
# 61 VAL QG1 69 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 591, 592, 593,
&end
#
# 34 LYS HB3 69 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 174, 706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 GLY HA2 69 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 699, 706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 THR QG2 99 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1165,1166,1167,
&end
#
# 84 LEU HA 99 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 925,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ARG HA 80 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 872, 873, 874,
&end
#
# 73 GLU HA 74 PHE HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= 756, 771, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 58 PHE HE 73 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 553, 557,
&end
#
# 29 TYR HD 73 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 82, 91,
&end
#
# 73 GLU HB3 74 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 759, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 PHE HA 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 857, 858, 859,
&end
#
# 31 ILE HA 100 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 121,1191, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE HA 32 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 121, 142, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 THR HA 74 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 517, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLU HG3 56 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 508, 517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 THR HA 79 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 517, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 THR HA 74 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 517, 773, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 PHE HE 60 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 553, 557,
&end
#
# 58 PHE HD 59 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 551, 559,
&end
#
# 97 ILE QG2 98 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1146,1147,1148,
&end
#
# 35 ASN HB2 98 THR HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= 195,1161, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 92 PHE HA 92 PHE HE 4.93
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1072,1076,
&end
#
# 92 PHE HA 97 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1153,1154,1155,
&end
#
# 92 PHE HA 96 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1064,1126, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 ILE HB 92 PHE HA 5.29
&rst
ixpk= 0, nxpk= 0, iat=1032,1064, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 91 GLU HG2 92 PHE HA 5.24
&rst
ixpk= 0, nxpk= 0, iat=1054,1064, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 32 THR HA 33 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 140, 154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 THR HA 34 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 182, 183,
&end
#
# 58 PHE HD 72 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 551, 559,
&end
#
# 54 LEU QD1 72 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 490, 491, 492,
&end
#
# 32 THR HA 99 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1179,1180,1181,
&end
#
# 60 SER QB 72 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 578, 579,
&end
#
# 32 THR QG2 34 LYS HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 144, 145, 146,
&end
#
# 33 MET HA 34 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 154, 171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TYR HA 30 ARG HB3 4.63
&rst
ixpk= 0, nxpk= 0, iat= 76, 100, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 27 LYS QE 29 TYR HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 41, 42,
&end
#
# 58 PHE HA 58 PHE HD 5.24
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 551, 559,
&end
#
# 58 PHE HA 72 LEU QD1 4.41
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 744, 745, 746,
&end
#
# 88 ASN HA 90 ILE QG2 4.10
&rst
ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1034,1035,1036,
&end
#
# 88 ASN HA 99 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1002,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLU QG 40 CYS HA 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 245, 246,
&end
#
# 91 GLU HG3 96 VAL HA 4.97
&rst
ixpk= 0, nxpk= 0, iat=1055,1126, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 96 VAL HA 97 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat=1126,1151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 CYS HA 92 PHE HE 5.49
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1072,1076,
&end
#
# 90 ILE HA 96 VAL QG2 4.91
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1134,1135,1136,
&end
#
# 60 SER QB 61 VAL HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 578, 579,
&end
#
# 47 ASP HA 51 GLU HG3 5.17
&rst
ixpk= 0, nxpk= 0, iat= 378, 449, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 47 ASP HA 51 GLU HG2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 378, 448, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 46 LYS QB 47 ASP HA 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 358, 359,
&end
#
# 50 ARG HD3 55 GLU HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= 428, 502, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 35 ASN HA 66 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 675, 679,
&end
#
# 50 ARG HA 55 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 419, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLU HA 55 GLU HG2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 502, 507, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 34 LYS HB3 35 ASN HA 3.69
&rst
ixpk= 0, nxpk= 0, iat= 174, 193, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 101 ARG HA 101 ARG QG 3.82
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1211,1212,
&end
#
# 34 LYS HD2 35 ASN HA 3.83
&rst
ixpk= 0, nxpk= 0, iat= 179, 193, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 34 LYS QG 35 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 176, 177,
&end
#
# 35 ASN HA 98 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 193, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1165,1166,1167,
&end
#
# 34 LYS HB2 69 THR HB 4.44
&rst
ixpk= 0, nxpk= 0, iat= 173, 708, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 34 LYS HB3 69 THR HB 4.08
&rst
ixpk= 0, nxpk= 0, iat= 174, 708, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 76 SER HA 78 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 805, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 SER HB3 61 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 276, 589, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 LYS QD 28 ARG HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 38, 39,
&end
#
# 34 LYS HD3 98 THR HB 4.42
&rst
ixpk= 0, nxpk= 0, iat= 180,1163, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 28 ARG HA 29 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 84, 89,
&end
#
# 34 LYS HD2 98 THR HB 4.14
&rst
ixpk= 0, nxpk= 0, iat= 179,1163, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 85 GLU HA 86 ARG QD 4.67
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 967, 968,
&end
#
# 42 TRP HD1 43 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 290, 308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 GLY HA3 69 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 700, 706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 VAL QG1 68 GLY HA3 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 591, 592, 593,
&end
#
# 39 GLY HA3 66 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 256, 677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 LYS HA 27 LYS QE 5.39
&rst
ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 41, 42,
&end
#
# 41 SER HA 42 TRP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 273, 284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 ARG HA 50 ARG HD3 4.71
&rst
ixpk= 0, nxpk= 0, iat= 419, 428, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 50 ARG HA 50 ARG HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 419, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 TRP HA 61 VAL HB 4.10
&rst
ixpk= 0, nxpk= 0, iat= 284, 589, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 29 TYR HE 76 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 84, 89,
&end
#
# 32 THR HB 102 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 142,1230, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 SER HB3 96 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1118,1126, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LEU HA 92 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1072,1076,
&end
#
# 48 LEU HA 92 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1070,1078,
&end
#
# 48 LEU HA 92 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 390,1074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 LEU HA 51 GLU HB2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 390, 445, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 81 VAL HA 82 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 884, 900, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ALA HA 54 LEU HG 4.27
&rst
ixpk= 0, nxpk= 0, iat= 409, 488, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 61 VAL HB 70 GLY QA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 720, 721,
&end
#
# 33 MET HG3 70 GLY QA 5.28
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 720, 721,
&end
#
# 44 ASP HB2 45 LEU HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= 327, 337, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 45 LEU HA 49 ALA QB 4.54
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 411, 412, 413,
&end
#
# 45 LEU HA 92 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1072,1076,
&end
#
# 45 LEU HA 92 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 337,1074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 SER HB2 61 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 595, 596, 597,
&end
#
# 40 CYS HB3 45 LEU HA 5.43
&rst
ixpk= 0, nxpk= 0, iat= 265, 337, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 45 LEU HA 45 LEU QD2 5.32
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 348, 349, 350,
&end
#
# 42 TRP HZ2 59 SER HB3 4.94
&rst
ixpk= 0, nxpk= 0, iat= 295, 568, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 42 TRP HZ3 59 SER HB3 5.20
&rst
ixpk= 0, nxpk= 0, iat= 299, 568, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 78 GLU HA 82 GLU HG2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 831, 905, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 42 TRP HH2 59 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 297, 568, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 LEU HA 88 ASN HA 4.61
&rst
ixpk= 0, nxpk= 0, iat= 925,1002, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 76 SER HB2 78 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 807, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TYR HE 76 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 84, 89,
&end
#
# 76 SER HB2 78 GLU HB2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 807, 833, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 66 PHE HE 68 GLY HA2 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 675, 679,
&end
#
# 59 SER HB2 70 GLY QA 4.53
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 720, 721,
&end
#
# 95 SER HB2 96 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1117,1126, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 PHE HB3 95 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1067,1117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 GLU HG2 94 GLY HA2 4.82
&rst
ixpk= 0, nxpk= 0, iat=1054,1108, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 39 GLY HA2 69 THR QG2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 710, 711, 712,
&end
#
# 39 GLY HA2 66 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 675, 679,
&end
#
# 39 GLY HA2 66 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= 255, 677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ASN HB3 97 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 196,1150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 TRP HB3 61 VAL QG2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 595, 596, 597,
&end
#
# 43 GLN HA 44 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 308, 328, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
# 040507 5.5-6, 6-6.5
#
# 40 CYS HB3 44 ASP HB3 4.51
&rst
ixpk= 0, nxpk= 0, iat= 265, 328, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 44 ASP HB3 45 LEU QD2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 348, 349, 350,
&end
#
# 44 ASP HB3 45 LEU QD1 5.45
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 344, 345, 346,
&end
#
# 44 ASP HB3 92 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1072,1076,
&end
#
# 42 TRP HZ2 50 ARG HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 295, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 TRP HH2 50 ARG HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 297, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 LYS HG2 50 ARG HD3 4.74
&rst
ixpk= 0, nxpk= 0, iat= 361, 428, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 80 LEU QD1 101 ARG HD3 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1215, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 872, 873, 874,
&end
#
# 30 ARG QD 73 GLU QG 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 105, 106,
igr2= 761, 762,
&end
#
# 29 TYR HB3 77 GLU HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= 79, 816, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 30 ARG QD 73 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 105, 106,
&end
#
# 30 ARG QD 31 ILE HG13 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 130, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 105, 106,
&end
#
# 101 ARG HD2 104 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1214,1261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE QG2 80 LEU HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 125, 126, 127,
&end
#
# 42 TRP HB2 61 VAL QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 595, 596, 597,
&end
#
# 80 LEU HA 84 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 936, 937, 938,
&end
#
# 79 ILE QG2 80 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 850, 851, 852,
&end
#
# 29 TYR HE 80 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 84, 89,
&end
#
# 80 LEU HA 84 LEU HG 4.86
&rst
ixpk= 0, nxpk= 0, iat= 865, 930, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 42 TRP HB2 43 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 286, 308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 ASP HB3 66 PHE QB 4.10
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 669, 670,
&end
#
# 42 TRP HH2 46 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 297, 365, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 CYS HB3 45 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 344, 345, 346,
&end
#
# 83 ALA HA 86 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 967, 968,
&end
#
# 40 CYS HB3 92 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1070,1078,
&end
#
# 88 ASN HND1 89 ASN HB3 5.47
&rst
ixpk= 0, nxpk= 0, iat=1009,1019, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 27 LYS QE 29 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 41, 42,
igr2= 84, 89,
&end
#
# 88 ASN HB3 90 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1034,1035,1036,
&end
#
# 29 TYR HB2 73 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 78, 756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 ASN HB2 99 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1179,1180,1181,
&end
#
# 34 LYS HA 35 ASN HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 171, 195, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 41 SER HB3 62 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 276, 605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ASP HB2 92 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1072,1076,
&end
#
# 52 ASN HB3 86 ARG HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 461, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 ASP HB2 45 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 344, 345, 346,
&end
#
# 74 PHE HB2 79 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 773, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ARG HA 102 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 97,1233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ARG QD 102 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 105, 106,
&end
#
# 43 GLN QG 44 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 325, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 313, 314,
&end
#
# 30 ARG QD 102 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 105, 106,
&end
#
# 49 ALA HA 52 ASN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 409, 460, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLU HG3 79 ILE QD1 5.29
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 857, 858, 859,
&end
#
# 57 THR HB 58 PHE HB2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 533, 547, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 33 MET HG3 72 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 160, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 MET HG3 99 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 160,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 MET HG2 99 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 159,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 LEU HA 85 GLU HG3 5.10
&rst
ixpk= 0, nxpk= 0, iat= 925, 950, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 55 GLU HG2 56 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 507, 517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TYR HD 80 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 82, 91,
&end
#
# 38 GLU QG 40 CYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 245, 246,
&end
#
# 38 GLU QG 92 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 245, 246,
igr2=1070,1078,
&end
#
# 29 TYR HD 73 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 82, 91,
igr2= 761, 762,
&end
#
# 58 PHE HD 73 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 551, 559,
igr2= 761, 762,
&end
#
# 29 TYR HE 73 GLU QG 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 84, 89,
igr2= 761, 762,
&end
#
# 73 GLU QG 74 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 761, 762,
&end
#
# 30 ARG HA 73 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 761, 762,
&end
#
# 91 GLU HB3 92 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1052,1064, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 GLU HB3 96 VAL HA 4.78
&rst
ixpk= 0, nxpk= 0, iat=1052,1126, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 42 TRP HZ3 45 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 299, 340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 LEU HB3 59 SER HB3 5.01
&rst
ixpk= 0, nxpk= 0, iat= 340, 568, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 101 ARG HB2 101 ARG HD2 4.20
&rst
ixpk= 0, nxpk= 0, iat=1208,1214, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 33 MET QE 42 TRP HZ3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 163, 164, 165,
&end
#
# 33 MET QE 71 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 163, 164, 165,
&end
#
# 48 LEU QD1 90 ILE HB 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 397, 398, 399,
&end
#
# 33 MET QE 99 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 163, 164, 165,
&end
#
# 33 MET QE 45 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 163, 164, 165,
&end
#
# 83 ALA HA 86 ARG HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 915, 964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 ARG QG 104 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1211,1212,
&end
#
# 33 MET HA 34 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 154, 173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 LYS QD 29 TYR HB2 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 78, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 38, 39,
&end
#
# 92 PHE HD 93 ARG QB 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1070,1078,
igr2=1086,1087,
&end
#
# 45 LEU HG 92 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1072,1076,
&end
#
# 33 MET HG3 72 LEU HG 5.11
&rst
ixpk= 0, nxpk= 0, iat= 160, 742, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 48 LEU QD1 97 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 397, 398, 399,
&end
#
# 33 MET HB2 69 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 156, 706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 LYS HB3 77 GLU HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 33, 819, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 34 LYS HD3 35 ASN HA 5.18
&rst
ixpk= 0, nxpk= 0, iat= 180, 193, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 34 LYS HD3 35 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 180, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 TYR HE 80 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 84, 89,
&end
#
# 31 ILE HG13 33 MET HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 130, 160, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 ASP HB3 69 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 658, 706, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 GLU HA 79 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 831, 855, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 ASP HB3 66 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 675, 679,
&end
#
# 42 TRP HZ2 46 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 295, 361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 THR HB 71 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 729, 730, 731,
&end
#
# 48 LEU QD1 90 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 397, 398, 399,
&end
#
# 32 THR HA 34 LYS QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 176, 177,
&end
#
# 34 LYS QG 66 PHE HE 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 176, 177,
igr2= 675, 679,
&end
#
# 34 LYS QG 66 PHE QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 176, 177,
igr2= 669, 670,
&end
#
# 32 THR QG2 69 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 706, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 144, 145, 146,
&end
#
# 32 THR QG2 100 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 144, 145, 146,
igr2=1196,1197,
&end
#
# 27 LYS QG 29 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 35, 36,
igr2= 82, 91,
&end
#
# 74 PHE HA 79 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 850, 851, 852,
&end
#
# 29 TYR HE 79 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 84, 89,
igr2= 850, 851, 852,
&end
#
# 92 PHE HE 97 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1072,1076,
igr2=1146,1147,1148,
&end
#
# 29 TYR HE 80 LEU QD1 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 84, 89,
igr2= 872, 873, 874,
&end
#
# 80 LEU QD1 101 ARG HB3 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 872, 873, 874,
&end
#
# 80 LEU QD1 100 GLU HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 872, 873, 874,
&end
#
# 45 LEU QD2 48 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 348, 349, 350,
igr2= 397, 398, 399,
&end
#
# 31 ILE QD1 99 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 132, 133, 134,
&end
#
# 31 ILE QD1 72 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 132, 133, 134,
&end
#
# 84 LEU QD1 100 GLU HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 932, 933, 934,
&end
#
# 31 ILE QD1 33 MET HG3 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 132, 133, 134,
&end
#
# 42 TRP HD1 61 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 595, 596, 597,
&end
#
# 35 ASN HB3 96 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1130,1131,1132,
&end
#
# 35 ASN HND1 96 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1130,1131,1132,
&end
#
# 45 LEU HA 87 LEU QD2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 994, 995, 996,
&end
#
# 89 ASN HB2 90 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1034,1035,1036,
&end
#
# 48 LEU QD1 87 LEU QD2 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
igr1= 397, 398, 399,
igr2= 994, 995, 996,
&end
#
# 83 ALA HA 87 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 994, 995, 996,
&end
#
# 52 ASN HND1 90 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1034,1035,1036,
&end
#
# 83 ALA HA 99 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1183,1184,1185,
&end
#
# 33 MET HG3 99 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1183,1184,1185,
&end
#
# 87 LEU HB2 99 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1183,1184,1185,
&end
#
# 87 LEU HA 99 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1183,1184,1185,
&end
#
# 42 TRP HH2 45 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 344, 345, 346,
&end
#
# 29 TYR HE 84 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 84, 89,
igr2= 936, 937, 938,
&end
#
# 83 ALA HA 84 LEU QD2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 936, 937, 938,
&end
#
# 92 PHE HZ 97 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1153,1154,1155,
&end
#
# 92 PHE HB3 97 ILE QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1153,1154,1155,
&end
#
# 49 ALA HA 54 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 494, 495, 496,
&end
#
# 86 ARG HA 87 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 990, 991, 992,
&end
#
# 48 LEU QD2 92 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 401, 402, 403,
&end
#
# 45 LEU HA 48 LEU QD2 5.46
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 401, 402, 403,
&end
#
# 48 LEU QD2 92 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 401, 402, 403,
&end
#
# 48 LEU QD2 92 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 401, 402, 403,
&end
#
# 48 LEU QD1 97 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 397, 398, 399,
&end
#
# 48 LEU QD1 92 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 397, 398, 399,
&end
#
# 48 LEU QD1 92 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 397, 398, 399,
&end
#
# 48 LEU QD1 87 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 397, 398, 399,
&end
#
# 48 LEU QD1 93 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 397, 398, 399,
&end
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