NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
615217 |
5gvq   |
36018 | cing | 1-original | 7 | AMBER | distance | NOE | simple |
#
# 9 ILE HA 11 GLU- HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 85, 113, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
&end
#
# 9 ILE HA 9 ILE HG12 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 85, 93, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 9 ILE HA 9 ILE HG13 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 85, 94, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 9 ILE HA 9 ILE QD1 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 96, 97, 98,
&end
#
# 9 ILE HA 9 ILE QG1 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 93, 94,
&end
#
# 9 ILE HA 9 ILE QG2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 89, 90, 91,
&end
#
# 9 ILE HB 11 GLU- HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 87, 113, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 9 ILE HB 9 ILE QD1 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 96, 97, 98,
&end
#
# 9 ILE HN 9 ILE QG2 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 89, 90, 91,
&end
#
# 9 ILE QG1 11 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 93, 94,
&end
#
# 9 ILE QG2 9 ILE HG12 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 89, 90, 91,
&end
#
# 9 ILE QG2 9 ILE HG13 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 89, 90, 91,
&end
#
# 9 ILE QG2 9 ILE QG1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 89, 90, 91,
igr2= 93, 94,
&end
#
# 11 GLU- HA 11 GLU- HG2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 115, 120, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 11 GLU- HA 11 GLU- HG3 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 115, 121, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 11 GLU- QG 12 ARG+ HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 120, 121,
&end
#
# 12 ARG+ HA 12 ARG+ HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 130, 138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG+ HA 12 ARG+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 130, 139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 ARG+ HA 12 ARG+ QD 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 138, 139,
&end
#
# 12 ARG+ HA 12 ARG+ QG 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 135, 136,
&end
#
# 12 ARG+ HN 12 ARG+ HG2 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 128, 135, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 12 ARG+ HN 12 ARG+ HG3 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 128, 136, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 12 ARG+ HN 12 ARG+ QB 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 132, 133,
&end
#
# 12 ARG+ HN 12 ARG+ QG 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 135, 136,
&end
#
# 13 ASN HB2 16 ALA QB 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 199, 200, 201,
&end
#
# 13 ASN HB3 16 ALA QB 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 199, 200, 201,
&end
#
# 13 ASN QB 13 ASN QD2 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 156, 157,
igr2= 161, 162,
&end
#
# 13 ASN QB 16 ALA QB 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 156, 157,
igr2= 199, 200, 201,
&end
#
# 13 ASN QD2 16 ALA QB 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 161, 162,
igr2= 199, 200, 201,
&end
#
# 14 GLN HA 16 ALA HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 168, 195, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 14 GLN HA 17 THR HN 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 168, 205, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 14 GLN HA 17 THR QG2 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 211, 212, 213,
&end
#
# 14 GLN HB2 15 ASP- HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 170, 183, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 14 GLN HB3 15 ASP- HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 171, 183, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 14 GLN HN 14 GLN QB 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 170, 171,
&end
#
# 14 GLN HN 14 GLN QG 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 173, 174,
&end
#
# 14 GLN QB 92 ALA QB 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 170, 171,
igr2=1407,1408,1409,
&end
#
# 14 GLN QB 93 SER HA 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 170, 171,
&end
#
# 14 GLN QG 17 THR QG2 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 173, 174,
igr2= 211, 212, 213,
&end
#
# 14 GLN QG 92 ALA QB 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 173, 174,
igr2=1407,1408,1409,
&end
#
# 14 GLN QG 93 SER HA 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 173, 174,
&end
#
# 15 ASP- HN 15 ASP- HB2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 183, 187, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 15 ASP- HN 15 ASP- HB3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 183, 188, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 15 ASP- HN 15 ASP- QB 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 187, 188,
&end
#
# 15 ASP- HN 16 ALA HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 183, 195, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 15 ASP- HN 17 THR HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 183, 205, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 15 ASP- QB 16 ALA HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 187, 188,
&end
#
# 15 ASP- QB 67 GLU- QB 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 187, 188,
igr2= 987, 988,
&end
#
# 15 ASP- QB 67 GLU- QG 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 187, 188,
igr2= 990, 991,
&end
#
# 16 ALA HA 64 PHE QD 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 941, 949,
&end
#
# 16 ALA HA 67 GLU- HA 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 197, 985, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 16 ALA HA 67 GLU- QB 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 987, 988,
&end
#
# 16 ALA HA 67 GLU- QG 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 990, 991,
&end
#
# 16 ALA HA 70 ALA HN 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= 197,1025, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 16 ALA HA 70 ALA QB 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1029,1030,1031,
&end
#
# 16 ALA HA 71 ASP- HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 197,1035, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 16 ALA HN 16 ALA QB 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 199, 200, 201,
&end
#
# 16 ALA HN 70 ALA QB 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1029,1030,1031,
&end
#
# 16 ALA QB 17 THR HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 199, 200, 201,
&end
#
# 16 ALA QB 64 PHE HB2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 199, 200, 201,
&end
#
# 16 ALA QB 64 PHE HB3 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 199, 200, 201,
&end
#
# 16 ALA QB 64 PHE HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 199, 200, 201,
&end
#
# 16 ALA QB 64 PHE QD 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 199, 200, 201,
igr2= 941, 949,
&end
#
# 16 ALA QB 66 SER HA 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 199, 200, 201,
&end
#
# 16 ALA QB 66 SER HB3 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 199, 200, 201,
&end
#
# 16 ALA QB 66 SER HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 199, 200, 201,
&end
#
# 16 ALA QB 67 GLU- HA 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 199, 200, 201,
&end
#
# 16 ALA QB 67 GLU- HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 199, 200, 201,
&end
#
# 16 ALA QB 67 GLU- HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 199, 200, 201,
&end
#
# 16 ALA QB 67 GLU- HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 199, 200, 201,
&end
#
# 16 ALA QB 67 GLU- QG 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 199, 200, 201,
igr2= 990, 991,
&end
#
# 16 ALA QB 70 ALA HN 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 199, 200, 201,
&end
#
# 17 THR HA 17 THR QG2 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 211, 212, 213,
&end
#
# 17 THR HA 18 VAL HN 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 207, 219, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 17 THR HA 18 VAL QG2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 229, 230, 231,
&end
#
# 17 THR HA 62 VAL HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 207, 902, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 17 THR HA 63 GLU- HA 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 207, 920, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 17 THR HA 63 GLU- HB2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 207, 922, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 17 THR HA 63 GLU- QG 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 925, 926,
&end
#
# 17 THR HA 64 PHE HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 207, 933, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 THR HA 64 PHE QD 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 941, 949,
&end
#
# 17 THR HA 70 ALA QB 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1029,1030,1031,
&end
#
# 17 THR HB 18 VAL HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 209, 219, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 17 THR HB 92 ALA HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 209,1403, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 17 THR HB 92 ALA QB 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1407,1408,1409,
&end
#
# 17 THR HN 17 THR HB 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 205, 209, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 17 THR HN 17 THR QG2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 211, 212, 213,
&end
#
# 17 THR HN 18 VAL HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 205, 219, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 17 THR HN 70 ALA QB 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1029,1030,1031,
&end
#
# 17 THR QG2 18 VAL HA 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 221, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 211, 212, 213,
&end
#
# 17 THR QG2 18 VAL HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 211, 212, 213,
&end
#
# 17 THR QG2 18 VAL HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 211, 212, 213,
&end
#
# 17 THR QG2 46 HIS HB2 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 211, 212, 213,
&end
#
# 17 THR QG2 61 PHE HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 211, 212, 213,
&end
#
# 17 THR QG2 61 PHE HB2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 211, 212, 213,
&end
#
# 17 THR QG2 61 PHE HB3 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 211, 212, 213,
&end
#
# 17 THR QG2 61 PHE QB 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 211, 212, 213,
igr2= 886, 887,
&end
#
# 17 THR QG2 61 PHE QD 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 211, 212, 213,
igr2= 890, 898,
&end
#
# 17 THR QG2 62 VAL HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 211, 212, 213,
&end
#
# 17 THR QG2 62 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 211, 212, 213,
igr2= 908, 909, 910,
&end
#
# 17 THR QG2 62 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 211, 212, 213,
igr2= 912, 913, 914,
&end
#
# 17 THR QG2 63 GLU- HB2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 211, 212, 213,
&end
#
# 17 THR QG2 63 GLU- HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 925, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 211, 212, 213,
&end
#
# 17 THR QG2 63 GLU- HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 211, 212, 213,
&end
#
# 17 THR QG2 64 PHE HN 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 211, 212, 213,
&end
#
# 17 THR QG2 92 ALA QB 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 211, 212, 213,
igr2=1407,1408,1409,
&end
#
# 18 VAL HA 18 VAL QG1 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 225, 226, 227,
&end
#
# 18 VAL HA 18 VAL QG2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 229, 230, 231,
&end
#
# 18 VAL HA 19 TYR HB2 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= 221, 239, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 18 VAL HA 19 TYR HB3 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 221, 240, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 18 VAL HA 19 TYR HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 221, 235, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 18 VAL HA 90 ASN HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 221,1367, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 18 VAL HA 91 LYS+ HA 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 221,1383, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 18 VAL HA 92 ALA HA 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 221,1405, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 18 VAL HA 92 ALA HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 221,1403, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 18 VAL HA 92 ALA QB 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1407,1408,1409,
&end
#
# 18 VAL HB 19 TYR HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 223, 235, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 18 VAL HB 74 ILE QD1 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1091,1092,1093,
&end
#
# 18 VAL HB 89 VAL QG1 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1357,1358,1359,
&end
#
# 18 VAL HB 90 ASN HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 223,1367, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 18 VAL HN 18 VAL QG1 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 225, 226, 227,
&end
#
# 18 VAL HN 18 VAL QG2 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 229, 230, 231,
&end
#
# 18 VAL HN 61 PHE HA 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 219, 884, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 18 VAL HN 62 VAL HB 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 219, 906, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 18 VAL HN 62 VAL HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 219, 902, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 18 VAL HN 64 PHE HN 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat= 219, 933, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 18 VAL HN 92 ALA QB 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1407,1408,1409,
&end
#
# 18 VAL QG1 62 VAL HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 225, 226, 227,
&end
#
# 18 VAL QG1 62 VAL QG1 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 225, 226, 227,
igr2= 908, 909, 910,
&end
#
# 18 VAL QG1 64 PHE QE 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 225, 226, 227,
igr2= 943, 947,
&end
#
# 18 VAL QG1 70 ALA HA 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 225, 226, 227,
&end
#
# 18 VAL QG1 70 ALA QB 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 225, 226, 227,
igr2=1029,1030,1031,
&end
#
# 18 VAL QG1 73 ALA QB 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 225, 226, 227,
igr2=1072,1073,1074,
&end
#
# 18 VAL QG1 74 ILE HG13 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 225, 226, 227,
&end
#
# 18 VAL QG1 74 ILE HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 225, 226, 227,
&end
#
# 18 VAL QG1 91 LYS+ HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 225, 226, 227,
&end
#
# 18 VAL QG1 91 LYS+ QE 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 225, 226, 227,
igr2=1394,1395,
&end
#
# 18 VAL QG1 92 ALA HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 225, 226, 227,
&end
#
# 18 VAL QG1 92 ALA QB 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 225, 226, 227,
igr2=1407,1408,1409,
&end
#
# 18 VAL QG2 19 TYR HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 229, 230, 231,
&end
#
# 18 VAL QG2 20 VAL QG2 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 229, 230, 231,
igr2= 266, 267, 268,
&end
#
# 18 VAL QG2 36 PHE QD 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 229, 230, 231,
igr2= 514, 522,
&end
#
# 18 VAL QG2 36 PHE QE 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 229, 230, 231,
igr2= 516, 520,
&end
#
# 18 VAL QG2 61 PHE HA 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 229, 230, 231,
&end
#
# 18 VAL QG2 62 VAL HA 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 229, 230, 231,
&end
#
# 18 VAL QG2 62 VAL HB 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 229, 230, 231,
&end
#
# 18 VAL QG2 62 VAL HN 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 229, 230, 231,
&end
#
# 18 VAL QG2 62 VAL QG2 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 229, 230, 231,
igr2= 912, 913, 914,
&end
#
# 18 VAL QG2 64 PHE HZ 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 229, 230, 231,
&end
#
# 18 VAL QG2 64 PHE QD 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 229, 230, 231,
igr2= 941, 949,
&end
#
# 18 VAL QG2 64 PHE QE 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 229, 230, 231,
igr2= 943, 947,
&end
#
# 18 VAL QG2 70 ALA HA 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 229, 230, 231,
&end
#
# 18 VAL QG2 74 ILE HG13 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 229, 230, 231,
&end
#
# 18 VAL QG2 90 ASN HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 229, 230, 231,
&end
#
# 19 TYR HA 19 TYR QD 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 243, 252,
&end
#
# 19 TYR HA 20 VAL HN 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 237, 256, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 19 TYR HA 20 VAL QG2 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 266, 267, 268,
&end
#
# 19 TYR HA 61 PHE HA 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 237, 884, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 19 TYR HA 61 PHE QD 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 890, 898,
&end
#
# 19 TYR HA 62 VAL HN 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= 237, 902, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 19 TYR HA 92 ALA QB 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1407,1408,1409,
&end
#
# 19 TYR HB2 20 VAL HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 239, 256, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 TYR HB2 61 PHE QE 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 892, 896,
&end
#
# 19 TYR HB2 92 ALA HA 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 239,1405, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 19 TYR HB2 92 ALA QB 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1407,1408,1409,
&end
#
# 19 TYR HB3 20 VAL HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 240, 256, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 19 TYR HB3 89 VAL QG1 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1357,1358,1359,
&end
#
# 19 TYR HB3 90 ASN HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 240,1367, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 19 TYR HN 19 TYR HB3 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 235, 240, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 19 TYR HN 19 TYR QD 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 243, 252,
&end
#
# 19 TYR HN 91 LYS+ HA 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 235,1383, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 19 TYR HN 92 ALA HA 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 235,1405, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 19 TYR HN 92 ALA HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 235,1403, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 19 TYR HN 92 ALA QB 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1407,1408,1409,
&end
#
# 19 TYR QD 20 VAL HA 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 243, 252,
&end
#
# 19 TYR QD 20 VAL HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 243, 252,
&end
#
# 19 TYR QD 21 GLY HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 243, 252,
&end
#
# 19 TYR QD 61 PHE HZ 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 243, 252,
&end
#
# 19 TYR QD 61 PHE QD 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 243, 252,
igr2= 890, 898,
&end
#
# 19 TYR QD 61 PHE QE 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 243, 252,
igr2= 892, 896,
&end
#
# 19 TYR QD 90 ASN HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 243, 252,
&end
#
# 19 TYR QD 90 ASN QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 243, 252,
igr2=1371,1372,
&end
#
# 19 TYR QD 92 ALA HA 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 243, 252,
&end
#
# 19 TYR QD 92 ALA QB 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 243, 252,
igr2=1407,1408,1409,
&end
#
# 19 TYR QE 21 GLY HA2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 245, 250,
&end
#
# 19 TYR QE 21 GLY HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 245, 250,
&end
#
# 19 TYR QE 59 TYR HB2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 245, 250,
&end
#
# 19 TYR QE 59 TYR HB3 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 245, 250,
&end
#
# 19 TYR QE 59 TYR QB 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 245, 250,
igr2= 858, 859,
&end
#
# 19 TYR QE 59 TYR QD 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 245, 250,
igr2= 862, 871,
&end
#
# 19 TYR QE 59 TYR QE 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 245, 250,
igr2= 864, 869,
&end
#
# 19 TYR QE 61 PHE HZ 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 245, 250,
&end
#
# 20 VAL HA 20 VAL QG1 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 262, 263, 264,
&end
#
# 20 VAL HA 20 VAL QG2 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 266, 267, 268,
&end
#
# 20 VAL HA 21 GLY HN 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 258, 272, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 20 VAL HA 23 LEU QD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 299, 300, 301,
&end
#
# 20 VAL HA 87 ILE HB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 258,1312, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 20 VAL HA 87 ILE QD1 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1321,1322,1323,
&end
#
# 20 VAL HA 88 ARG+ HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 258,1327, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 20 VAL HA 89 VAL HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 258,1353, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 20 VAL HA 89 VAL QG1 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1357,1358,1359,
&end
#
# 20 VAL HA 89 VAL QG2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1361,1362,1363,
&end
#
# 20 VAL HB 21 GLY HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 260, 272, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 20 VAL HB 23 LEU QD1 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 295, 296, 297,
&end
#
# 20 VAL HB 23 LEU QD2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 299, 300, 301,
&end
#
# 20 VAL HB 36 PHE HZ 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 260, 518, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 VAL HB 60 GLY HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 260, 875, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 20 VAL HN 20 VAL HB 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 256, 260, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 20 VAL HN 20 VAL QG1 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 262, 263, 264,
&end
#
# 20 VAL HN 20 VAL QG2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 266, 267, 268,
&end
#
# 20 VAL HN 21 GLY HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 256, 272, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 20 VAL HN 59 TYR QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 858, 859,
&end
#
# 20 VAL HN 60 GLY HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 256, 875, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 20 VAL HN 61 PHE HA 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 256, 884, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 20 VAL QG1 21 GLY HN 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 262, 263, 264,
&end
#
# 20 VAL QG1 22 GLY HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 279, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 262, 263, 264,
&end
#
# 20 VAL QG1 23 LEU HG 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 293, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 262, 263, 264,
&end
#
# 20 VAL QG1 23 LEU QD1 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 262, 263, 264,
igr2= 295, 296, 297,
&end
#
# 20 VAL QG1 36 PHE HZ 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 262, 263, 264,
&end
#
# 20 VAL QG1 36 PHE QE 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 262, 263, 264,
igr2= 516, 520,
&end
#
# 20 VAL QG1 59 TYR HA 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 262, 263, 264,
&end
#
# 20 VAL QG1 60 GLY HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 262, 263, 264,
&end
#
# 20 VAL QG1 62 VAL QG2 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 262, 263, 264,
igr2= 912, 913, 914,
&end
#
# 20 VAL QG1 87 ILE HB 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 262, 263, 264,
&end
#
# 20 VAL QG1 87 ILE QD1 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 262, 263, 264,
igr2=1321,1322,1323,
&end
#
# 20 VAL QG1 88 ARG+ HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 262, 263, 264,
&end
#
# 20 VAL QG1 89 VAL HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 262, 263, 264,
&end
#
# 20 VAL QG1 89 VAL QG2 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 262, 263, 264,
igr2=1361,1362,1363,
&end
#
# 20 VAL QG2 21 GLY HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 266, 267, 268,
&end
#
# 20 VAL QG2 36 PHE HZ 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 266, 267, 268,
&end
#
# 20 VAL QG2 36 PHE QE 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 266, 267, 268,
igr2= 516, 520,
&end
#
# 20 VAL QG2 61 PHE HA 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 266, 267, 268,
&end
#
# 20 VAL QG2 62 VAL HB 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 266, 267, 268,
&end
#
# 20 VAL QG2 62 VAL HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 266, 267, 268,
&end
#
# 20 VAL QG2 62 VAL QG2 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 266, 267, 268,
igr2= 912, 913, 914,
&end
#
# 20 VAL QG2 87 ILE QD1 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 266, 267, 268,
igr2=1321,1322,1323,
&end
#
# 20 VAL QG2 89 VAL HA 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 266, 267, 268,
&end
#
# 20 VAL QG2 89 VAL QG1 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 266, 267, 268,
igr2=1357,1358,1359,
&end
#
# 20 VAL QG2 89 VAL QG2 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 266, 267, 268,
igr2=1361,1362,1363,
&end
#
# 21 GLY HA2 23 LEU QD1 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 295, 296, 297,
&end
#
# 21 GLY HA2 59 TYR HA 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 274, 856, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 21 GLY HA2 59 TYR HB2 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 274, 858, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 21 GLY HA2 59 TYR HB3 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 274, 859, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 21 GLY HA2 59 TYR QB 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 858, 859,
&end
#
# 21 GLY HA3 22 GLY HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 275, 279, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 GLY HA3 59 TYR HA 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 275, 856, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 21 GLY HA3 59 TYR HB2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 275, 858, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 21 GLY HA3 59 TYR HB3 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 275, 859, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 21 GLY HA3 59 TYR QB 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 858, 859,
&end
#
# 21 GLY HN 22 GLY HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 272, 279, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 21 GLY HN 88 ARG+ HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 272,1327, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 21 GLY HN 89 VAL HA 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 272,1353, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 21 GLY HN 89 VAL QG2 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1361,1362,1363,
&end
#
# 22 GLY HA2 23 LEU HG 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= 281, 293, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 22 GLY HA2 87 ILE HA 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 281,1310, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 22 GLY HA2 87 ILE QG2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1314,1315,1316,
&end
#
# 22 GLY HA3 87 ILE HA 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 282,1310, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 22 GLY HA3 87 ILE QG2 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1314,1315,1316,
&end
#
# 22 GLY HA3 88 ARG+ HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 282,1327, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 22 GLY HN 23 LEU HG 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 279, 293, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 22 GLY HN 23 LEU HN 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 279, 286, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 22 GLY HN 23 LEU QD1 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 295, 296, 297,
&end
#
# 22 GLY HN 59 TYR HA 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 279, 856, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 22 GLY HN 59 TYR HB2 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 279, 858, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 22 GLY HN 59 TYR HB3 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 279, 859, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 23 LEU HA 23 LEU QD1 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 295, 296, 297,
&end
#
# 23 LEU HA 23 LEU QD2 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 299, 300, 301,
&end
#
# 23 LEU HA 24 ASP- HB2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 288, 309, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 23 LEU HA 24 ASP- HB3 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 288, 310, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 23 LEU HA 24 ASP- HN 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 288, 305, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 23 LEU HA 27 VAL HB 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 288, 358, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 23 LEU HA 27 VAL QG2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 364, 365, 366,
&end
#
# 23 LEU HA 82 LEU QD2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1238,1239,1240,
&end
#
# 23 LEU HA 87 ILE QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1321,1322,1323,
&end
#
# 23 LEU HA 87 ILE QG2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1314,1315,1316,
&end
#
# 23 LEU HB2 23 LEU QD1 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 295, 296, 297,
&end
#
# 23 LEU HB2 27 VAL HB 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 290, 358, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 23 LEU HB2 47 MET QE 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 681, 682, 683,
&end
#
# 23 LEU HB2 56 HIS HE1 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 290, 822, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 23 LEU HB2 58 GLY HA2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 290, 849, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 23 LEU HB2 58 GLY HA3 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 290, 850, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 23 LEU HB3 23 LEU QD1 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 295, 296, 297,
&end
#
# 23 LEU HB3 27 VAL HB 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 291, 358, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 23 LEU HB3 27 VAL HN 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= 291, 354, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 23 LEU HB3 56 HIS HE1 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 291, 822, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 23 LEU HB3 58 GLY HA2 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= 291, 849, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 23 LEU HG 59 TYR HA 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 293, 856, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 23 LEU HN 23 LEU HB2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 286, 290, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 23 LEU HN 23 LEU HB3 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 286, 291, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 23 LEU HN 23 LEU HG 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 286, 293, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 23 LEU HN 23 LEU QD1 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 295, 296, 297,
&end
#
# 23 LEU HN 23 LEU QD2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 299, 300, 301,
&end
#
# 23 LEU HN 24 ASP- HA 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 286, 307, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 23 LEU HN 24 ASP- HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 286, 305, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 23 LEU HN 58 GLY HA2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 286, 849, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 23 LEU HN 58 GLY HA3 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 286, 850, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 23 LEU HN 59 TYR HA 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 286, 856, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 23 LEU HN 87 ILE QG2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1314,1315,1316,
&end
#
# 23 LEU QD1 27 VAL HB 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 295, 296, 297,
&end
#
# 23 LEU QD1 27 VAL QG1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 295, 296, 297,
igr2= 360, 361, 362,
&end
#
# 23 LEU QD1 27 VAL QG2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 295, 296, 297,
igr2= 364, 365, 366,
&end
#
# 23 LEU QD1 32 LEU QD1 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 295, 296, 297,
igr2= 438, 439, 440,
&end
#
# 23 LEU QD1 32 LEU QD2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 295, 296, 297,
igr2= 442, 443, 444,
&end
#
# 23 LEU QD1 47 MET HG2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 295, 296, 297,
&end
#
# 23 LEU QD1 47 MET HG3 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 295, 296, 297,
&end
#
# 23 LEU QD1 47 MET QE 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 295, 296, 297,
igr2= 681, 682, 683,
&end
#
# 23 LEU QD1 47 MET QG 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 295, 296, 297,
igr2= 677, 678,
&end
#
# 23 LEU QD1 56 HIS QB 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 295, 296, 297,
igr2= 817, 818,
&end
#
# 23 LEU QD1 59 TYR HA 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 295, 296, 297,
&end
#
# 23 LEU QD1 59 TYR HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 295, 296, 297,
&end
#
# 23 LEU QD1 59 TYR QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 295, 296, 297,
igr2= 858, 859,
&end
#
# 23 LEU QD1 60 GLY HA2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 295, 296, 297,
&end
#
# 23 LEU QD1 60 GLY HA3 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 295, 296, 297,
&end
#
# 23 LEU QD1 60 GLY HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 295, 296, 297,
&end
#
# 23 LEU QD2 24 ASP- HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 299, 300, 301,
&end
#
# 23 LEU QD2 27 VAL HB 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 299, 300, 301,
&end
#
# 23 LEU QD2 27 VAL QG2 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 299, 300, 301,
igr2= 364, 365, 366,
&end
#
# 23 LEU QD2 59 TYR HA 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 299, 300, 301,
&end
#
# 23 LEU QD2 82 LEU HB3 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 299, 300, 301,
&end
#
# 23 LEU QD2 87 ILE HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 299, 300, 301,
&end
#
# 23 LEU QD2 87 ILE QG2 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 299, 300, 301,
igr2=1314,1315,1316,
&end
#
# 24 ASP- HA 25 GLU- HA 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 307, 319, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 24 ASP- HA 25 GLU- HN 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 307, 317, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 24 ASP- HA 26 LYS+ HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 307, 332, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 24 ASP- HA 27 VAL QG2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 364, 365, 366,
&end
#
# 24 ASP- HA 85 LYS+ HD2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 307,1282, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 24 ASP- HA 85 LYS+ HD3 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 307,1283, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 24 ASP- HB2 26 LYS+ HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 309, 332, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 24 ASP- HB2 27 VAL QG2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 364, 365, 366,
&end
#
# 24 ASP- HB2 83 TYR QB 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1248,1249,
&end
#
# 24 ASP- HB2 83 TYR QD 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1252,1261,
&end
#
# 24 ASP- HB2 85 LYS+ HD2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 309,1282, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 24 ASP- HB2 85 LYS+ HD3 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 309,1283, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 24 ASP- HB2 85 LYS+ QD 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1282,1283,
&end
#
# 24 ASP- HB3 26 LYS+ HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 310, 332, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 24 ASP- HB3 26 LYS+ QB 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 336, 337,
&end
#
# 24 ASP- HB3 27 VAL HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 310, 354, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 24 ASP- HB3 27 VAL QG2 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 364, 365, 366,
&end
#
# 24 ASP- HB3 83 TYR HB2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 310,1248, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 24 ASP- HB3 83 TYR HB3 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 310,1249, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 24 ASP- HB3 83 TYR QB 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1248,1249,
&end
#
# 24 ASP- HB3 83 TYR QD 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1252,1261,
&end
#
# 24 ASP- HB3 85 LYS+ QD 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1282,1283,
&end
#
# 24 ASP- HN 24 ASP- HB2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 305, 309, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 24 ASP- HN 24 ASP- HB3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 305, 310, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 24 ASP- HN 27 VAL QG2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 364, 365, 366,
&end
#
# 25 GLU- HA 56 HIS HE1 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 319, 822, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 25 GLU- HB2 26 LYS+ HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 321, 332, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 25 GLU- HB3 26 LYS+ HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 322, 332, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 25 GLU- HG2 26 LYS+ HG2 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= 324, 339, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 25 GLU- HG2 26 LYS+ HG3 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= 324, 340, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 25 GLU- HG2 26 LYS+ HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 324, 332, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 25 GLU- HG3 26 LYS+ HG2 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= 325, 339, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 25 GLU- HG3 26 LYS+ HG3 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= 325, 340, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 25 GLU- HG3 26 LYS+ HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 325, 332, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 25 GLU- HN 25 GLU- HG2 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 317, 324, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 25 GLU- HN 25 GLU- HG3 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 317, 325, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 25 GLU- HN 25 GLU- QB 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 321, 322,
&end
#
# 25 GLU- HN 25 GLU- QG 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 324, 325,
&end
#
# 25 GLU- HN 26 LYS+ HN 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 317, 332, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 25 GLU- QG 26 LYS+ QG 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 324, 325,
igr2= 339, 340,
&end
#
# 26 LYS+ HA 26 LYS+ HD2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 334, 342, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 26 LYS+ HA 26 LYS+ HD3 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 334, 343, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 26 LYS+ HA 26 LYS+ HG2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 334, 339, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 26 LYS+ HA 26 LYS+ HG3 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 334, 340, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 26 LYS+ HA 26 LYS+ QD 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 342, 343,
&end
#
# 26 LYS+ HA 26 LYS+ QE 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 345, 346,
&end
#
# 26 LYS+ HA 26 LYS+ QG 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 339, 340,
&end
#
# 26 LYS+ HE2 83 TYR QD 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1252,1261,
&end
#
# 26 LYS+ HE2 83 TYR QE 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1254,1259,
&end
#
# 26 LYS+ HE3 83 TYR QD 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1252,1261,
&end
#
# 26 LYS+ HE3 83 TYR QE 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1254,1259,
&end
#
# 26 LYS+ HN 26 LYS+ HB2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 332, 336, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 26 LYS+ HN 26 LYS+ HB3 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 332, 337, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 26 LYS+ HN 26 LYS+ HD2 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 332, 342, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 26 LYS+ HN 26 LYS+ HD3 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 332, 343, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 26 LYS+ HN 26 LYS+ QB 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 336, 337,
&end
#
# 26 LYS+ HN 26 LYS+ QD 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 342, 343,
&end
#
# 26 LYS+ HN 26 LYS+ QE 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 345, 346,
&end
#
# 26 LYS+ HN 26 LYS+ QG 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 339, 340,
&end
#
# 26 LYS+ HN 27 VAL HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 332, 354, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 26 LYS+ HN 27 VAL QG2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 364, 365, 366,
&end
#
# 26 LYS+ QB 26 LYS+ QD 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 336, 337,
igr2= 342, 343,
&end
#
# 26 LYS+ QB 26 LYS+ QE 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 336, 337,
igr2= 345, 346,
&end
#
# 26 LYS+ QB 83 TYR QE 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 336, 337,
igr2=1254,1259,
&end
#
# 26 LYS+ QD 83 TYR QE 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 342, 343,
igr2=1254,1259,
&end
#
# 26 LYS+ QE 83 TYR QB 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 345, 346,
igr2=1248,1249,
&end
#
# 26 LYS+ QE 83 TYR QD 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 345, 346,
igr2=1252,1261,
&end
#
# 27 VAL HA 27 VAL QG1 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 360, 361, 362,
&end
#
# 27 VAL HA 27 VAL QG2 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 364, 365, 366,
&end
#
# 27 VAL HA 28 SER HN 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat= 356, 370, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 27 VAL HA 31 LEU HB2 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 356, 414, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 27 VAL HA 31 LEU HB3 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 356, 415, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 27 VAL HA 31 LEU HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 356, 410, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 VAL HA 31 LEU QD1 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 419, 420, 421,
&end
#
# 27 VAL HA 31 LEU QD2 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 423, 424, 425,
&end
#
# 27 VAL HA 83 TYR QE 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1254,1259,
&end
#
# 27 VAL HB 47 MET QE 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 681, 682, 683,
&end
#
# 27 VAL HB 82 LEU QD2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1238,1239,1240,
&end
#
# 27 VAL HN 27 VAL HB 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 354, 358, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 27 VAL HN 27 VAL QG1 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 360, 361, 362,
&end
#
# 27 VAL HN 27 VAL QG2 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 364, 365, 366,
&end
#
# 27 VAL HN 28 SER HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 354, 370, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 27 VAL HN 31 LEU QD2 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 423, 424, 425,
&end
#
# 27 VAL HN 82 LEU QD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1238,1239,1240,
&end
#
# 27 VAL QG1 28 SER HA 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 360, 361, 362,
&end
#
# 27 VAL QG1 28 SER HN 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 360, 361, 362,
&end
#
# 27 VAL QG1 28 SER QB 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 360, 361, 362,
igr2= 374, 375,
&end
#
# 27 VAL QG1 31 LEU HB2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 360, 361, 362,
&end
#
# 27 VAL QG1 31 LEU HB3 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 360, 361, 362,
&end
#
# 27 VAL QG1 31 LEU HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 360, 361, 362,
&end
#
# 27 VAL QG1 31 LEU QD2 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 360, 361, 362,
igr2= 423, 424, 425,
&end
#
# 27 VAL QG1 32 LEU HA 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 360, 361, 362,
&end
#
# 27 VAL QG1 32 LEU HG 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 436, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 360, 361, 362,
&end
#
# 27 VAL QG1 32 LEU HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 360, 361, 362,
&end
#
# 27 VAL QG1 32 LEU QD1 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 360, 361, 362,
igr2= 438, 439, 440,
&end
#
# 27 VAL QG1 32 LEU QD2 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 360, 361, 362,
igr2= 442, 443, 444,
&end
#
# 27 VAL QG2 82 LEU HB2 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 364, 365, 366,
&end
#
# 27 VAL QG2 82 LEU HB3 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 364, 365, 366,
&end
#
# 27 VAL QG2 82 LEU HG 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 364, 365, 366,
&end
#
# 27 VAL QG2 82 LEU QD1 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 364, 365, 366,
igr2=1234,1235,1236,
&end
#
# 27 VAL QG2 82 LEU QD2 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 364, 365, 366,
igr2=1238,1239,1240,
&end
#
# 27 VAL QG2 83 TYR QD 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 364, 365, 366,
igr2=1252,1261,
&end
#
# 27 VAL QG2 83 TYR QE 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 364, 365, 366,
igr2=1254,1259,
&end
#
# 28 SER HA 47 MET QE 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 681, 682, 683,
&end
#
# 28 SER HB2 29 GLU- HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 374, 381, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 28 SER HB3 29 GLU- HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 375, 381, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 28 SER HN 28 SER QB 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 374, 375,
&end
#
# 28 SER HN 31 LEU HB2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 370, 414, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 28 SER HN 31 LEU HB3 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 370, 415, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 28 SER HN 31 LEU HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 370, 410, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 28 SER HN 31 LEU QD1 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 419, 420, 421,
&end
#
# 28 SER HN 31 LEU QD2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 423, 424, 425,
&end
#
# 28 SER HN 32 LEU HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 370, 429, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 28 SER HN 47 MET QE 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 681, 682, 683,
&end
#
# 28 SER QB 29 GLU- HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 374, 375,
&end
#
# 28 SER QB 29 GLU- QB 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 374, 375,
igr2= 385, 386,
&end
#
# 28 SER QB 30 PRO HD2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 374, 375,
&end
#
# 28 SER QB 30 PRO HD3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 374, 375,
&end
#
# 28 SER QB 30 PRO QG 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 374, 375,
igr2= 400, 401,
&end
#
# 28 SER QB 47 MET QE 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 374, 375,
igr2= 681, 682, 683,
&end
#
# 29 GLU- HA 29 GLU- HG2 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 29 GLU- HA 29 GLU- HG3 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 383, 389, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 29 GLU- HA 31 LEU HB3 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= 383, 415, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 29 GLU- HA 32 LEU HB2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 383, 433, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 29 GLU- HA 32 LEU HB3 1.80 5.47
&rst
ixpk= 0, nxpk= 0, iat= 383, 434, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 29 GLU- HA 32 LEU HG 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 383, 436, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 29 GLU- HA 32 LEU HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 383, 429, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 29 GLU- HA 32 LEU QD2 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 442, 443, 444,
&end
#
# 29 GLU- HA 33 TRP HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 383, 448, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 29 GLU- HA 45 THR QG2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 645, 646, 647,
&end
#
# 29 GLU- HA 47 MET QE 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 681, 682, 683,
&end
#
# 29 GLU- HA 47 MET QG 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 677, 678,
&end
#
# 29 GLU- HB2 30 PRO HD3 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 385, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 GLU- HB3 30 PRO HD3 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 386, 398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 GLU- HG2 45 THR HB 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 388, 643, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 29 GLU- HG2 45 THR QG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 645, 646, 647,
&end
#
# 29 GLU- HG2 46 HIS HA 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 388, 655, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 29 GLU- HG2 47 MET HB2 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 388, 674, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 29 GLU- HG2 47 MET HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 388, 670, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 29 GLU- HG2 47 MET QG 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 677, 678,
&end
#
# 29 GLU- HG3 45 THR QG2 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 645, 646, 647,
&end
#
# 29 GLU- HG3 46 HIS HA 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 389, 655, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 29 GLU- HG3 47 MET HB2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 389, 674, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 29 GLU- HG3 47 MET HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 389, 670, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 29 GLU- HG3 47 MET QE 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 681, 682, 683,
&end
#
# 29 GLU- HG3 47 MET QG 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 677, 678,
&end
#
# 29 GLU- HN 29 GLU- HB2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 381, 385, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 29 GLU- HN 29 GLU- HB3 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 381, 386, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 29 GLU- HN 29 GLU- HG3 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 381, 389, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 29 GLU- HN 30 PRO HD2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 381, 397, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 29 GLU- HN 30 PRO HD3 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 381, 398, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 29 GLU- HN 47 MET QE 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 681, 682, 683,
&end
#
# 29 GLU- HN 47 MET QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 677, 678,
&end
#
# 29 GLU- QB 30 PRO HD2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 385, 386,
&end
#
# 30 PRO HA 30 PRO HG2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 406, 400, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 30 PRO HA 30 PRO HG3 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 406, 401, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 30 PRO HA 30 PRO QG 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 400, 401,
&end
#
# 30 PRO HA 33 TRP HB2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 406, 452, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 30 PRO HA 33 TRP HB3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 406, 453, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 30 PRO HA 33 TRP HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 406, 448, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 30 PRO HA 34 GLU- HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 406, 472, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 30 PRO HB2 31 LEU HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 403, 410, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 30 PRO HB3 31 LEU HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 404, 410, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 30 PRO HD2 30 PRO HA 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 397, 406, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 30 PRO HD2 30 PRO HB2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 397, 403, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 30 PRO HD2 30 PRO HB3 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 397, 404, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 30 PRO HD2 30 PRO HG2 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 397, 400, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 30 PRO HD2 30 PRO HG3 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 397, 401, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 30 PRO HD2 30 PRO QB 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 403, 404,
&end
#
# 30 PRO HD2 30 PRO QG 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 400, 401,
&end
#
# 30 PRO HD2 31 LEU HN 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 397, 410, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 30 PRO HD3 30 PRO HB2 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 398, 403, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 30 PRO HD3 30 PRO HB3 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 398, 404, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 30 PRO HD3 30 PRO HG2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 398, 400, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 30 PRO HD3 30 PRO HG3 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 398, 401, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 30 PRO HD3 30 PRO QB 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 403, 404,
&end
#
# 30 PRO HD3 30 PRO QG 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 400, 401,
&end
#
# 30 PRO HD3 31 LEU HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 398, 410, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 30 PRO QB 31 LEU HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 403, 404,
&end
#
# 30 PRO QG 31 LEU HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 400, 401,
&end
#
# 31 LEU HA 31 LEU HG 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 412, 417, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 31 LEU HA 31 LEU QD1 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 419, 420, 421,
&end
#
# 31 LEU HA 31 LEU QD2 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 423, 424, 425,
&end
#
# 31 LEU HA 34 GLU- HB2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 412, 476, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 31 LEU HA 35 LEU HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 412, 487, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 31 LEU HB2 31 LEU QD2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 423, 424, 425,
&end
#
# 31 LEU HB2 32 LEU HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 414, 429, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 31 LEU HB3 31 LEU QD2 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 423, 424, 425,
&end
#
# 31 LEU HB3 32 LEU HA 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 415, 431, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 31 LEU HB3 32 LEU HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 415, 429, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 31 LEU HB3 32 LEU QD2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 442, 443, 444,
&end
#
# 31 LEU HB3 35 LEU QD2 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 500, 501, 502,
&end
#
# 31 LEU HB3 82 LEU QD2 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1238,1239,1240,
&end
#
# 31 LEU HG 32 LEU HN 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 417, 429, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 31 LEU HG 35 LEU HG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 417, 494, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 31 LEU HG 35 LEU QD1 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 496, 497, 498,
&end
#
# 31 LEU HG 35 LEU QD2 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 500, 501, 502,
&end
#
# 31 LEU HG 82 LEU QD2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1238,1239,1240,
&end
#
# 31 LEU HN 31 LEU HB2 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= 410, 414, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 31 LEU HN 31 LEU HB3 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 410, 415, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 31 LEU HN 31 LEU HG 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 410, 417, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 31 LEU HN 31 LEU QD1 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 419, 420, 421,
&end
#
# 31 LEU HN 31 LEU QD2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 423, 424, 425,
&end
#
# 31 LEU HN 32 LEU HG 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 410, 436, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 31 LEU HN 32 LEU HN 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 410, 429, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 31 LEU HN 33 TRP HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 410, 448, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 31 LEU QD1 32 LEU HA 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 419, 420, 421,
&end
#
# 31 LEU QD1 32 LEU HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 419, 420, 421,
&end
#
# 31 LEU QD1 34 GLU- HB2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 419, 420, 421,
&end
#
# 31 LEU QD1 35 LEU HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 419, 420, 421,
&end
#
# 31 LEU QD1 35 LEU QD1 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 419, 420, 421,
igr2= 496, 497, 498,
&end
#
# 31 LEU QD1 83 TYR QE 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 419, 420, 421,
igr2=1254,1259,
&end
#
# 31 LEU QD2 32 LEU HA 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 423, 424, 425,
&end
#
# 31 LEU QD2 32 LEU HN 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 423, 424, 425,
&end
#
# 31 LEU QD2 32 LEU QD1 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 423, 424, 425,
igr2= 438, 439, 440,
&end
#
# 31 LEU QD2 82 LEU QD1 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 423, 424, 425,
igr2=1234,1235,1236,
&end
#
# 31 LEU QD2 82 LEU QD2 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 423, 424, 425,
igr2=1238,1239,1240,
&end
#
# 31 LEU QD2 83 TYR QE 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 423, 424, 425,
igr2=1254,1259,
&end
#
# 32 LEU HA 32 LEU HG 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 431, 436, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 32 LEU HA 32 LEU QD1 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 438, 439, 440,
&end
#
# 32 LEU HA 32 LEU QD2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 442, 443, 444,
&end
#
# 32 LEU HA 35 LEU HB2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 431, 491, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 32 LEU HA 35 LEU HB3 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 431, 492, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 32 LEU HA 35 LEU HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 431, 487, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 32 LEU HA 35 LEU QD2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 500, 501, 502,
&end
#
# 32 LEU HA 36 PHE QD 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 514, 522,
&end
#
# 32 LEU HA 45 THR QG2 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 645, 646, 647,
&end
#
# 32 LEU HB2 32 LEU QD1 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 438, 439, 440,
&end
#
# 32 LEU HB2 32 LEU QD2 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 442, 443, 444,
&end
#
# 32 LEU HB2 33 TRP HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 433, 448, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 32 LEU HB2 45 THR HB 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 433, 643, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 LEU HB2 45 THR QG2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 645, 646, 647,
&end
#
# 32 LEU HB2 62 VAL QG1 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 908, 909, 910,
&end
#
# 32 LEU HB2 62 VAL QG2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 912, 913, 914,
&end
#
# 32 LEU HB3 32 LEU QD1 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 438, 439, 440,
&end
#
# 32 LEU HB3 32 LEU QD2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 442, 443, 444,
&end
#
# 32 LEU HB3 33 TRP HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 434, 448, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 32 LEU HB3 45 THR HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 434, 643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 LEU HB3 45 THR QG2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 645, 646, 647,
&end
#
# 32 LEU HB3 62 VAL QG2 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 912, 913, 914,
&end
#
# 32 LEU HG 33 TRP HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 436, 448, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 32 LEU HG 45 THR HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 436, 643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 LEU HG 45 THR QG2 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 645, 646, 647,
&end
#
# 32 LEU HG 62 VAL QG2 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 912, 913, 914,
&end
#
# 32 LEU HN 32 LEU HB2 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 429, 433, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 32 LEU HN 32 LEU HB3 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 429, 434, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 32 LEU HN 32 LEU HG 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 429, 436, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 32 LEU HN 32 LEU QD1 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 438, 439, 440,
&end
#
# 32 LEU HN 32 LEU QD2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 442, 443, 444,
&end
#
# 32 LEU HN 33 TRP HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 429, 448, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 32 LEU QD1 33 TRP HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 438, 439, 440,
&end
#
# 32 LEU QD1 36 PHE QD 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 438, 439, 440,
igr2= 514, 522,
&end
#
# 32 LEU QD1 36 PHE QE 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 438, 439, 440,
igr2= 516, 520,
&end
#
# 32 LEU QD1 45 THR HA 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 438, 439, 440,
&end
#
# 32 LEU QD1 45 THR HB 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 438, 439, 440,
&end
#
# 32 LEU QD1 45 THR QG2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 438, 439, 440,
igr2= 645, 646, 647,
&end
#
# 32 LEU QD1 46 HIS HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 438, 439, 440,
&end
#
# 32 LEU QD1 47 MET QE 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 438, 439, 440,
igr2= 681, 682, 683,
&end
#
# 32 LEU QD1 47 MET QG 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 438, 439, 440,
igr2= 677, 678,
&end
#
# 32 LEU QD1 60 GLY HA3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 438, 439, 440,
&end
#
# 32 LEU QD1 60 GLY HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 438, 439, 440,
&end
#
# 32 LEU QD1 61 PHE HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 438, 439, 440,
&end
#
# 32 LEU QD1 62 VAL HA 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 438, 439, 440,
&end
#
# 32 LEU QD1 62 VAL QG2 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 438, 439, 440,
igr2= 912, 913, 914,
&end
#
# 32 LEU QD2 33 TRP HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 442, 443, 444,
&end
#
# 32 LEU QD2 36 PHE QD 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 442, 443, 444,
igr2= 514, 522,
&end
#
# 32 LEU QD2 36 PHE QE 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 442, 443, 444,
igr2= 516, 520,
&end
#
# 32 LEU QD2 47 MET HG2 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 442, 443, 444,
&end
#
# 32 LEU QD2 47 MET HG3 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 678, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 442, 443, 444,
&end
#
# 32 LEU QD2 60 GLY HA3 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 442, 443, 444,
&end
#
# 32 LEU QD2 60 GLY HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 442, 443, 444,
&end
#
# 32 LEU QD2 61 PHE HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 442, 443, 444,
&end
#
# 32 LEU QD2 62 VAL QG2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 442, 443, 444,
igr2= 912, 913, 914,
&end
#
# 33 TRP HA 33 TRP HD1 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 450, 456, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 33 TRP HA 33 TRP HE3 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 450, 467, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 33 TRP HA 36 PHE HB3 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 450, 511, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 33 TRP HA 36 PHE HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 450, 506, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 33 TRP HA 42 VAL QG1 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 599, 600, 601,
&end
#
# 33 TRP HA 42 VAL QG2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 603, 604, 605,
&end
#
# 33 TRP HA 45 THR QG2 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 645, 646, 647,
&end
#
# 33 TRP HA 62 VAL QG1 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 908, 909, 910,
&end
#
# 33 TRP HA 62 VAL QG2 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 912, 913, 914,
&end
#
# 33 TRP HB2 33 TRP HE3 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 452, 467, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 33 TRP HB2 34 GLU- HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 452, 472, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 33 TRP HB2 45 THR HB 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 452, 643, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 33 TRP HB2 45 THR QG2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 645, 646, 647,
&end
#
# 33 TRP HB3 33 TRP HE3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 453, 467, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 33 TRP HB3 34 GLU- HN 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 453, 472, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 33 TRP HB3 45 THR QG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 645, 646, 647,
&end
#
# 33 TRP HD1 34 GLU- HA 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 456, 474, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 33 TRP HD1 34 GLU- HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 456, 472, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 33 TRP HD1 36 PHE HN 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= 456, 506, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 33 TRP HD1 37 LEU HG 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 456, 533, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 33 TRP HD1 37 LEU HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 456, 526, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 33 TRP HD1 37 LEU QD1 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 535, 536, 537,
&end
#
# 33 TRP HD1 37 LEU QD2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 539, 540, 541,
&end
#
# 33 TRP HD1 42 VAL HB 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 456, 597, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 33 TRP HD1 42 VAL QG1 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 599, 600, 601,
&end
#
# 33 TRP HD1 42 VAL QG2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 603, 604, 605,
&end
#
# 33 TRP HE1 37 LEU HG 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 458, 533, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 33 TRP HE1 37 LEU QD2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 539, 540, 541,
&end
#
# 33 TRP HE1 42 VAL HB 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 458, 597, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 33 TRP HE3 34 GLU- HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 467, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 TRP HE3 42 VAL QG1 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 599, 600, 601,
&end
#
# 33 TRP HE3 44 ASN HA 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 467, 627, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 33 TRP HE3 45 THR HB 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 467, 643, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 33 TRP HE3 45 THR HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 467, 639, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 33 TRP HE3 45 THR QG2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 645, 646, 647,
&end
#
# 33 TRP HH2 43 VAL HA 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 463, 611, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 33 TRP HN 33 TRP HB2 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 448, 452, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 33 TRP HN 33 TRP HB3 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 448, 453, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 33 TRP HN 33 TRP HD1 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= 448, 456, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 33 TRP HN 33 TRP HE3 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 448, 467, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 33 TRP HN 34 GLU- HB2 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 448, 476, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 33 TRP HN 34 GLU- HN 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 448, 472, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 33 TRP HN 35 LEU HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 448, 487, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 33 TRP HN 45 THR QG2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 645, 646, 647,
&end
#
# 33 TRP HN 62 VAL QG2 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 912, 913, 914,
&end
#
# 33 TRP HZ2 42 VAL QG1 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 599, 600, 601,
&end
#
# 33 TRP HZ2 43 VAL HA 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 461, 611, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 33 TRP HZ3 45 THR HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 465, 639, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 33 TRP HZ3 45 THR QG2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 645, 646, 647,
&end
#
# 34 GLU- HA 34 GLU- QG 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 479, 480,
&end
#
# 34 GLU- HA 37 LEU HB2 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 474, 530, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 34 GLU- HA 37 LEU HB3 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 474, 531, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 GLU- HA 37 LEU HG 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 474, 533, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 34 GLU- HA 37 LEU HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 474, 526, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 34 GLU- HA 37 LEU QD1 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 535, 536, 537,
&end
#
# 34 GLU- HA 37 LEU QD2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 539, 540, 541,
&end
#
# 34 GLU- HB2 35 LEU HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 476, 487, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 GLU- HB2 35 LEU QD1 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 496, 497, 498,
&end
#
# 34 GLU- HB3 37 LEU QD1 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 535, 536, 537,
&end
#
# 34 GLU- HG2 35 LEU HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 479, 487, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 34 GLU- HG2 37 LEU QD1 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 479, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 535, 536, 537,
&end
#
# 34 GLU- HG3 35 LEU HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 480, 487, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 34 GLU- HG3 37 LEU QD1 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 535, 536, 537,
&end
#
# 34 GLU- HN 34 GLU- HB2 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 472, 476, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 34 GLU- HN 34 GLU- HG2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 472, 479, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 34 GLU- HN 34 GLU- HG3 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 472, 480, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 34 GLU- HN 34 GLU- QG 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 479, 480,
&end
#
# 34 GLU- HN 35 LEU HB2 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 472, 491, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 34 GLU- HN 35 LEU HN 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 472, 487, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 34 GLU- HN 36 PHE HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 472, 506, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 34 GLU- HN 37 LEU QD1 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 535, 536, 537,
&end
#
# 34 GLU- QG 35 LEU HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 479, 480,
&end
#
# 34 GLU- QG 37 LEU QD1 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 479, 480,
igr2= 535, 536, 537,
&end
#
# 35 LEU HA 35 LEU HG 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 489, 494, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 35 LEU HA 35 LEU QD1 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 496, 497, 498,
&end
#
# 35 LEU HA 35 LEU QD2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 500, 501, 502,
&end
#
# 35 LEU HA 38 GLN HG3 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 489, 553, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 35 LEU HA 38 GLN QE2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 557, 558,
&end
#
# 35 LEU HB2 35 LEU QD1 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 496, 497, 498,
&end
#
# 35 LEU HB2 35 LEU QD2 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 500, 501, 502,
&end
#
# 35 LEU HB2 36 PHE HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 491, 506, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 35 LEU HB2 36 PHE QD 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 514, 522,
&end
#
# 35 LEU HB3 35 LEU QD1 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 496, 497, 498,
&end
#
# 35 LEU HB3 35 LEU QD2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 500, 501, 502,
&end
#
# 35 LEU HB3 36 PHE HA 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 492, 508, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 35 LEU HB3 36 PHE QD 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 514, 522,
&end
#
# 35 LEU HB3 36 PHE QE 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 516, 520,
&end
#
# 35 LEU HB3 77 MET QE 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1149,1150,1151,
&end
#
# 35 LEU HG 36 PHE HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 494, 506, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 35 LEU HG 36 PHE QD 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 514, 522,
&end
#
# 35 LEU HN 35 LEU HB2 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= 487, 491, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 35 LEU HN 35 LEU HB3 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 487, 492, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 35 LEU HN 35 LEU HG 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 487, 494, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 35 LEU HN 35 LEU QD1 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 496, 497, 498,
&end
#
# 35 LEU HN 35 LEU QD2 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 500, 501, 502,
&end
#
# 35 LEU HN 36 PHE QD 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 514, 522,
&end
#
# 35 LEU QD1 38 GLN HE21 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 496, 497, 498,
&end
#
# 35 LEU QD1 38 GLN HE22 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 558, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 496, 497, 498,
&end
#
# 35 LEU QD1 38 GLN HG3 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 496, 497, 498,
&end
#
# 35 LEU QD2 36 PHE HA 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 500, 501, 502,
&end
#
# 35 LEU QD2 36 PHE HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 500, 501, 502,
&end
#
# 35 LEU QD2 36 PHE QD 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 500, 501, 502,
igr2= 514, 522,
&end
#
# 35 LEU QD2 36 PHE QE 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 500, 501, 502,
igr2= 516, 520,
&end
#
# 35 LEU QD2 77 MET HB3 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 500, 501, 502,
&end
#
# 35 LEU QD2 77 MET HG2 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 500, 501, 502,
&end
#
# 35 LEU QD2 77 MET HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 500, 501, 502,
&end
#
# 35 LEU QD2 77 MET QE 1.80 2.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 500, 501, 502,
igr2=1149,1150,1151,
&end
#
# 36 PHE HA 36 PHE QD 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 514, 522,
&end
#
# 36 PHE HA 38 GLN HB2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 508, 549, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 36 PHE HA 38 GLN HG3 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 508, 553, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 36 PHE HA 38 GLN HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 508, 545, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 36 PHE HA 39 ALA HN 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 508, 562, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 36 PHE HA 39 ALA QB 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 566, 567, 568,
&end
#
# 36 PHE HA 40 GLY HN 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 508, 572, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 36 PHE HA 42 VAL QG2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 603, 604, 605,
&end
#
# 36 PHE HA 62 VAL QG1 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 908, 909, 910,
&end
#
# 36 PHE HA 64 PHE HZ 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 508, 945, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 36 PHE HA 73 ALA QB 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1072,1073,1074,
&end
#
# 36 PHE HA 76 ILE QD1 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1132,1133,1134,
&end
#
# 36 PHE HA 77 MET QE 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1149,1150,1151,
&end
#
# 36 PHE HB2 37 LEU HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 510, 526, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 36 PHE HB2 42 VAL QG1 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 599, 600, 601,
&end
#
# 36 PHE HB2 42 VAL QG2 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 603, 604, 605,
&end
#
# 36 PHE HB2 45 THR QG2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 645, 646, 647,
&end
#
# 36 PHE HB2 62 VAL QG1 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 908, 909, 910,
&end
#
# 36 PHE HB2 62 VAL QG2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 912, 913, 914,
&end
#
# 36 PHE HB2 64 PHE HZ 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 510, 945, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 36 PHE HB3 37 LEU HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 511, 526, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 36 PHE HB3 42 VAL QG2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 603, 604, 605,
&end
#
# 36 PHE HB3 62 VAL QG1 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 908, 909, 910,
&end
#
# 36 PHE HB3 64 PHE HZ 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 511, 945, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 36 PHE HB3 64 PHE QE 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 943, 947,
&end
#
# 36 PHE HB3 77 MET QE 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1149,1150,1151,
&end
#
# 36 PHE HN 36 PHE HB2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 506, 510, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 36 PHE HN 36 PHE HB3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 506, 511, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 36 PHE HN 36 PHE QD 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 514, 522,
&end
#
# 36 PHE HN 36 PHE QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 516, 520,
&end
#
# 36 PHE HN 37 LEU HB2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 506, 530, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 36 PHE HN 37 LEU HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 506, 526, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 36 PHE HN 38 GLN HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 506, 545, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 36 PHE HN 42 VAL QG2 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 603, 604, 605,
&end
#
# 36 PHE HN 62 VAL QG1 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 908, 909, 910,
&end
#
# 36 PHE HN 62 VAL QG2 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 912, 913, 914,
&end
#
# 36 PHE HN 64 PHE HZ 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 506, 945, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE HN 77 MET QE 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1149,1150,1151,
&end
#
# 36 PHE HZ 62 VAL QG2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 912, 913, 914,
&end
#
# 36 PHE HZ 77 MET HB2 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 518,1142, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 36 PHE HZ 77 MET HB3 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 518,1143, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 36 PHE HZ 89 VAL QG1 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1357,1358,1359,
&end
#
# 36 PHE HZ 89 VAL QG2 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1361,1362,1363,
&end
#
# 36 PHE QD 37 LEU HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 526, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 514, 522,
&end
#
# 36 PHE QD 42 VAL QG2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 514, 522,
igr2= 603, 604, 605,
&end
#
# 36 PHE QD 62 VAL QG1 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 514, 522,
igr2= 908, 909, 910,
&end
#
# 36 PHE QD 62 VAL QG2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 514, 522,
igr2= 912, 913, 914,
&end
#
# 36 PHE QD 64 PHE HZ 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 514, 522,
&end
#
# 36 PHE QD 64 PHE QE 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 514, 522,
igr2= 943, 947,
&end
#
# 36 PHE QD 73 ALA QB 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 514, 522,
igr2=1072,1073,1074,
&end
#
# 36 PHE QD 77 MET QE 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 514, 522,
igr2=1149,1150,1151,
&end
#
# 36 PHE QD 89 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 514, 522,
igr2=1361,1362,1363,
&end
#
# 36 PHE QE 62 VAL QG2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 516, 520,
igr2= 912, 913, 914,
&end
#
# 36 PHE QE 73 ALA HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 516, 520,
&end
#
# 36 PHE QE 73 ALA QB 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 516, 520,
igr2=1072,1073,1074,
&end
#
# 36 PHE QE 74 ILE HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 516, 520,
&end
#
# 36 PHE QE 77 MET HB2 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 516, 520,
&end
#
# 36 PHE QE 77 MET HB3 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 516, 520,
&end
#
# 36 PHE QE 77 MET HG2 1.80 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 516, 520,
&end
#
# 36 PHE QE 77 MET HG3 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 516, 520,
&end
#
# 36 PHE QE 77 MET QE 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 516, 520,
igr2=1149,1150,1151,
&end
#
# 36 PHE QE 89 VAL QG1 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 516, 520,
igr2=1357,1358,1359,
&end
#
# 37 LEU HA 37 LEU HG 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 528, 533, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 37 LEU HA 37 LEU QD1 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 535, 536, 537,
&end
#
# 37 LEU HA 37 LEU QD2 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 539, 540, 541,
&end
#
# 37 LEU HA 39 ALA HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 528, 562, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 37 LEU HA 40 GLY HN 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 528, 572, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 37 LEU HA 42 VAL HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 528, 593, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 37 LEU HA 42 VAL QG2 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 603, 604, 605,
&end
#
# 37 LEU HB2 37 LEU QD1 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 535, 536, 537,
&end
#
# 37 LEU HB2 38 GLN HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 530, 545, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 37 LEU HB3 37 LEU QD1 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 535, 536, 537,
&end
#
# 37 LEU HB3 37 LEU QD2 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 539, 540, 541,
&end
#
# 37 LEU HB3 38 GLN HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 531, 545, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 37 LEU HB3 42 VAL QG2 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 603, 604, 605,
&end
#
# 37 LEU HG 42 VAL HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 533, 593, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 37 LEU HG 42 VAL QG2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 603, 604, 605,
&end
#
# 37 LEU HN 37 LEU HB2 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 526, 530, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 37 LEU HN 37 LEU HB3 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 526, 531, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 37 LEU HN 37 LEU HG 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 526, 533, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 37 LEU HN 37 LEU QD1 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 535, 536, 537,
&end
#
# 37 LEU HN 37 LEU QD2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 539, 540, 541,
&end
#
# 37 LEU HN 38 GLN HN 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 526, 545, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 37 LEU HN 42 VAL QG2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 603, 604, 605,
&end
#
# 37 LEU QD1 41 PRO HA 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 535, 536, 537,
&end
#
# 37 LEU QD1 42 VAL HN 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 535, 536, 537,
&end
#
# 37 LEU QD1 42 VAL QG2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 535, 536, 537,
igr2= 603, 604, 605,
&end
#
# 37 LEU QD2 38 GLN HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 539, 540, 541,
&end
#
# 37 LEU QD2 40 GLY HN 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 539, 540, 541,
&end
#
# 37 LEU QD2 41 PRO HA 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 539, 540, 541,
&end
#
# 37 LEU QD2 41 PRO HB3 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 587, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 539, 540, 541,
&end
#
# 37 LEU QD2 42 VAL HA 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 539, 540, 541,
&end
#
# 37 LEU QD2 42 VAL HN 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 539, 540, 541,
&end
#
# 37 LEU QD2 42 VAL QG1 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 539, 540, 541,
igr2= 599, 600, 601,
&end
#
# 37 LEU QD2 42 VAL QG2 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 539, 540, 541,
igr2= 603, 604, 605,
&end
#
# 37 LEU QD2 64 PHE QE 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 539, 540, 541,
igr2= 943, 947,
&end
#
# 38 GLN HA 38 GLN HG2 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 547, 552, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 38 GLN HB2 38 GLN QE2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 557, 558,
&end
#
# 38 GLN HB2 39 ALA HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 549, 562, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 38 GLN HB2 39 ALA QB 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 566, 567, 568,
&end
#
# 38 GLN HB2 40 GLY HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 549, 572, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 38 GLN HB2 76 ILE QD1 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1132,1133,1134,
&end
#
# 38 GLN HB2 77 MET QE 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1149,1150,1151,
&end
#
# 38 GLN HE21 77 MET QE 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1149,1150,1151,
&end
#
# 38 GLN HE22 77 MET QE 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1149,1150,1151,
&end
#
# 38 GLN HG2 39 ALA HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 552, 562, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLN HG3 38 GLN QE2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 557, 558,
&end
#
# 38 GLN HG3 39 ALA HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 553, 562, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 38 GLN HG3 39 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 566, 567, 568,
&end
#
# 38 GLN HG3 76 ILE QD1 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1132,1133,1134,
&end
#
# 38 GLN HG3 77 MET QE 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1149,1150,1151,
&end
#
# 38 GLN HN 38 GLN HB2 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 545, 549, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 38 GLN HN 38 GLN HG3 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 545, 553, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 38 GLN HN 38 GLN QE2 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 557, 558,
&end
#
# 38 GLN HN 39 ALA HN 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 545, 562, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 38 GLN HN 39 ALA QB 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 566, 567, 568,
&end
#
# 38 GLN HN 40 GLY HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 545, 572, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 38 GLN HN 42 VAL QG2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 603, 604, 605,
&end
#
# 38 GLN HN 77 MET QE 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1149,1150,1151,
&end
#
# 38 GLN QE2 77 MET QE 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 557, 558,
igr2=1149,1150,1151,
&end
#
# 39 ALA HA 72 TYR QD 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1055,1064,
&end
#
# 39 ALA HA 72 TYR QE 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1057,1062,
&end
#
# 39 ALA HA 76 ILE QD1 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1132,1133,1134,
&end
#
# 39 ALA HN 39 ALA QB 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 566, 567, 568,
&end
#
# 39 ALA HN 40 GLY HN 1.80 2.81
&rst
ixpk= 0, nxpk= 0, iat= 562, 572, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 39 ALA HN 64 PHE HZ 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 562, 945, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 39 ALA HN 64 PHE QE 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 943, 947,
&end
#
# 39 ALA HN 73 ALA QB 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1072,1073,1074,
&end
#
# 39 ALA HN 76 ILE QD1 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1132,1133,1134,
&end
#
# 39 ALA HN 77 MET QE 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1149,1150,1151,
&end
#
# 39 ALA QB 40 GLY HN 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 566, 567, 568,
&end
#
# 39 ALA QB 42 VAL QG2 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 566, 567, 568,
igr2= 603, 604, 605,
&end
#
# 39 ALA QB 64 PHE HZ 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 566, 567, 568,
&end
#
# 39 ALA QB 64 PHE QE 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 566, 567, 568,
igr2= 943, 947,
&end
#
# 39 ALA QB 69 ASP- HA 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 566, 567, 568,
&end
#
# 39 ALA QB 69 ASP- HB3 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 566, 567, 568,
&end
#
# 39 ALA QB 70 ALA HA 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 566, 567, 568,
&end
#
# 39 ALA QB 72 TYR HA 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 566, 567, 568,
&end
#
# 39 ALA QB 72 TYR HB3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 566, 567, 568,
&end
#
# 39 ALA QB 72 TYR HN 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 566, 567, 568,
&end
#
# 39 ALA QB 72 TYR QD 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 566, 567, 568,
igr2=1055,1064,
&end
#
# 39 ALA QB 72 TYR QE 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 566, 567, 568,
igr2=1057,1062,
&end
#
# 39 ALA QB 73 ALA HA 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 566, 567, 568,
&end
#
# 39 ALA QB 73 ALA HN 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 566, 567, 568,
&end
#
# 39 ALA QB 74 ILE HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 566, 567, 568,
&end
#
# 39 ALA QB 76 ILE HG12 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 566, 567, 568,
&end
#
# 39 ALA QB 76 ILE HG13 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 566, 567, 568,
&end
#
# 39 ALA QB 76 ILE HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 566, 567, 568,
&end
#
# 39 ALA QB 76 ILE QD1 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 566, 567, 568,
igr2=1132,1133,1134,
&end
#
# 39 ALA QB 77 MET HG2 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 566, 567, 568,
&end
#
# 39 ALA QB 77 MET HG3 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 566, 567, 568,
&end
#
# 39 ALA QB 77 MET HN 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 566, 567, 568,
&end
#
# 40 GLY HA2 41 PRO HD2 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 574, 580, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 40 GLY HA2 41 PRO HD3 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 574, 581, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 40 GLY HA2 64 PHE QD 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 941, 949,
&end
#
# 40 GLY HA2 69 ASP- HB3 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 574,1018, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 40 GLY HA3 41 PRO HD2 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 575, 580, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 40 GLY HA3 41 PRO HD3 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 575, 581, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 40 GLY HA3 41 PRO QG 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 583, 584,
&end
#
# 40 GLY HA3 64 PHE QE 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 943, 947,
&end
#
# 40 GLY HA3 69 ASP- HB2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 575,1017, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 40 GLY HA3 69 ASP- HB3 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 575,1018, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 40 GLY HN 41 PRO HD2 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 572, 580, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 40 GLY HN 41 PRO HD3 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 572, 581, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 40 GLY HN 41 PRO QD 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 580, 581,
&end
#
# 40 GLY HN 42 VAL QG2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 603, 604, 605,
&end
#
# 40 GLY HN 64 PHE HZ 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 572, 945, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 40 GLY HN 64 PHE QE 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 943, 947,
&end
#
# 40 GLY HN 73 ALA QB 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1072,1073,1074,
&end
#
# 41 PRO HA 41 PRO HG2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 589, 583, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 41 PRO HA 41 PRO HG3 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 589, 584, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 41 PRO HA 42 VAL HB 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 589, 597, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 41 PRO HA 42 VAL HN 1.80 2.82
&rst
ixpk= 0, nxpk= 0, iat= 589, 593, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 41 PRO HA 42 VAL QG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 603, 604, 605,
&end
#
# 41 PRO HB2 42 VAL HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 586, 593, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 41 PRO HB2 43 VAL QG2 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 619, 620, 621,
&end
#
# 41 PRO HB2 65 LEU HB2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 586, 957, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 41 PRO HB2 65 LEU HN 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 586, 953, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 41 PRO HB2 65 LEU QD1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 962, 963, 964,
&end
#
# 41 PRO HB3 42 VAL HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 587, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 PRO HB3 65 LEU HB2 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 587, 957, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 41 PRO HB3 65 LEU QD2 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 966, 967, 968,
&end
#
# 41 PRO HD2 41 PRO HB3 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 580, 587, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 41 PRO HD2 41 PRO HG2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 580, 583, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 41 PRO HD2 41 PRO HG3 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 580, 584, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 41 PRO HD3 41 PRO HB3 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 581, 587, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 41 PRO HD3 41 PRO HG2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 581, 583, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 41 PRO HD3 41 PRO HG3 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 581, 584, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 41 PRO HG2 65 LEU HB2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 583, 957, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 41 PRO HG2 65 LEU HB3 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 583, 958, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 41 PRO HG2 65 LEU QD1 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 962, 963, 964,
&end
#
# 41 PRO HG2 65 LEU QD2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 966, 967, 968,
&end
#
# 41 PRO HG3 65 LEU HB2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 584, 957, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 41 PRO HG3 65 LEU HB3 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 584, 958, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 41 PRO HG3 65 LEU QD1 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 962, 963, 964,
&end
#
# 41 PRO HG3 65 LEU QD2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 966, 967, 968,
&end
#
# 41 PRO QD 41 PRO HB2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 580, 581,
&end
#
# 41 PRO QD 41 PRO QG 1.80 2.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1= 580, 581,
igr2= 583, 584,
&end
#
# 41 PRO QD 64 PHE QD 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 580, 581,
igr2= 941, 949,
&end
#
# 41 PRO QD 65 LEU HB2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 580, 581,
&end
#
# 41 PRO QD 65 LEU QD2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 580, 581,
igr2= 966, 967, 968,
&end
#
# 41 PRO QG 65 LEU HG 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 583, 584,
&end
#
# 41 PRO QG 65 LEU HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 583, 584,
&end
#
# 41 PRO QG 65 LEU QD1 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 583, 584,
igr2= 962, 963, 964,
&end
#
# 42 VAL HA 42 VAL QG1 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 599, 600, 601,
&end
#
# 42 VAL HA 42 VAL QG2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 603, 604, 605,
&end
#
# 42 VAL HA 43 VAL HA 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 595, 611, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 42 VAL HA 43 VAL HB 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 595, 613, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 42 VAL HA 43 VAL HN 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 595, 609, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 42 VAL HA 43 VAL QG1 1.80 5.48
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 615, 616, 617,
&end
#
# 42 VAL HA 43 VAL QG2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 619, 620, 621,
&end
#
# 42 VAL HA 44 ASN HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 595, 625, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 42 VAL HA 62 VAL QG1 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 908, 909, 910,
&end
#
# 42 VAL HA 64 PHE HA 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 595, 935, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 42 VAL HA 64 PHE QD 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 941, 949,
&end
#
# 42 VAL HA 65 LEU HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 595, 953, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 42 VAL HN 42 VAL HB 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 593, 597, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 42 VAL HN 42 VAL QG1 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 599, 600, 601,
&end
#
# 42 VAL HN 42 VAL QG2 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 603, 604, 605,
&end
#
# 42 VAL HN 43 VAL HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 593, 609, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 42 VAL HN 64 PHE QD 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 941, 949,
&end
#
# 42 VAL QG1 43 VAL HA 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 599, 600, 601,
&end
#
# 42 VAL QG1 43 VAL HB 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 599, 600, 601,
&end
#
# 42 VAL QG1 43 VAL HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 599, 600, 601,
&end
#
# 42 VAL QG1 43 VAL QG2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 599, 600, 601,
igr2= 619, 620, 621,
&end
#
# 42 VAL QG1 44 ASN HN 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 599, 600, 601,
&end
#
# 42 VAL QG1 45 THR HA 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 599, 600, 601,
&end
#
# 42 VAL QG1 45 THR QG2 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 599, 600, 601,
igr2= 645, 646, 647,
&end
#
# 42 VAL QG1 62 VAL HA 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 599, 600, 601,
&end
#
# 42 VAL QG1 62 VAL QG1 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 599, 600, 601,
igr2= 908, 909, 910,
&end
#
# 42 VAL QG1 62 VAL QG2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 599, 600, 601,
igr2= 912, 913, 914,
&end
#
# 42 VAL QG1 63 GLU- HB3 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 599, 600, 601,
&end
#
# 42 VAL QG1 63 GLU- HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 599, 600, 601,
&end
#
# 42 VAL QG1 64 PHE HA 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 599, 600, 601,
&end
#
# 42 VAL QG2 43 VAL HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 603, 604, 605,
&end
#
# 42 VAL QG2 45 THR QG2 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 603, 604, 605,
igr2= 645, 646, 647,
&end
#
# 42 VAL QG2 62 VAL QG1 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 603, 604, 605,
igr2= 908, 909, 910,
&end
#
# 42 VAL QG2 64 PHE HA 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 603, 604, 605,
&end
#
# 42 VAL QG2 64 PHE HZ 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 603, 604, 605,
&end
#
# 42 VAL QG2 64 PHE QD 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 603, 604, 605,
igr2= 941, 949,
&end
#
# 42 VAL QG2 64 PHE QE 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 603, 604, 605,
igr2= 943, 947,
&end
#
# 43 VAL HA 43 VAL QG1 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 615, 616, 617,
&end
#
# 43 VAL HA 43 VAL QG2 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 619, 620, 621,
&end
#
# 43 VAL HB 44 ASN HB2 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 613, 629, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 43 VAL HB 44 ASN HB3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 613, 630, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 43 VAL HB 44 ASN HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 613, 625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 VAL HB 63 GLU- QG 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 925, 926,
&end
#
# 43 VAL HN 43 VAL HB 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 609, 613, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 43 VAL HN 43 VAL QG1 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 615, 616, 617,
&end
#
# 43 VAL HN 43 VAL QG2 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 619, 620, 621,
&end
#
# 43 VAL HN 44 ASN HN 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= 609, 625, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 43 VAL HN 62 VAL QG1 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 908, 909, 910,
&end
#
# 43 VAL HN 63 GLU- HB3 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 609, 923, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 43 VAL HN 63 GLU- HN 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 609, 918, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 43 VAL HN 64 PHE HA 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 609, 935, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 43 VAL HN 64 PHE QD 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 941, 949,
&end
#
# 43 VAL HN 65 LEU HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 609, 953, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 43 VAL QG1 44 ASN HB2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 615, 616, 617,
&end
#
# 43 VAL QG1 44 ASN HB3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 615, 616, 617,
&end
#
# 43 VAL QG1 44 ASN HD21 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 634, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 615, 616, 617,
&end
#
# 43 VAL QG1 44 ASN HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 615, 616, 617,
&end
#
# 43 VAL QG1 63 GLU- HB3 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 615, 616, 617,
&end
#
# 43 VAL QG1 63 GLU- QG 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 615, 616, 617,
igr2= 925, 926,
&end
#
# 43 VAL QG1 64 PHE HA 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 615, 616, 617,
&end
#
# 43 VAL QG1 65 LEU HA 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 615, 616, 617,
&end
#
# 43 VAL QG1 65 LEU HB2 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 615, 616, 617,
&end
#
# 43 VAL QG1 65 LEU HG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 615, 616, 617,
&end
#
# 43 VAL QG1 65 LEU HN 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 615, 616, 617,
&end
#
# 43 VAL QG2 44 ASN HB3 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 619, 620, 621,
&end
#
# 43 VAL QG2 44 ASN HN 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 619, 620, 621,
&end
#
# 43 VAL QG2 63 GLU- HB3 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 619, 620, 621,
&end
#
# 43 VAL QG2 63 GLU- HN 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 619, 620, 621,
&end
#
# 43 VAL QG2 63 GLU- QG 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 619, 620, 621,
igr2= 925, 926,
&end
#
# 43 VAL QG2 64 PHE HA 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 619, 620, 621,
&end
#
# 43 VAL QG2 64 PHE QB 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 619, 620, 621,
igr2= 937, 938,
&end
#
# 43 VAL QG2 65 LEU HA 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 619, 620, 621,
&end
#
# 43 VAL QG2 65 LEU HB2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 619, 620, 621,
&end
#
# 43 VAL QG2 65 LEU HB3 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 619, 620, 621,
&end
#
# 43 VAL QG2 65 LEU HG 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 619, 620, 621,
&end
#
# 43 VAL QG2 65 LEU HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 619, 620, 621,
&end
#
# 43 VAL QG2 65 LEU QD1 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 619, 620, 621,
igr2= 962, 963, 964,
&end
#
# 43 VAL QG2 65 LEU QD2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 619, 620, 621,
igr2= 966, 967, 968,
&end
#
# 44 ASN HB2 45 THR HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 629, 639, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 44 ASN HB3 45 THR HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 630, 639, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 44 ASN HB3 63 GLU- HB3 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 630, 923, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 44 ASN HD22 46 HIS HB2 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 635, 657, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 44 ASN HD22 46 HIS HB3 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 635, 658, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 44 ASN HN 44 ASN HB2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 625, 629, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 44 ASN HN 44 ASN HB3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 625, 630, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 44 ASN HN 45 THR HA 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= 625, 641, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 44 ASN HN 45 THR HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 625, 639, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 44 ASN HN 45 THR QG2 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 645, 646, 647,
&end
#
# 44 ASN HN 63 GLU- HB3 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 625, 923, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 44 ASN HN 63 GLU- HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 625, 918, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 44 ASN HN 63 GLU- QG 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 925, 926,
&end
#
# 44 ASN HN 64 PHE HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 625, 935, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 THR HA 45 THR QG2 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 645, 646, 647,
&end
#
# 45 THR HA 46 HIS HN 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat= 641, 653, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 45 THR HA 61 PHE HN 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= 641, 882, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 45 THR HA 62 VAL HA 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 641, 904, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 45 THR HA 62 VAL QG1 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 908, 909, 910,
&end
#
# 45 THR HA 62 VAL QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 912, 913, 914,
&end
#
# 45 THR HA 63 GLU- HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 641, 918, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 45 THR HB 46 HIS HN 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 643, 653, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 45 THR HB 62 VAL HA 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 643, 904, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 45 THR HB 62 VAL QG1 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 908, 909, 910,
&end
#
# 45 THR HB 62 VAL QG2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 912, 913, 914,
&end
#
# 45 THR HN 45 THR QG2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 645, 646, 647,
&end
#
# 45 THR QG2 46 HIS HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 645, 646, 647,
&end
#
# 45 THR QG2 62 VAL HA 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 645, 646, 647,
&end
#
# 45 THR QG2 62 VAL QG1 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 645, 646, 647,
igr2= 908, 909, 910,
&end
#
# 45 THR QG2 62 VAL QG2 1.80 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 645, 646, 647,
igr2= 912, 913, 914,
&end
#
# 45 THR QG2 63 GLU- HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 645, 646, 647,
&end
#
# 46 HIS HA 47 MET HB2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 655, 674, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 46 HIS HA 47 MET HN 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 655, 670, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 46 HIS HA 47 MET QG 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 677, 678,
&end
#
# 46 HIS HB2 61 PHE QB 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 886, 887,
&end
#
# 46 HIS HB3 61 PHE HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 658, 882, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 46 HIS HB3 61 PHE QB 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 886, 887,
&end
#
# 46 HIS HE1 48 PRO HA 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 662, 697, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 46 HIS HE1 48 PRO QB 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 694, 695,
&end
#
# 46 HIS HE1 48 PRO QG 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 691, 692,
&end
#
# 46 HIS HE1 49 LYS+ HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 662, 701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 HIS HN 46 HIS HB2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 653, 657, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 46 HIS HN 46 HIS HB3 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 653, 658, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 46 HIS HN 47 MET HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 653, 670, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 46 HIS HN 48 PRO HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 653, 689, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 HIS HN 60 GLY HA3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 653, 878, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 HIS HN 61 PHE HB2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 653, 886, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 46 HIS HN 61 PHE HB3 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 653, 887, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 46 HIS HN 61 PHE HN 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 653, 882, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 46 HIS HN 61 PHE QB 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 886, 887,
&end
#
# 46 HIS HN 62 VAL HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 653, 904, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 46 HIS HN 62 VAL QG2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 912, 913, 914,
&end
#
# 47 MET HA 47 MET HG2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 672, 677, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 47 MET HA 47 MET HG3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 672, 678, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 47 MET HA 47 MET QG 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 677, 678,
&end
#
# 47 MET HA 48 PRO HD2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 672, 688, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 47 MET HA 48 PRO HD3 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 672, 689, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 47 MET HA 60 GLY HA2 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 672, 877, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 47 MET HA 61 PHE HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 672, 882, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 47 MET HB2 47 MET QE 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 681, 682, 683,
&end
#
# 47 MET HB3 47 MET QE 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 681, 682, 683,
&end
#
# 47 MET HG2 47 MET QE 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 681, 682, 683,
&end
#
# 47 MET HG2 60 GLY HA2 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 677, 877, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 47 MET HG2 60 GLY HA3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 677, 878, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 47 MET HG3 47 MET QE 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 681, 682, 683,
&end
#
# 47 MET HG3 60 GLY HA2 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 678, 877, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 47 MET HG3 60 GLY HA3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 678, 878, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 47 MET HN 47 MET HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 670, 677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 MET HN 47 MET HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 670, 678, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 MET HN 47 MET QG 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 677, 678,
&end
#
# 47 MET QE 56 HIS HB2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 681, 682, 683,
&end
#
# 47 MET QE 56 HIS HB3 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 681, 682, 683,
&end
#
# 47 MET QE 56 HIS HD2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 681, 682, 683,
&end
#
# 47 MET QE 56 HIS HE1 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 681, 682, 683,
&end
#
# 47 MET QE 57 GLN HN 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 681, 682, 683,
&end
#
# 47 MET QE 58 GLY HN 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 681, 682, 683,
&end
#
# 47 MET QE 59 TYR HA 1.80 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 681, 682, 683,
&end
#
# 47 MET QE 59 TYR HN 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 681, 682, 683,
&end
#
# 47 MET QE 60 GLY HA2 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 681, 682, 683,
&end
#
# 47 MET QE 60 GLY HA3 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 681, 682, 683,
&end
#
# 47 MET QE 60 GLY HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 681, 682, 683,
&end
#
# 47 MET QE 61 PHE HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 681, 682, 683,
&end
#
# 47 MET QG 48 PRO HD3 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 677, 678,
&end
#
# 47 MET QG 60 GLY HA2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 677, 678,
&end
#
# 47 MET QG 61 PHE HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 677, 678,
&end
#
# 48 PRO HA 48 PRO QG 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 691, 692,
&end
#
# 48 PRO HA 49 LYS+ HN 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat= 697, 701, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 48 PRO HA 49 LYS+ QB 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 705, 706,
&end
#
# 48 PRO HA 49 LYS+ QD 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 711, 712,
&end
#
# 48 PRO HA 49 LYS+ QG 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 708, 709,
&end
#
# 48 PRO HB2 49 LYS+ HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 694, 701, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 48 PRO HB2 59 TYR QE 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 864, 869,
&end
#
# 48 PRO HB3 49 LYS+ HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 695, 701, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 48 PRO HB3 59 TYR QE 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 864, 869,
&end
#
# 48 PRO HD2 48 PRO HB2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 688, 694, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 48 PRO HD2 48 PRO HB3 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 688, 695, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 48 PRO HD2 48 PRO HG2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 688, 691, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 48 PRO HD2 48 PRO HG3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 688, 692, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 48 PRO HD2 48 PRO QB 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 694, 695,
&end
#
# 48 PRO HD2 48 PRO QG 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 691, 692,
&end
#
# 48 PRO HD2 59 TYR QE 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 864, 869,
&end
#
# 48 PRO HD2 60 GLY HA2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 688, 877, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 48 PRO HD3 48 PRO HB2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 689, 694, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 48 PRO HD3 48 PRO HB3 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 689, 695, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 48 PRO HD3 48 PRO HG2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 689, 691, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 48 PRO HD3 48 PRO HG3 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 689, 692, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 48 PRO HD3 48 PRO QB 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 694, 695,
&end
#
# 48 PRO HD3 48 PRO QG 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 691, 692,
&end
#
# 48 PRO HD3 59 TYR QE 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 864, 869,
&end
#
# 48 PRO HD3 60 GLY HA2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 689, 877, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 48 PRO HD3 61 PHE HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 689, 882, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 48 PRO HD3 61 PHE QD 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 890, 898,
&end
#
# 48 PRO HG2 59 TYR QE 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 864, 869,
&end
#
# 48 PRO HG2 61 PHE QE 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 892, 896,
&end
#
# 48 PRO HG3 59 TYR QE 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 864, 869,
&end
#
# 48 PRO HG3 61 PHE QE 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 892, 896,
&end
#
# 48 PRO QB 59 TYR QE 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 694, 695,
igr2= 864, 869,
&end
#
# 48 PRO QG 59 TYR QE 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 691, 692,
igr2= 864, 869,
&end
#
# 49 LYS+ HA 49 LYS+ HD2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 703, 711, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 49 LYS+ HA 49 LYS+ HD3 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 703, 712, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 49 LYS+ HA 49 LYS+ HE2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 703, 714, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS+ HA 49 LYS+ HE3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 703, 715, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS+ HA 49 LYS+ QG 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 708, 709,
&end
#
# 49 LYS+ HA 50 ASP- HB2 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 703, 727, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 49 LYS+ HA 50 ASP- HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 703, 723, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 49 LYS+ HA 56 HIS HA 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 703, 815, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 49 LYS+ HA 56 HIS HB2 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 703, 817, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 49 LYS+ HA 56 HIS HB3 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 703, 818, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 49 LYS+ HA 57 GLN HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 703, 830, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 49 LYS+ HD2 56 HIS HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 711, 813, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 49 LYS+ HD3 56 HIS HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 712, 813, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 49 LYS+ HN 49 LYS+ HG2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 701, 708, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 49 LYS+ HN 49 LYS+ HG3 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 701, 709, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 49 LYS+ HN 49 LYS+ QB 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 705, 706,
&end
#
# 49 LYS+ HN 49 LYS+ QG 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 708, 709,
&end
#
# 49 LYS+ QB 50 ASP- HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 705, 706,
&end
#
# 49 LYS+ QB 54 GLY HA2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 705, 706,
&end
#
# 49 LYS+ QB 54 GLY HA3 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 705, 706,
&end
#
# 49 LYS+ QB 56 HIS HA 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 705, 706,
&end
#
# 49 LYS+ QD 56 HIS HA 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 711, 712,
&end
#
# 49 LYS+ QD 56 HIS HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 711, 712,
&end
#
# 50 ASP- HA 51 ARG+ HB3 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 725, 740, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 50 ASP- HA 51 ARG+ HG2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 725, 742, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 50 ASP- HA 52 VAL HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 725, 759, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 50 ASP- HB2 53 THR HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 727, 775, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 50 ASP- HB2 54 GLY HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 727, 789, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 50 ASP- HB2 55 GLN HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 727, 796, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 50 ASP- HB2 57 GLN HG2 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 727, 837, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 50 ASP- HB2 57 GLN HG3 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 727, 838, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 50 ASP- HB2 57 GLN QG 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 837, 838,
&end
#
# 50 ASP- HB3 52 VAL HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 728, 759, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 50 ASP- HB3 53 THR HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 728, 775, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 50 ASP- HB3 53 THR QG2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 781, 782, 783,
&end
#
# 50 ASP- HB3 54 GLY HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 728, 789, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 50 ASP- HB3 55 GLN HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 728, 796, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 50 ASP- HN 50 ASP- HB2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 723, 727, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 ASP- HN 50 ASP- HB3 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 723, 728, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 50 ASP- HN 55 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 723, 796, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 50 ASP- HN 56 HIS HA 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 723, 815, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 50 ASP- HN 57 GLN HG2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 723, 837, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 50 ASP- HN 57 GLN HG3 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 723, 838, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 51 ARG+ HA 51 ARG+ HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 737, 745, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 ARG+ HA 51 ARG+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 737, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 ARG+ HA 51 ARG+ HG2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 737, 742, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 51 ARG+ HA 54 GLY HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 737, 789, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 51 ARG+ HB2 51 ARG+ QD 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 745, 746,
&end
#
# 51 ARG+ HB2 52 VAL HA 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 739, 761, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 51 ARG+ HB2 52 VAL HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 739, 759, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 51 ARG+ HB3 51 ARG+ QD 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 745, 746,
&end
#
# 51 ARG+ HB3 52 VAL HN 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= 740, 759, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 51 ARG+ HG2 52 VAL HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 742, 759, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 51 ARG+ HG3 52 VAL HA 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 743, 761, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 51 ARG+ HG3 52 VAL HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 743, 759, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 51 ARG+ HG3 52 VAL QQG 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 765, 766, 767, 769, 770, 771,
&end
#
# 51 ARG+ HN 51 ARG+ HG2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 735, 742, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 51 ARG+ HN 52 VAL HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 735, 759, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 51 ARG+ QD 52 VAL QQG 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 745, 746,
igr2= 765, 766, 767, 769, 770, 771,
&end
#
# 52 VAL HA 52 VAL QQG 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 765, 766, 767, 769, 770, 771,
&end
#
# 52 VAL HB 53 THR HA 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 763, 777, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 52 VAL HB 53 THR HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 763, 775, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 52 VAL HB 53 THR QG2 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 781, 782, 783,
&end
#
# 52 VAL HN 52 VAL HB 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 759, 763, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 52 VAL HN 52 VAL QG1 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 765, 766, 767,
&end
#
# 52 VAL HN 52 VAL QG2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 769, 770, 771,
&end
#
# 52 VAL HN 52 VAL QQG 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 765, 766, 767, 769, 770, 771,
&end
#
# 52 VAL HN 53 THR HA 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 759, 777, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 52 VAL HN 53 THR QG2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 781, 782, 783,
&end
#
# 52 VAL HN 54 GLY HA2 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 759, 791, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 52 VAL HN 54 GLY HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 759, 789, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 52 VAL QG1 53 THR HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 765, 766, 767,
&end
#
# 52 VAL QG2 53 THR HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 769, 770, 771,
&end
#
# 52 VAL QQG 53 THR HA 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 765, 766, 767, 769, 770, 771,
&end
#
# 52 VAL QQG 53 THR HN 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 765, 766, 767, 769, 770, 771,
&end
#
# 52 VAL QQG 53 THR QG2 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 765, 766, 767, 769, 770, 771,
igr2= 781, 782, 783,
&end
#
# 53 THR HA 53 THR QG2 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 781, 782, 783,
&end
#
# 53 THR HA 55 GLN HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 777, 796, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 53 THR HB 54 GLY HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 779, 789, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 53 THR HB 55 GLN HG2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 779, 803, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 53 THR HB 55 GLN HG3 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 779, 804, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 53 THR HB 55 GLN HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 779, 796, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 53 THR HB 55 GLN QB 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 800, 801,
&end
#
# 53 THR HB 55 GLN QG 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 803, 804,
&end
#
# 53 THR HG1 55 GLN HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 785, 796, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 53 THR HN 53 THR HB 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 775, 779, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 53 THR HN 53 THR HG1 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 775, 785, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 53 THR HN 53 THR QG2 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 781, 782, 783,
&end
#
# 53 THR HN 54 GLY HA2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 775, 791, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 53 THR HN 54 GLY HA3 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 775, 792, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 53 THR HN 54 GLY HN 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= 775, 789, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 53 THR HN 55 GLN HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 775, 796, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 53 THR QG2 53 THR HG1 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 781, 782, 783,
&end
#
# 53 THR QG2 54 GLY HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 781, 782, 783,
&end
#
# 53 THR QG2 55 GLN HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 781, 782, 783,
&end
#
# 53 THR QG2 55 GLN HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 781, 782, 783,
&end
#
# 53 THR QG2 55 GLN HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 781, 782, 783,
&end
#
# 54 GLY HN 55 GLN HN 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 789, 796, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 55 GLN HA 55 GLN QG 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 803, 804,
&end
#
# 55 GLN HA 56 HIS HN 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= 798, 813, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 55 GLN HB2 56 HIS HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 800, 813, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 55 GLN HB3 56 HIS HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 801, 813, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 55 GLN HG2 56 HIS HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 803, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLN HG3 56 HIS HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 804, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 GLN HN 55 GLN HB2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 796, 800, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 55 GLN HN 55 GLN HB3 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 796, 801, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 55 GLN HN 55 GLN HG2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 796, 803, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 55 GLN HN 55 GLN HG3 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 796, 804, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 55 GLN HN 55 GLN QB 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 800, 801,
&end
#
# 55 GLN HN 55 GLN QG 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 803, 804,
&end
#
# 55 GLN HN 56 HIS HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 796, 813, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 55 GLN QB 56 HIS HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 800, 801,
&end
#
# 55 GLN QG 56 HIS HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 803, 804,
&end
#
# 56 HIS HA 57 GLN QG 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 837, 838,
&end
#
# 56 HIS HB2 57 GLN HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 817, 830, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 56 HIS HB3 57 GLN HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 818, 830, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 56 HIS HE1 58 GLY HA2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 822, 849, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 56 HIS HE1 58 GLY HA3 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 822, 850, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 56 HIS HN 56 HIS HD2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 813, 826, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 56 HIS HN 56 HIS QB 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 813, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 817, 818,
&end
#
# 56 HIS HN 57 GLN HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 813, 830, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 57 GLN HA 57 GLN HG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 832, 837, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 57 GLN HA 57 GLN HG3 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 832, 838, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 57 GLN HA 57 GLN QG 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 837, 838,
&end
#
# 57 GLN HB2 59 TYR HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 834, 854, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 57 GLN HB2 59 TYR QD 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 862, 871,
&end
#
# 57 GLN HB2 59 TYR QE 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 864, 869,
&end
#
# 57 GLN HB3 59 TYR HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 835, 854, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 57 GLN HB3 59 TYR QD 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 862, 871,
&end
#
# 57 GLN HB3 59 TYR QE 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 864, 869,
&end
#
# 57 GLN HN 57 GLN HG2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 830, 837, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 57 GLN HN 57 GLN HG3 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 830, 838, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 57 GLN HN 57 GLN QG 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 837, 838,
&end
#
# 57 GLN HN 59 TYR HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 830, 854, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 57 GLN QB 59 TYR HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 834, 835,
&end
#
# 57 GLN QB 59 TYR QE 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 834, 835,
igr2= 864, 869,
&end
#
# 59 TYR HA 59 TYR QD 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 862, 871,
&end
#
# 59 TYR HA 60 GLY HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 856, 875, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 59 TYR HB2 60 GLY HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 858, 875, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 59 TYR HB3 60 GLY HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 859, 875, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 59 TYR HN 59 TYR QD 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 862, 871,
&end
#
# 59 TYR HN 59 TYR QE 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 864, 869,
&end
#
# 59 TYR HN 60 GLY HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 854, 875, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 59 TYR QB 60 GLY HN 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 858, 859,
&end
#
# 59 TYR QD 60 GLY HA2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 862, 871,
&end
#
# 59 TYR QD 60 GLY HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 862, 871,
&end
#
# 59 TYR QD 61 PHE QE 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 862, 871,
igr2= 892, 896,
&end
#
# 59 TYR QE 61 PHE HZ 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 864, 869,
&end
#
# 59 TYR QE 61 PHE QD 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 864, 869,
igr2= 890, 898,
&end
#
# 59 TYR QE 61 PHE QE 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 864, 869,
igr2= 892, 896,
&end
#
# 60 GLY HA2 61 PHE HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 877, 882, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 60 GLY HA2 61 PHE QD 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 890, 898,
&end
#
# 60 GLY HA3 61 PHE HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 878, 882, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 61 PHE HA 61 PHE QD 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 890, 898,
&end
#
# 61 PHE HA 62 VAL HB 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 884, 906, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 61 PHE HA 62 VAL HN 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= 884, 902, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 61 PHE HA 62 VAL QG2 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 912, 913, 914,
&end
#
# 61 PHE HB2 62 VAL HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 886, 902, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 61 PHE HB3 62 VAL HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 887, 902, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 61 PHE HN 61 PHE HB2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 882, 886, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 61 PHE HN 61 PHE HB3 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 882, 887, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 61 PHE HN 61 PHE QB 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 886, 887,
&end
#
# 61 PHE HN 61 PHE QD 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 890, 898,
&end
#
# 61 PHE QD 62 VAL HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 890, 898,
&end
#
# 61 PHE QD 62 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 890, 898,
igr2= 912, 913, 914,
&end
#
# 61 PHE QD 92 ALA QB 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 890, 898,
igr2=1407,1408,1409,
&end
#
# 61 PHE QE 92 ALA HA 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 892, 896,
&end
#
# 61 PHE QE 92 ALA QB 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 892, 896,
igr2=1407,1408,1409,
&end
#
# 62 VAL HA 62 VAL QG1 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 908, 909, 910,
&end
#
# 62 VAL HA 62 VAL QG2 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 912, 913, 914,
&end
#
# 62 VAL HA 63 GLU- HB2 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= 904, 922, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 62 VAL HA 63 GLU- HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 904, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 VAL HA 63 GLU- HN 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 904, 918, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 62 VAL HB 64 PHE QE 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 943, 947,
&end
#
# 62 VAL HN 62 VAL HB 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 902, 906, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 62 VAL HN 62 VAL QG2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 902, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 912, 913, 914,
&end
#
# 62 VAL QG1 63 GLU- HB3 1.80 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 908, 909, 910,
&end
#
# 62 VAL QG1 63 GLU- HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 908, 909, 910,
&end
#
# 62 VAL QG1 64 PHE HA 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 908, 909, 910,
&end
#
# 62 VAL QG1 64 PHE HN 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 908, 909, 910,
&end
#
# 62 VAL QG1 64 PHE HZ 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 908, 909, 910,
&end
#
# 62 VAL QG1 64 PHE QD 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 908, 909, 910,
igr2= 941, 949,
&end
#
# 62 VAL QG1 64 PHE QE 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 908, 909, 910,
igr2= 943, 947,
&end
#
# 62 VAL QG1 73 ALA QB 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 908, 909, 910,
igr2=1072,1073,1074,
&end
#
# 62 VAL QG2 64 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 912, 913, 914,
igr2= 941, 949,
&end
#
# 63 GLU- HA 64 PHE HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 920, 933, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 63 GLU- HB2 64 PHE HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 922, 933, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 63 GLU- HB3 64 PHE HN 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 923, 933, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 63 GLU- HG2 64 PHE HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 925, 933, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 63 GLU- HG3 64 PHE HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 926, 933, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 63 GLU- HN 63 GLU- HB2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 918, 922, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 63 GLU- HN 63 GLU- HB3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 918, 923, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 63 GLU- HN 63 GLU- HG2 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= 918, 925, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 63 GLU- HN 63 GLU- HG3 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= 918, 926, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 63 GLU- HN 63 GLU- QG 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 925, 926,
&end
#
# 63 GLU- HN 64 PHE HN 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= 918, 933, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 63 GLU- QG 64 PHE HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 925, 926,
&end
#
# 63 GLU- QG 65 LEU HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 925, 926,
&end
#
# 64 PHE HA 64 PHE QD 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 941, 949,
&end
#
# 64 PHE HA 65 LEU HA 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 935, 955, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 64 PHE HA 65 LEU HB2 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 935, 957, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 64 PHE HA 65 LEU HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 935, 953, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 64 PHE HB2 65 LEU HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 937, 953, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 64 PHE HB2 69 ASP- HB2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 937,1017, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 64 PHE HB2 69 ASP- HB3 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 937,1018, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 64 PHE HB2 70 ALA HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 937,1025, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 64 PHE HB3 65 LEU HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 938, 953, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 64 PHE HB3 69 ASP- HB2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 938,1017, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 64 PHE HB3 69 ASP- HB3 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 938,1018, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 64 PHE HB3 70 ALA HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 938,1025, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 64 PHE HN 64 PHE QB 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 937, 938,
&end
#
# 64 PHE HN 64 PHE QD 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 941, 949,
&end
#
# 64 PHE HN 70 ALA QB 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1029,1030,1031,
&end
#
# 64 PHE HZ 73 ALA QB 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1072,1073,1074,
&end
#
# 64 PHE QB 65 LEU HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 937, 938,
&end
#
# 64 PHE QB 66 SER HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 937, 938,
&end
#
# 64 PHE QB 69 ASP- HB2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 937, 938,
&end
#
# 64 PHE QB 70 ALA HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 937, 938,
&end
#
# 64 PHE QB 70 ALA QB 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 937, 938,
igr2=1029,1030,1031,
&end
#
# 64 PHE QD 65 LEU HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 941, 949,
&end
#
# 64 PHE QD 66 SER HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 941, 949,
&end
#
# 64 PHE QD 69 ASP- HB3 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 941, 949,
&end
#
# 64 PHE QD 70 ALA HA 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 941, 949,
&end
#
# 64 PHE QD 70 ALA QB 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 941, 949,
igr2=1029,1030,1031,
&end
#
# 64 PHE QE 70 ALA HA 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 943, 947,
&end
#
# 64 PHE QE 73 ALA QB 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 943, 947,
igr2=1072,1073,1074,
&end
#
# 65 LEU HA 65 LEU HG 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 955, 960, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 65 LEU HA 65 LEU QD1 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 962, 963, 964,
&end
#
# 65 LEU HA 66 SER HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 955, 972, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 65 LEU HB2 65 LEU QD1 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 962, 963, 964,
&end
#
# 65 LEU HB2 65 LEU QD2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 966, 967, 968,
&end
#
# 65 LEU HB2 66 SER HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 957, 972, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 65 LEU HB3 65 LEU QD1 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 962, 963, 964,
&end
#
# 65 LEU HB3 65 LEU QD2 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 966, 967, 968,
&end
#
# 65 LEU HB3 66 SER HA 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 958, 974, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 65 LEU HB3 66 SER HB2 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 958, 976, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 65 LEU HB3 66 SER HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 958, 972, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 65 LEU HG 66 SER HB2 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= 960, 976, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 65 LEU HG 66 SER HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 960, 977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 LEU HN 65 LEU HB2 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 953, 957, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 65 LEU HN 65 LEU HB3 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 953, 958, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 65 LEU HN 65 LEU HG 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 953, 960, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 65 LEU HN 65 LEU QD1 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 962, 963, 964,
&end
#
# 65 LEU HN 65 LEU QD2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 966, 967, 968,
&end
#
# 65 LEU HN 66 SER HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 953, 972, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 65 LEU HN 69 ASP- HB2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 953,1017, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 65 LEU HN 69 ASP- HB3 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 953,1018, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 65 LEU QD2 66 SER HB2 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 966, 967, 968,
&end
#
# 66 SER HA 67 GLU- HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 974, 987, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 SER HA 67 GLU- HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 974, 988, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 SER HA 67 GLU- HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 974, 983, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 66 SER HA 68 GLU- HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 974, 998, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 66 SER HB2 67 GLU- HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 976, 983, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 66 SER HB2 67 GLU- QB 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 987, 988,
&end
#
# 66 SER HB2 68 GLU- HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 976, 998, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 66 SER HB2 68 GLU- QG 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1005,1006,
&end
#
# 66 SER HB2 69 ASP- HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 976,1013, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 66 SER HB3 67 GLU- HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 977, 983, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 66 SER HB3 67 GLU- QB 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 987, 988,
&end
#
# 66 SER HB3 68 GLU- HG2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 977,1005, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 66 SER HB3 68 GLU- HG3 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 977,1006, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 66 SER HB3 68 GLU- HN 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 977, 998, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 66 SER HB3 69 ASP- HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 977,1013, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 66 SER HN 66 SER HB2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 972, 976, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 66 SER HN 66 SER HB3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 972, 977, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 66 SER HN 67 GLU- HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 972, 983, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 66 SER HN 69 ASP- HB2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 972,1017, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 66 SER HN 69 ASP- HB3 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 972,1018, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 66 SER HN 69 ASP- HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 972,1013, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 67 GLU- HA 67 GLU- HG2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 985, 990, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 67 GLU- HA 67 GLU- HG3 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 985, 991, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 67 GLU- HA 67 GLU- QG 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 990, 991,
&end
#
# 67 GLU- HA 70 ALA HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 985,1025, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 67 GLU- HA 70 ALA QB 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1029,1030,1031,
&end
#
# 67 GLU- HA 71 ASP- HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 985,1035, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 67 GLU- HB2 70 ALA HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 987,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 GLU- HB2 70 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1029,1030,1031,
&end
#
# 67 GLU- HB3 70 ALA HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 988,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 GLU- HB3 70 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1029,1030,1031,
&end
#
# 67 GLU- HN 67 GLU- HB2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 983, 987, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 67 GLU- HN 67 GLU- HB3 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 983, 988, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 67 GLU- HN 67 GLU- HG2 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= 983, 990, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 67 GLU- HN 67 GLU- HG3 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= 983, 991, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 67 GLU- HN 67 GLU- QB 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 987, 988,
&end
#
# 67 GLU- HN 67 GLU- QG 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 990, 991,
&end
#
# 67 GLU- HN 68 GLU- HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 983, 998, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 67 GLU- HN 68 GLU- QG 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1005,1006,
&end
#
# 67 GLU- QB 68 GLU- HN 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 998, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr1= 987, 988,
&end
#
# 67 GLU- QG 70 ALA QB 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 990, 991,
igr2=1029,1030,1031,
&end
#
# 67 GLU- QG 91 LYS+ QE 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 990, 991,
igr2=1394,1395,
&end
#
# 68 GLU- HA 68 GLU- QG 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1005,1006,
&end
#
# 68 GLU- HA 70 ALA HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1000,1025, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 68 GLU- HA 71 ASP- HB2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1000,1039, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 68 GLU- HA 71 ASP- HB3 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1000,1040, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 68 GLU- HA 71 ASP- HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1000,1035, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 68 GLU- HA 71 ASP- QB 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2=1039,1040,
&end
#
# 68 GLU- HA 72 TYR HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1000,1047, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 68 GLU- HB2 69 ASP- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1002,1013, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 68 GLU- HB3 69 ASP- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1003,1013, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 68 GLU- HN 68 GLU- HB2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 998,1002, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 68 GLU- HN 68 GLU- HB3 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 998,1003, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 68 GLU- HN 68 GLU- HG2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 998,1005, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 68 GLU- HN 68 GLU- HG3 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 998,1006, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 68 GLU- HN 68 GLU- QB 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1002,1003,
&end
#
# 68 GLU- HN 68 GLU- QG 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1005,1006,
&end
#
# 68 GLU- HN 69 ASP- HN 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 998,1013, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 68 GLU- HN 70 ALA HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 998,1025, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 68 GLU- HN 71 ASP- HN 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 998,1035, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 68 GLU- QB 69 ASP- HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1002,1003,
&end
#
# 68 GLU- QB 70 ALA HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1002,1003,
&end
#
# 69 ASP- HA 70 ALA HA 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat=1015,1027, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 69 ASP- HA 72 TYR HB2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1015,1051, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 69 ASP- HA 72 TYR HB3 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1015,1052, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 69 ASP- HA 72 TYR HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1015,1047, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 69 ASP- HA 73 ALA HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1015,1068, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 69 ASP- HB2 70 ALA HN 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=1017,1025, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 69 ASP- HB2 70 ALA QB 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1029,1030,1031,
&end
#
# 69 ASP- HB3 70 ALA HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1018,1025, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 69 ASP- HB3 70 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1029,1030,1031,
&end
#
# 69 ASP- HN 69 ASP- HB2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1013,1017, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 69 ASP- HN 69 ASP- HB3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1013,1018, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 69 ASP- HN 70 ALA HN 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat=1013,1025, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 70 ALA HA 72 TYR HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1027,1047, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 70 ALA HA 73 ALA HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1027,1068, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 70 ALA HA 73 ALA QB 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1072,1073,1074,
&end
#
# 70 ALA HA 74 ILE HN 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat=1027,1078, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 70 ALA HN 70 ALA QB 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1029,1030,1031,
&end
#
# 70 ALA HN 71 ASP- HN 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat=1025,1035, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 70 ALA HN 72 TYR HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=1025,1047, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 70 ALA HN 73 ALA HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1025,1068, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 70 ALA HN 74 ILE QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1091,1092,1093,
&end
#
# 70 ALA QB 71 ASP- HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1029,1030,1031,
&end
#
# 70 ALA QB 71 ASP- QB 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1029,1030,1031,
igr2=1039,1040,
&end
#
# 70 ALA QB 72 TYR HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1029,1030,1031,
&end
#
# 70 ALA QB 74 ILE QD1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1029,1030,1031,
igr2=1091,1092,1093,
&end
#
# 70 ALA QB 91 LYS+ HD2 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1029,1030,1031,
&end
#
# 70 ALA QB 91 LYS+ HD3 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1029,1030,1031,
&end
#
# 70 ALA QB 91 LYS+ QD 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1029,1030,1031,
igr2=1391,1392,
&end
#
# 70 ALA QB 91 LYS+ QE 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1029,1030,1031,
igr2=1394,1395,
&end
#
# 71 ASP- HA 73 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1072,1073,1074,
&end
#
# 71 ASP- HA 74 ILE HB 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1037,1082, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 ASP- HA 74 ILE HG12 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat=1037,1088, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 71 ASP- HA 74 ILE HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat=1037,1078, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 71 ASP- HA 74 ILE QD1 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1091,1092,1093,
&end
#
# 71 ASP- HA 74 ILE QG2 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1084,1085,1086,
&end
#
# 71 ASP- HA 91 LYS+ QE 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1394,1395,
&end
#
# 71 ASP- HB2 72 TYR HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1039,1047, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 71 ASP- HB3 72 TYR HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1040,1047, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 71 ASP- HN 71 ASP- HB2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=1035,1039, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 71 ASP- HN 71 ASP- HB3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=1035,1040, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 71 ASP- HN 71 ASP- QB 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1039,1040,
&end
#
# 71 ASP- HN 72 TYR HN 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=1035,1047, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 71 ASP- QB 72 TYR HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1=1039,1040,
&end
#
# 71 ASP- QB 74 ILE HB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1039,1040,
&end
#
# 71 ASP- QB 74 ILE QD1 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1039,1040,
igr2=1091,1092,1093,
&end
#
# 72 TYR HA 72 TYR QD 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1055,1064,
&end
#
# 72 TYR HA 72 TYR QE 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1057,1062,
&end
#
# 72 TYR HA 73 ALA HA 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1049,1070, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 72 TYR HA 73 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1072,1073,1074,
&end
#
# 72 TYR HA 75 LYS+ HB2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1049,1101, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 72 TYR HA 75 LYS+ HB3 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat=1049,1102, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 72 TYR HA 75 LYS+ HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat=1049,1097, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 72 TYR HA 75 LYS+ QD 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1107,1108,
&end
#
# 72 TYR HA 75 LYS+ QG 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1104,1105,
&end
#
# 72 TYR HA 76 ILE QG2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1125,1126,1127,
&end
#
# 72 TYR HB2 73 ALA HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1051,1068, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 72 TYR HB3 73 ALA HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1052,1068, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 72 TYR HB3 73 ALA QB 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1072,1073,1074,
&end
#
# 72 TYR HN 72 TYR HB2 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat=1047,1051, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 72 TYR HN 72 TYR HB3 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat=1047,1052, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 72 TYR HN 72 TYR QD 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1055,1064,
&end
#
# 72 TYR HN 73 ALA HN 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat=1047,1068, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 72 TYR HN 73 ALA QB 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1072,1073,1074,
&end
#
# 72 TYR HN 74 ILE HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1047,1082, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 TYR HN 74 ILE HG13 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1047,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 TYR HN 75 LYS+ HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1047,1102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 TYR QD 73 ALA HA 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1055,1064,
&end
#
# 72 TYR QD 73 ALA HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1055,1064,
&end
#
# 72 TYR QD 75 LYS+ HB3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1055,1064,
&end
#
# 72 TYR QD 75 LYS+ QD 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1055,1064,
igr2=1107,1108,
&end
#
# 72 TYR QD 76 ILE QD1 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1055,1064,
igr2=1132,1133,1134,
&end
#
# 72 TYR QD 76 ILE QG2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1055,1064,
igr2=1125,1126,1127,
&end
#
# 72 TYR QE 76 ILE HG12 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1057,1062,
&end
#
# 72 TYR QE 76 ILE HG13 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1057,1062,
&end
#
# 72 TYR QE 76 ILE QD1 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1057,1062,
igr2=1132,1133,1134,
&end
#
# 72 TYR QE 76 ILE QG2 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1057,1062,
igr2=1125,1126,1127,
&end
#
# 73 ALA HA 75 LYS+ HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1070,1097, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 73 ALA HA 76 ILE HB 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat=1070,1123, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 73 ALA HA 76 ILE HG12 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1070,1129, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 73 ALA HA 76 ILE HG13 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1070,1130, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 73 ALA HA 76 ILE HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1070,1119, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 73 ALA HA 76 ILE QD1 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1132,1133,1134,
&end
#
# 73 ALA HA 76 ILE QG2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1125,1126,1127,
&end
#
# 73 ALA HA 77 MET HG2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1070,1145, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 73 ALA HA 77 MET HG3 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat=1070,1146, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 73 ALA HA 77 MET HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1070,1138, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 73 ALA HN 73 ALA QB 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1072,1073,1074,
&end
#
# 73 ALA HN 74 ILE HG13 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1068,1089, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 73 ALA HN 74 ILE HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat=1068,1078, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 73 ALA HN 74 ILE QD1 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1091,1092,1093,
&end
#
# 73 ALA QB 74 ILE HA 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1072,1073,1074,
&end
#
# 73 ALA QB 74 ILE HG12 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1072,1073,1074,
&end
#
# 73 ALA QB 74 ILE HG13 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1072,1073,1074,
&end
#
# 73 ALA QB 74 ILE HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1072,1073,1074,
&end
#
# 73 ALA QB 76 ILE HG12 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1072,1073,1074,
&end
#
# 73 ALA QB 76 ILE QD1 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1072,1073,1074,
igr2=1132,1133,1134,
&end
#
# 73 ALA QB 77 MET HB3 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1072,1073,1074,
&end
#
# 73 ALA QB 77 MET HG2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1072,1073,1074,
&end
#
# 73 ALA QB 77 MET HG3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1072,1073,1074,
&end
#
# 73 ALA QB 89 VAL QG1 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1072,1073,1074,
igr2=1357,1358,1359,
&end
#
# 74 ILE HA 74 ILE HG12 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1080,1088, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 74 ILE HA 74 ILE HG13 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1080,1089, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 74 ILE HA 74 ILE QD1 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1091,1092,1093,
&end
#
# 74 ILE HA 74 ILE QG2 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1084,1085,1086,
&end
#
# 74 ILE HA 77 MET HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1080,1138, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 74 ILE HA 78 ASP- HA 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat=1080,1157, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 74 ILE HA 78 ASP- HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1080,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 ILE HA 78 ASP- QB 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1159,1160,
&end
#
# 74 ILE HA 89 VAL HB 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1080,1355, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 74 ILE HA 89 VAL HN 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat=1080,1351, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 74 ILE HA 89 VAL QG1 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1357,1358,1359,
&end
#
# 74 ILE HA 89 VAL QG2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1361,1362,1363,
&end
#
# 74 ILE HB 74 ILE QD1 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1091,1092,1093,
&end
#
# 74 ILE HB 75 LYS+ HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1082,1097, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 74 ILE HB 90 ASN HA 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat=1082,1369, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 74 ILE HG12 89 VAL HB 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat=1088,1355, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 74 ILE HG12 89 VAL QG1 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1357,1358,1359,
&end
#
# 74 ILE HG12 90 ASN HA 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1088,1369, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 74 ILE HG12 91 LYS+ HA 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat=1088,1383, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 74 ILE HG13 75 LYS+ HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1089,1097, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 74 ILE HG13 90 ASN HA 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat=1089,1369, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 74 ILE HN 74 ILE HB 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1078,1082, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 74 ILE HN 74 ILE HG12 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1078,1088, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 74 ILE HN 74 ILE HG13 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat=1078,1089, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 74 ILE HN 74 ILE QD1 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1091,1092,1093,
&end
#
# 74 ILE HN 74 ILE QG2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1084,1085,1086,
&end
#
# 74 ILE HN 75 LYS+ HN 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat=1078,1097, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 74 ILE HN 89 VAL QG1 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1357,1358,1359,
&end
#
# 74 ILE QD1 75 LYS+ HN 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1091,1092,1093,
&end
#
# 74 ILE QD1 90 ASN HA 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1091,1092,1093,
&end
#
# 74 ILE QD1 90 ASN QB 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1091,1092,1093,
igr2=1371,1372,
&end
#
# 74 ILE QD1 91 LYS+ HA 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1091,1092,1093,
&end
#
# 74 ILE QD1 91 LYS+ HB2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1091,1092,1093,
&end
#
# 74 ILE QD1 91 LYS+ HB3 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1091,1092,1093,
&end
#
# 74 ILE QD1 91 LYS+ HD2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1091,1092,1093,
&end
#
# 74 ILE QD1 91 LYS+ HD3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1091,1092,1093,
&end
#
# 74 ILE QD1 91 LYS+ HE2 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1091,1092,1093,
&end
#
# 74 ILE QD1 91 LYS+ HE3 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1091,1092,1093,
&end
#
# 74 ILE QD1 91 LYS+ HG2 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr1=1091,1092,1093,
&end
#
# 74 ILE QD1 91 LYS+ HG3 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1091,1092,1093,
&end
#
# 74 ILE QD1 91 LYS+ HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1091,1092,1093,
&end
#
# 74 ILE QD1 91 LYS+ QD 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1091,1092,1093,
igr2=1391,1392,
&end
#
# 74 ILE QD1 91 LYS+ QE 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1091,1092,1093,
igr2=1394,1395,
&end
#
# 74 ILE QD1 92 ALA HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1091,1092,1093,
&end
#
# 74 ILE QG2 75 LYS+ HA 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1084,1085,1086,
&end
#
# 74 ILE QG2 75 LYS+ HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1084,1085,1086,
&end
#
# 74 ILE QG2 78 ASP- HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1084,1085,1086,
&end
#
# 74 ILE QG2 78 ASP- HB2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1084,1085,1086,
&end
#
# 74 ILE QG2 78 ASP- HB3 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1084,1085,1086,
&end
#
# 74 ILE QG2 89 VAL HB 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1084,1085,1086,
&end
#
# 74 ILE QG2 90 ASN HA 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1084,1085,1086,
&end
#
# 74 ILE QG2 90 ASN HB2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1084,1085,1086,
&end
#
# 74 ILE QG2 90 ASN HB3 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1372, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1084,1085,1086,
&end
#
# 74 ILE QG2 90 ASN QB 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1084,1085,1086,
igr2=1371,1372,
&end
#
# 74 ILE QG2 91 LYS+ HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1084,1085,1086,
&end
#
# 74 ILE QG2 91 LYS+ HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1084,1085,1086,
&end
#
# 74 ILE QG2 91 LYS+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1392, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1084,1085,1086,
&end
#
# 74 ILE QG2 91 LYS+ HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1084,1085,1086,
&end
#
# 74 ILE QG2 91 LYS+ QD 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1084,1085,1086,
igr2=1391,1392,
&end
#
# 75 LYS+ HA 75 LYS+ HD2 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat=1099,1107, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 75 LYS+ HA 75 LYS+ HD3 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat=1099,1108, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 75 LYS+ HA 75 LYS+ HG2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1099,1104, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 75 LYS+ HA 75 LYS+ HG3 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1099,1105, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 75 LYS+ HA 75 LYS+ QD 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1107,1108,
&end
#
# 75 LYS+ HA 75 LYS+ QG 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1104,1105,
&end
#
# 75 LYS+ HA 76 ILE HA 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1099,1121, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 75 LYS+ HA 76 ILE QG2 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1125,1126,1127,
&end
#
# 75 LYS+ HB2 75 LYS+ QD 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1107,1108,
&end
#
# 75 LYS+ HB2 76 ILE HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=1101,1119, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 75 LYS+ HB2 76 ILE QG2 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1125,1126,1127,
&end
#
# 75 LYS+ HB3 76 ILE HA 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat=1102,1121, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 75 LYS+ HB3 76 ILE HG12 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1102,1129, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 75 LYS+ HB3 76 ILE HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1102,1119, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 75 LYS+ HB3 76 ILE QG2 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1125,1126,1127,
&end
#
# 75 LYS+ HB3 77 MET HN 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat=1102,1138, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 75 LYS+ HD2 76 ILE QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1125,1126,1127,
&end
#
# 75 LYS+ HD3 76 ILE QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1125,1126,1127,
&end
#
# 75 LYS+ HG2 76 ILE HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1104,1119, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 75 LYS+ HG3 76 ILE HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1105,1119, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 75 LYS+ HN 75 LYS+ HB2 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat=1097,1101, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 75 LYS+ HN 75 LYS+ HB3 1.80 2.79
&rst
ixpk= 0, nxpk= 0, iat=1097,1102, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 75 LYS+ HN 75 LYS+ HG2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1097,1104, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 75 LYS+ HN 75 LYS+ HG3 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1097,1105, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 75 LYS+ HN 76 ILE HG12 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat=1097,1129, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 75 LYS+ HN 76 ILE HN 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat=1097,1119, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 75 LYS+ HN 76 ILE QG2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1125,1126,1127,
&end
#
# 75 LYS+ HN 77 MET HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat=1097,1138, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 75 LYS+ HN 78 ASP- HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1097,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LYS+ QG 76 ILE HA 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1104,1105,
&end
#
# 75 LYS+ QG 76 ILE HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1104,1105,
&end
#
# 75 LYS+ QG 76 ILE QG2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1104,1105,
igr2=1125,1126,1127,
&end
#
# 76 ILE HA 76 ILE HG12 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=1121,1129, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 76 ILE HA 76 ILE HG13 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=1121,1130, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 76 ILE HA 76 ILE QD1 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1132,1133,1134,
&end
#
# 76 ILE HA 76 ILE QG2 1.80 2.88
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=1125,1126,1127,
&end
#
# 76 ILE HA 78 ASP- HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat=1121,1155, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 76 ILE HB 76 ILE QD1 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1132,1133,1134,
&end
#
# 76 ILE HB 77 MET HG3 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat=1123,1146, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 76 ILE HB 77 MET HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat=1123,1138, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 76 ILE HG12 77 MET HG2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1129,1145, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 76 ILE HG12 77 MET HG3 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat=1129,1146, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 76 ILE HG12 77 MET HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat=1129,1138, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 76 ILE HG13 77 MET HG2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1130,1145, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 76 ILE HG13 77 MET HG3 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1130,1146, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 76 ILE HG13 77 MET HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1130,1138, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 76 ILE HN 76 ILE HB 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1119,1123, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 76 ILE HN 76 ILE HG12 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1119,1129, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 76 ILE HN 76 ILE HG13 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat=1119,1130, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 76 ILE HN 76 ILE QD1 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1132,1133,1134,
&end
#
# 76 ILE HN 76 ILE QG2 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1125,1126,1127,
&end
#
# 76 ILE HN 77 MET HN 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=1119,1138, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 76 ILE HN 78 ASP- HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1119,1155, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 76 ILE QD1 77 MET HG2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1132,1133,1134,
&end
#
# 76 ILE QD1 77 MET HG3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1132,1133,1134,
&end
#
# 76 ILE QD1 77 MET HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1132,1133,1134,
&end
#
# 76 ILE QD1 77 MET QE 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1132,1133,1134,
igr2=1149,1150,1151,
&end
#
# 76 ILE QG2 76 ILE HG12 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1125,1126,1127,
&end
#
# 76 ILE QG2 76 ILE HG13 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1125,1126,1127,
&end
#
# 76 ILE QG2 77 MET HG2 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1125,1126,1127,
&end
#
# 76 ILE QG2 77 MET HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1125,1126,1127,
&end
#
# 77 MET HB2 80 ILE QD1 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1197,1198,1199,
&end
#
# 77 MET HB2 87 ILE QD1 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1321,1322,1323,
&end
#
# 77 MET HB2 89 VAL QG1 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1357,1358,1359,
&end
#
# 77 MET HB2 89 VAL QG2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1361,1362,1363,
&end
#
# 77 MET HB3 77 MET QE 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1149,1150,1151,
&end
#
# 77 MET HB3 80 ILE QD1 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1197,1198,1199,
&end
#
# 77 MET HB3 89 VAL QG1 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1357,1358,1359,
&end
#
# 77 MET HB3 89 VAL QG2 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1361,1362,1363,
&end
#
# 77 MET HG2 77 MET QE 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1149,1150,1151,
&end
#
# 77 MET HG2 78 ASP- HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1145,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 MET HG2 80 ILE QD1 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1197,1198,1199,
&end
#
# 77 MET HG2 89 VAL QG2 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1361,1362,1363,
&end
#
# 77 MET HG3 77 MET QE 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1146, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1149,1150,1151,
&end
#
# 77 MET HN 77 MET HB2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1138,1142, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 77 MET HN 77 MET HB3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1138,1143, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 77 MET HN 77 MET HG2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1138,1145, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 77 MET HN 77 MET HG3 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1138,1146, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 77 MET HN 78 ASP- HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat=1138,1155, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 77 MET HN 78 ASP- QB 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1159,1160,
&end
#
# 77 MET HN 89 VAL QG1 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1357,1358,1359,
&end
#
# 77 MET HN 89 VAL QG2 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1361,1362,1363,
&end
#
# 78 ASP- HA 79 MET HN 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat=1157,1167, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 78 ASP- HA 80 ILE HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=1157,1184, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 78 ASP- HA 80 ILE QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1197,1198,1199,
&end
#
# 78 ASP- HA 88 ARG+ HA 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1157,1329, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 78 ASP- HA 89 VAL HB 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1157,1355, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 78 ASP- HA 89 VAL HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1157,1351, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 78 ASP- HA 89 VAL QG1 1.80 5.48
&rst
ixpk= 0, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=1357,1358,1359,
&end
#
# 78 ASP- HA 89 VAL QG2 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1361,1362,1363,
&end
#
# 78 ASP- HB2 89 VAL HB 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1159,1355, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 78 ASP- HB2 89 VAL HN 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat=1159,1351, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 78 ASP- HB2 89 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1357,1358,1359,
&end
#
# 78 ASP- HB2 89 VAL QG2 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1361,1362,1363,
&end
#
# 78 ASP- HB3 89 VAL HB 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1160,1355, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 78 ASP- HB3 89 VAL HN 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat=1160,1351, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 78 ASP- HB3 89 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1357,1358,1359,
&end
#
# 78 ASP- HB3 89 VAL QG2 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1361,1362,1363,
&end
#
# 78 ASP- HN 78 ASP- HB2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1155,1159, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 78 ASP- HN 78 ASP- HB3 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1155,1160, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 78 ASP- HN 78 ASP- QB 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1159,1160,
&end
#
# 78 ASP- HN 79 MET HN 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat=1155,1167, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 78 ASP- HN 80 ILE HB 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat=1155,1188, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 78 ASP- HN 80 ILE HN 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1155,1184, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 78 ASP- HN 80 ILE QD1 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1197,1198,1199,
&end
#
# 78 ASP- HN 80 ILE QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1190,1191,1192,
&end
#
# 78 ASP- HN 89 VAL HB 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat=1155,1355, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 78 ASP- HN 89 VAL QG2 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1361,1362,1363,
&end
#
# 78 ASP- QB 89 VAL HB 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1159,1160,
&end
#
# 78 ASP- QB 89 VAL HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1159,1160,
&end
#
# 78 ASP- QB 89 VAL QG1 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1159,1160,
igr2=1357,1358,1359,
&end
#
# 78 ASP- QB 89 VAL QG2 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1159,1160,
igr2=1361,1362,1363,
&end
#
# 79 MET HA 79 MET HG2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1169,1174, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 79 MET HA 79 MET HG3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1169,1175, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 79 MET HA 79 MET QE 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1178,1179,1180,
&end
#
# 79 MET HA 79 MET QG 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1174,1175,
&end
#
# 79 MET HA 86 PRO HB2 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1169,1301, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 79 MET HA 86 PRO HB3 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat=1169,1302, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 79 MET HA 87 ILE HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1169,1308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 MET HA 88 ARG+ HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1169,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 MET HA 88 ARG+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1169,1338, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 MET HB2 79 MET QE 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1178,1179,1180,
&end
#
# 79 MET HB3 79 MET QE 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1178,1179,1180,
&end
#
# 79 MET HG2 79 MET QE 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1178,1179,1180,
&end
#
# 79 MET HG3 79 MET QE 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1178,1179,1180,
&end
#
# 79 MET HN 79 MET QE 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1178,1179,1180,
&end
#
# 79 MET HN 79 MET QG 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1174,1175,
&end
#
# 79 MET HN 80 ILE HB 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat=1167,1188, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 79 MET HN 80 ILE HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat=1167,1184, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 79 MET HN 88 ARG+ HA 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1167,1329, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 79 MET HN 88 ARG+ HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1167,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 MET HN 88 ARG+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1167,1338, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 MET HN 88 ARG+ QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1331,1332,
&end
#
# 79 MET HN 89 VAL HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1167,1351, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 79 MET HN 89 VAL QG2 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1361,1362,1363,
&end
#
# 79 MET QB 79 MET QE 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1171,1172,
igr2=1178,1179,1180,
&end
#
# 79 MET QE 88 ARG+ HD2 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1178,1179,1180,
&end
#
# 79 MET QE 88 ARG+ HD3 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1178,1179,1180,
&end
#
# 79 MET QE 88 ARG+ QD 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1178,1179,1180,
igr2=1337,1338,
&end
#
# 79 MET QG 79 MET QE 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1174,1175,
igr2=1178,1179,1180,
&end
#
# 79 MET QG 88 ARG+ QD 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1174,1175,
igr2=1337,1338,
&end
#
# 80 ILE HA 80 ILE HG12 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat=1186,1194, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 80 ILE HA 80 ILE HG13 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=1186,1195, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 80 ILE HA 80 ILE QD1 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1197,1198,1199,
&end
#
# 80 ILE HA 80 ILE QG2 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1190,1191,1192,
&end
#
# 80 ILE HA 81 LYS+ HB2 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=1186,1207, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 80 ILE HA 81 LYS+ HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1186,1203, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 80 ILE HA 87 ILE QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1321,1322,1323,
&end
#
# 80 ILE HB 80 ILE QD1 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1197,1198,1199,
&end
#
# 80 ILE HB 81 LYS+ HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1188,1203, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 80 ILE HG12 81 LYS+ HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat=1194,1203, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 80 ILE HG13 81 LYS+ HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat=1195,1203, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 80 ILE HN 80 ILE HB 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1184,1188, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 80 ILE HN 80 ILE HG12 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1184,1194, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 80 ILE HN 80 ILE HG13 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat=1184,1195, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 80 ILE HN 80 ILE QD1 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1197,1198,1199,
&end
#
# 80 ILE HN 80 ILE QG2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1190,1191,1192,
&end
#
# 80 ILE HN 81 LYS+ HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1184,1203, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 80 ILE HN 87 ILE HG12 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1184,1318, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 80 ILE HN 87 ILE HG13 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1184,1319, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 80 ILE HN 87 ILE HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1184,1308, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 80 ILE HN 87 ILE QD1 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1321,1322,1323,
&end
#
# 80 ILE HN 89 VAL QG2 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1361,1362,1363,
&end
#
# 80 ILE QD1 81 LYS+ HN 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1197,1198,1199,
&end
#
# 80 ILE QG2 80 ILE HG13 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1190,1191,1192,
&end
#
# 80 ILE QG2 81 LYS+ HB2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1190,1191,1192,
&end
#
# 80 ILE QG2 81 LYS+ HN 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1190,1191,1192,
&end
#
# 80 ILE QG2 82 LEU HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1190,1191,1192,
&end
#
# 80 ILE QG2 87 ILE HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1308, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1190,1191,1192,
&end
#
# 81 LYS+ HA 81 LYS+ HE2 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1205,1216, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 81 LYS+ HA 81 LYS+ HG2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1205,1210, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 81 LYS+ HA 81 LYS+ HG3 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1205,1211, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 81 LYS+ HA 82 LEU HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat=1205,1225, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 81 LYS+ HA 85 LYS+ HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1205,1272, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 81 LYS+ HA 86 PRO HB3 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1205,1302, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 81 LYS+ HA 87 ILE HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1205,1308, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 81 LYS+ HB2 81 LYS+ HD3 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1207,1214, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 81 LYS+ HB2 81 LYS+ HE2 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1207,1216, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 81 LYS+ HB2 82 LEU HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1207,1225, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 81 LYS+ HB2 84 GLY HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1207,1265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 LYS+ HB3 81 LYS+ HD3 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1208,1214, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 81 LYS+ HB3 81 LYS+ HE2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1208,1216, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 81 LYS+ HB3 82 LEU HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1208,1225, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 81 LYS+ HB3 84 GLY HA2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1208,1267, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 81 LYS+ HB3 84 GLY HN 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1208,1265, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 81 LYS+ HB3 85 LYS+ HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=1208,1272, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 81 LYS+ HD3 84 GLY HA2 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat=1214,1267, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 81 LYS+ HD3 86 PRO HD3 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1214,1296, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 81 LYS+ HE2 84 GLY HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1216,1265, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 81 LYS+ HE2 86 PRO HB3 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1216,1302, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 81 LYS+ HE2 86 PRO HD2 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1216,1295, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 81 LYS+ HE2 86 PRO HD3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1216,1296, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 81 LYS+ HE3 86 PRO HB3 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat=1217,1302, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 81 LYS+ HE3 86 PRO HD2 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat=1217,1295, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 81 LYS+ HE3 86 PRO HD3 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=1217,1296, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 81 LYS+ HG2 81 LYS+ HE2 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1210,1216, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 81 LYS+ HG2 81 LYS+ HE3 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1210,1217, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 81 LYS+ HG2 85 LYS+ HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1210,1272, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 81 LYS+ HG2 86 PRO HA 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1210,1304, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 81 LYS+ HG2 86 PRO HB3 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1210,1302, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 81 LYS+ HG2 86 PRO HD2 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat=1210,1295, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 81 LYS+ HG2 86 PRO HD3 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1210,1296, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 81 LYS+ HG3 81 LYS+ HE2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1211,1216, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 81 LYS+ HG3 86 PRO HA 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1211,1304, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 81 LYS+ HG3 86 PRO HB3 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1211,1302, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 81 LYS+ HN 81 LYS+ HB2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1203,1207, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 81 LYS+ HN 81 LYS+ HB3 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat=1203,1208, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 81 LYS+ HN 81 LYS+ HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1203,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 LYS+ HN 81 LYS+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1203,1214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 LYS+ HN 81 LYS+ HE2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1203,1216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 LYS+ HN 81 LYS+ HG3 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1203,1211, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 81 LYS+ HN 82 LEU HA 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat=1203,1227, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 81 LYS+ HN 82 LEU HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=1203,1225, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 82 LEU HA 82 LEU QD1 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1234,1235,1236,
&end
#
# 82 LEU HA 82 LEU QD2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1238,1239,1240,
&end
#
# 82 LEU HB2 82 LEU QD1 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1234,1235,1236,
&end
#
# 82 LEU HB2 82 LEU QD2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1238,1239,1240,
&end
#
# 82 LEU HB2 87 ILE QG2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1314,1315,1316,
&end
#
# 82 LEU HB3 82 LEU QD2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1238,1239,1240,
&end
#
# 82 LEU HB3 87 ILE QG2 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1314,1315,1316,
&end
#
# 82 LEU HG 83 TYR QD 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1252,1261,
&end
#
# 82 LEU HN 82 LEU HB2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=1225,1229, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 82 LEU HN 82 LEU HB3 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1225,1230, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 82 LEU HN 82 LEU HG 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1225,1232, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 82 LEU HN 82 LEU QD1 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1234,1235,1236,
&end
#
# 82 LEU HN 82 LEU QD2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1238,1239,1240,
&end
#
# 82 LEU HN 85 LYS+ HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1225,1272, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 82 LEU HN 86 PRO HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1225,1304, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 82 LEU HN 87 ILE HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1225,1308, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 82 LEU HN 87 ILE QG2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1314,1315,1316,
&end
#
# 82 LEU QD1 83 TYR HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1234,1235,1236,
&end
#
# 82 LEU QD1 83 TYR QD 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1=1234,1235,1236,
igr2=1252,1261,
&end
#
# 82 LEU QD1 83 TYR QE 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1234,1235,1236,
igr2=1254,1259,
&end
#
# 82 LEU QD2 83 TYR QD 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1238,1239,1240,
igr2=1252,1261,
&end
#
# 82 LEU QD2 83 TYR QE 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1238,1239,1240,
igr2=1254,1259,
&end
#
# 83 TYR HN 84 GLY HN 3.20 100.0
&rst
ixpk= 0, nxpk= 0, iat=1244,1265, r1= 2.70, r2= 3.20, r3=100.00, r4=100.50, &end
#
# 83 TYR HN 85 LYS HN 5.00 100.0
&rst
ixpk= 0, nxpk= 0, iat=1244,1272, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 83 TYR HA 83 TYR QD 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1252,1261,
&end
#
# 84 GLY HN 85 LYS+ HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat=1265,1272, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 85 LYS+ HA 85 LYS+ HG2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1274,1279, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 85 LYS+ HA 85 LYS+ HG3 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1274,1280, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 85 LYS+ HA 85 LYS+ QG 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1279,1280,
&end
#
# 85 LYS+ HA 86 PRO HD2 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat=1274,1295, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 85 LYS+ HA 86 PRO HD3 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat=1274,1296, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 85 LYS+ HA 86 PRO QG 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1298,1299,
&end
#
# 85 LYS+ HB2 86 PRO HD2 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat=1276,1295, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 85 LYS+ HB3 86 PRO HD2 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat=1277,1295, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 85 LYS+ HG2 86 PRO HD2 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1279,1295, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 85 LYS+ HG3 86 PRO HD2 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1280,1295, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 85 LYS+ HN 85 LYS+ HB2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1272,1276, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 85 LYS+ HN 85 LYS+ HB3 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1272,1277, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 85 LYS+ HN 85 LYS+ HG2 1.80 5.41
&rst
ixpk= 0, nxpk= 0, iat=1272,1279, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 85 LYS+ HN 85 LYS+ HG3 1.80 5.41
&rst
ixpk= 0, nxpk= 0, iat=1272,1280, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 85 LYS+ HN 85 LYS+ QB 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1276,1277,
&end
#
# 85 LYS+ HN 85 LYS+ QG 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1279,1280,
&end
#
# 85 LYS+ HN 86 PRO HD2 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat=1272,1295, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 85 LYS+ HN 86 PRO HD3 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=1272,1296, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 85 LYS+ QB 85 LYS+ QE 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1276,1277,
igr2=1285,1286,
&end
#
# 85 LYS+ QB 86 PRO HD2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1276,1277,
&end
#
# 85 LYS+ QG 86 PRO HD2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1279,1280,
&end
#
# 85 LYS+ QG 86 PRO HD3 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1279,1280,
&end
#
# 86 PRO HA 87 ILE HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1304,1308, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 86 PRO HA 87 ILE QG2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1314,1315,1316,
&end
#
# 86 PRO HB2 87 ILE HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1301,1308, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 86 PRO HB3 86 PRO QG 1.80 2.53
&rst
ixpk= 0, nxpk= 0, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,
igr2=1298,1299,
&end
#
# 86 PRO HB3 87 ILE HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1302,1308, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 86 PRO HD2 86 PRO HB2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1295,1301, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 86 PRO HD2 86 PRO HB3 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1295,1302, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 86 PRO HD2 86 PRO HG2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1295,1298, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 86 PRO HD2 86 PRO HG3 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1295,1299, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 86 PRO HD2 86 PRO QG 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2=1298,1299,
&end
#
# 86 PRO HD3 86 PRO HB3 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=1296,1302, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 86 PRO HD3 86 PRO QG 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1298,1299,
&end
#
# 87 ILE HA 87 ILE QD1 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1310, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1321,1322,1323,
&end
#
# 87 ILE HA 87 ILE QG2 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat=1310, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1314,1315,1316,
&end
#
# 87 ILE HA 88 ARG+ HN 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1310,1327, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 87 ILE HB 87 ILE QD1 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1321,1322,1323,
&end
#
# 87 ILE HB 88 ARG+ HN 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat=1312,1327, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 87 ILE HB 89 VAL QG2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1361,1362,1363,
&end
#
# 87 ILE HG12 89 VAL QG2 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1361,1362,1363,
&end
#
# 87 ILE HG13 89 VAL QG2 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1361,1362,1363,
&end
#
# 87 ILE HN 87 ILE HB 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1308,1312, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 87 ILE HN 87 ILE HG12 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1308,1318, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 87 ILE HN 87 ILE HG13 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1308,1319, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 87 ILE HN 87 ILE QD1 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1321,1322,1323,
&end
#
# 87 ILE HN 87 ILE QG2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1314,1315,1316,
&end
#
# 87 ILE HN 88 ARG+ HN 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat=1308,1327, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 87 ILE QD1 88 ARG+ HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1321,1322,1323,
&end
#
# 87 ILE QD1 89 VAL HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1321,1322,1323,
&end
#
# 87 ILE QD1 89 VAL QG2 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1321,1322,1323,
igr2=1361,1362,1363,
&end
#
# 87 ILE QG1 88 ARG+ HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1318,1319,
&end
#
# 87 ILE QG1 89 VAL QG2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1318,1319,
igr2=1361,1362,1363,
&end
#
# 87 ILE QG2 87 ILE QD1 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1314,1315,1316,
igr2=1321,1322,1323,
&end
#
# 87 ILE QG2 87 ILE QG1 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1314,1315,1316,
igr2=1318,1319,
&end
#
# 87 ILE QG2 88 ARG+ HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1314,1315,1316,
&end
#
# 88 ARG+ HA 88 ARG+ HD2 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1329,1337, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 88 ARG+ HA 88 ARG+ HD3 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1329,1338, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 88 ARG+ HA 88 ARG+ QD 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1337,1338,
&end
#
# 88 ARG+ HA 89 VAL HN 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat=1329,1351, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 88 ARG+ HA 89 VAL QG2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1361,1362,1363,
&end
#
# 88 ARG+ HB2 89 VAL HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=1331,1351, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 88 ARG+ HB3 89 VAL HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=1332,1351, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 88 ARG+ HD2 89 VAL HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1337,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 ARG+ HD3 89 VAL HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1338,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 ARG+ HN 88 ARG+ HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1327,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 ARG+ HN 88 ARG+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1327,1338, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 ARG+ HN 88 ARG+ HG2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1327,1334, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 88 ARG+ HN 88 ARG+ HG3 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1327,1335, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 88 ARG+ HN 88 ARG+ QB 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1331,1332,
&end
#
# 88 ARG+ HN 88 ARG+ QG 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1334,1335,
&end
#
# 88 ARG+ HN 89 VAL HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1327,1351, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 88 ARG+ HN 89 VAL QG2 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1361,1362,1363,
&end
#
# 88 ARG+ QB 89 VAL HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1331,1332,
&end
#
# 88 ARG+ QG 89 VAL HN 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1334,1335,
&end
#
# 89 VAL HA 89 VAL QG1 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1357,1358,1359,
&end
#
# 89 VAL HA 89 VAL QG2 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1361,1362,1363,
&end
#
# 89 VAL HA 90 ASN HN 1.80 2.91
&rst
ixpk= 0, nxpk= 0, iat=1353,1367, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 89 VAL HB 90 ASN HA 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat=1355,1369, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 89 VAL HB 90 ASN HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1355,1367, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 89 VAL HN 89 VAL HB 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1351,1355, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 89 VAL HN 89 VAL QG1 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1357,1358,1359,
&end
#
# 89 VAL HN 89 VAL QG2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1361,1362,1363,
&end
#
# 89 VAL HN 90 ASN HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1351,1367, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 89 VAL QG1 90 ASN HN 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1357,1358,1359,
&end
#
# 89 VAL QG1 91 LYS+ HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1357,1358,1359,
&end
#
# 89 VAL QG2 90 ASN HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1361,1362,1363,
&end
#
# 90 ASN HA 91 LYS+ HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1369,1391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 ASN HA 91 LYS+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1369,1392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 ASN HA 91 LYS+ HN 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat=1369,1381, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 90 ASN HB2 91 LYS+ HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1371,1381, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 90 ASN HB2 94 ALA QB 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1428,1429,1430,
&end
#
# 90 ASN HB3 91 LYS+ HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1372,1381, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 90 ASN HB3 94 ALA QB 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1428,1429,1430,
&end
#
# 90 ASN QB 91 LYS+ HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=1371,1372,
&end
#
# 90 ASN QB 94 ALA QB 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1371,1372,
igr2=1428,1429,1430,
&end
#
# 91 LYS+ HA 91 LYS+ HD2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1383,1391, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 91 LYS+ HA 91 LYS+ HD3 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1383,1392, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 91 LYS+ HA 91 LYS+ HG2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1383,1388, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 91 LYS+ HA 91 LYS+ QD 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1391,1392,
&end
#
# 91 LYS+ HA 91 LYS+ QE 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1394,1395,
&end
#
# 91 LYS+ HA 92 ALA HN 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat=1383,1403, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 91 LYS+ HB2 92 ALA HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1385,1403, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 91 LYS+ HB2 94 ALA QB 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1428,1429,1430,
&end
#
# 91 LYS+ HB3 92 ALA HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1386,1403, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 91 LYS+ HB3 94 ALA QB 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1428,1429,1430,
&end
#
# 91 LYS+ HG2 92 ALA HN 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat=1388,1403, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 91 LYS+ HG3 94 ALA QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1428,1429,1430,
&end
#
# 91 LYS+ HN 91 LYS+ HB2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1381,1385, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 91 LYS+ HN 91 LYS+ HB3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1381,1386, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 91 LYS+ HN 91 LYS+ HD2 1.80 5.48
&rst
ixpk= 0, nxpk= 0, iat=1381,1391, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 91 LYS+ HN 91 LYS+ HD3 1.80 5.48
&rst
ixpk= 0, nxpk= 0, iat=1381,1392, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 91 LYS+ HN 91 LYS+ HG2 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1381,1388, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 91 LYS+ HN 91 LYS+ HG3 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=1381,1389, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 91 LYS+ HN 91 LYS+ QB 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1385,1386,
&end
#
# 91 LYS+ HN 91 LYS+ QD 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1391,1392,
&end
#
# 91 LYS+ HN 92 ALA HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat=1381,1403, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 91 LYS+ HN 94 ALA QB 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1428,1429,1430,
&end
#
# 91 LYS+ QB 91 LYS+ QE 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1385,1386,
igr2=1394,1395,
&end
#
# 91 LYS+ QB 92 ALA HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1385,1386,
&end
#
# 91 LYS+ QB 94 ALA QB 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1385,1386,
igr2=1428,1429,1430,
&end
#
# 91 LYS+ QD 92 ALA HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1391,1392,
&end
#
# 92 ALA HN 92 ALA QB 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1407,1408,1409,
&end
#
# 92 ALA QB 93 SER HA 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1407,1408,1409,
&end
#
# 92 ALA QB 93 SER HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1407,1408,1409,
&end
#
# 93 SER HN 93 SER QB 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1417,1418,
&end
#
# 94 ALA HN 94 ALA QB 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1428,1429,1430,
&end
#
# 94 ALA QB 95 HIS HA 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1428,1429,1430,
&end
#
# 94 ALA QB 95 HIS HD2 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1428,1429,1430,
&end
#
# 95 HIS HA 95 HIS HD2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1436,1447, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 99 LEU HA 99 LEU HG 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat=1503,1508, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 99 LEU HA 99 LEU QQD 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1510,1511,1512,1514,1515,1516,
&end
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