NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
655046 |
6lr2   |
cing | 1-original | 3 | AMBER | distance | NOE | simple |
# 7 GLY HA3 8 VAL HN 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 65, 69, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
&end
#
# 7 GLY HA3 8 VAL QG1 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 75, 76, 77,
&end
#
# 7 GLY HA3 8 VAL HN 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 65, 69, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 7 GLY HA3 8 VAL QG1 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 65, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 75, 76, 77,
&end
#
# 7 GLY QA 8 VAL HB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 64, 65,
&end
#
# 7 GLY QA 8 VAL QG1 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 64, 65,
igr2= 75, 76, 77,
&end
#
# 8 VAL HN 8 VAL HB 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 69, 73, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 8 VAL HN 8 VAL QG1 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 75, 76, 77,
&end
#
# 8 VAL HN 8 VAL QG2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 79, 80, 81,
&end
#
# 8 VAL HN 9 ARG HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 69, 85, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 8 VAL HN 48 SER HB2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 69, 751, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 8 VAL HA 8 VAL QG1 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 75, 76, 77,
&end
#
# 8 VAL HA 8 VAL QG2 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 79, 80, 81,
&end
#
# 8 VAL HA 49 ILE HB 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 71, 762, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 8 VAL HA 49 ILE QG2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 764, 765, 766,
&end
#
# 8 VAL HA 50 VAL HA 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 71, 779, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 8 VAL HB 9 ARG HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 73, 85, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 8 VAL HB 10 TYR QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 119, 124,
&end
#
# 8 VAL HB 49 ILE HB 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 73, 762, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 8 VAL HB 49 ILE QG2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 764, 765, 766,
&end
#
# 8 VAL HB 51 TYR QD 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 801, 810,
&end
#
# 8 VAL HB 51 TYR QE 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 803, 808,
&end
#
# 8 VAL QG1 9 ARG HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 75, 76, 77,
&end
#
# 8 VAL QG1 10 TYR QE 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 75, 76, 77,
igr2= 119, 124,
&end
#
# 8 VAL QG1 48 SER HB2 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 75, 76, 77,
&end
#
# 8 VAL QG1 49 ILE HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 75, 76, 77,
&end
#
# 8 VAL QG1 49 ILE HB 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 75, 76, 77,
&end
#
# 8 VAL QG1 49 ILE QD1 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 75, 76, 77,
igr2= 771, 772, 773,
&end
#
# 8 VAL QG1 51 TYR QD 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= 75, 76, 77,
igr2= 801, 810,
&end
#
# 8 VAL QG1 51 TYR QE 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 75, 76, 77,
igr2= 803, 808,
&end
#
# 8 VAL QG1 128 PRO HA 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 75, 76, 77,
&end
#
# 8 VAL QG1 128 PRO HB3 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 75, 76, 77,
&end
#
# 8 VAL QG2 9 ARG HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 79, 80, 81,
&end
#
# 8 VAL QG2 9 ARG HA 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 87, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 79, 80, 81,
&end
#
# 8 VAL QG2 10 TYR QE 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= 79, 80, 81,
igr2= 119, 124,
&end
#
# 8 VAL QG2 49 ILE HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 79, 80, 81,
&end
#
# 8 VAL QG2 49 ILE HA 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 79, 80, 81,
&end
#
# 8 VAL QG2 49 ILE HB 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 79, 80, 81,
&end
#
# 8 VAL QG2 49 ILE 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= 79, 80, 81,
igr2= 764, 765, 766,
&end
#
# 8 VAL QG2 51 TYR HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 79, 80, 81,
&end
#
# 8 VAL QG2 51 TYR HB2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 79, 80, 81,
&end
#
# 8 VAL QG2 51 TYR HB3 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 79, 80, 81,
&end
#
# 8 VAL QG2 51 TYR QD 1.80 2.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 79, 80, 81,
igr2= 801, 810,
&end
#
# 8 VAL QG2 51 TYR QE 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 79, 80, 81,
igr2= 803, 808,
&end
#
# 9 ARG HN 9 ARG QG 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 92, 93,
&end
#
# 9 ARG HN 10 TYR HN 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= 85, 109, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 9 ARG HN 43 ALA QB 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 671, 672, 673,
&end
#
# 9 ARG HN 50 VAL HA 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 85, 779, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 9 ARG HN 50 VAL QG2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 787, 788, 789,
&end
#
# 9 ARG HN 51 TYR HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 85, 793, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 9 ARG HA 9 ARG QD 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 95, 96,
&end
#
# 9 ARG HA 9 ARG QG 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 92, 93,
&end
#
# 9 ARG HA 10 TYR QD 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 117, 126,
&end
#
# 9 ARG HB2 10 TYR HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 89, 109, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 9 ARG HB2 11 PHE QE 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 140, 144,
&end
#
# 9 ARG HB3 10 TYR HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 90, 109, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 9 ARG HB3 11 PHE QE 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 140, 144,
&end
#
# 9 ARG HD2 43 ALA QB 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 671, 672, 673,
&end
#
# 9 ARG HD3 43 ALA QB 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 671, 672, 673,
&end
#
# 9 ARG QB 9 ARG HE 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 89, 90,
&end
#
# 9 ARG QB 10 TYR HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 89, 90,
&end
#
# 9 ARG QB 11 PHE HZ 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 89, 90,
&end
#
# 9 ARG QB 11 PHE QD 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 89, 90,
igr2= 138, 146,
&end
#
# 9 ARG QB 11 PHE QE 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 89, 90,
igr2= 140, 144,
&end
#
# 9 ARG QB 50 VAL HA 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 89, 90,
&end
#
# 9 ARG QB 50 VAL QG1 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 89, 90,
igr2= 783, 784, 785,
&end
#
# 9 ARG QB 50 VAL QG2 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= 89, 90,
igr2= 787, 788, 789,
&end
#
# 9 ARG QD 43 ALA QB 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 95, 96,
igr2= 671, 672, 673,
&end
#
# 9 ARG QG 43 ALA HA 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 92, 93,
&end
#
# 9 ARG QG 43 ALA QB 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= 92, 93,
igr2= 671, 672, 673,
&end
#
# 9 ARG QG 50 VAL QG1 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= 92, 93,
igr2= 783, 784, 785,
&end
#
# 9 ARG QG 50 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= 92, 93,
igr2= 787, 788, 789,
&end
#
# 10 TYR HN 10 TYR QD 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 117, 126,
&end
#
# 10 TYR HN 11 PHE HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 109, 130, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 10 TYR HA 10 TYR QD 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 117, 126,
&end
#
# 10 TYR HA 11 PHE HN 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 111, 130, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 10 TYR HA 11 PHE QE 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 140, 144,
&end
#
# 10 TYR HA 50 VAL HA 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= 111, 779, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 10 TYR HA 50 VAL QG1 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 783, 784, 785,
&end
#
# 10 TYR HA 51 TYR HN 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 111, 793, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 10 TYR HA 51 TYR HB2 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 111, 797, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 10 TYR HA 51 TYR HB3 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 111, 798, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 10 TYR HA 126 LEU QD2 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1990,1991,1992,
&end
#
# 10 TYR HA 135 LEU QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2125,2126,2127,
&end
#
# 10 TYR HB2 11 PHE HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 113, 130, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 10 TYR HB2 126 LEU HB2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 113,1981, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 10 TYR HB2 126 LEU HB3 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 113,1982, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 10 TYR HB2 126 LEU HG 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 113,1984, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 10 TYR HB2 126 LEU QB 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1981,1982,
&end
#
# 10 TYR HB2 126 LEU QD1 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1986,1987,1988,
&end
#
# 10 TYR HB2 126 LEU QD2 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 113, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1990,1991,1992,
&end
#
# 10 TYR HB3 11 PHE HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 114, 130, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 10 TYR HB3 126 LEU HB2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 114,1981, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 10 TYR HB3 126 LEU HB3 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 114,1982, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 10 TYR HB3 126 LEU QB 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1981,1982,
&end
#
# 10 TYR HB3 126 LEU QD1 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1986,1987,1988,
&end
#
# 10 TYR HB3 126 LEU QD2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1990,1991,1992,
&end
#
# 10 TYR HB3 135 LEU QD1 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2125,2126,2127,
&end
#
# 10 TYR HB3 135 LEU QD2 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=2129,2130,2131,
&end
#
# 10 TYR QD 128 PRO HA 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 117, 126,
&end
#
# 10 TYR QD 128 PRO HB2 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 117, 126,
&end
#
# 10 TYR QD 128 PRO HB3 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 117, 126,
&end
#
# 10 TYR QE 51 TYR QD 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 119, 124,
igr2= 801, 810,
&end
#
# 10 TYR QE 53 VAL QG2 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 119, 124,
igr2= 843, 844, 845,
&end
#
# 10 TYR QE 128 PRO HA 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 119, 124,
&end
#
# 10 TYR QE 128 PRO HB2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 119, 124,
&end
#
# 10 TYR QE 128 PRO HB3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 119, 124,
&end
#
# 10 TYR QE 132 GLU HA 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 119, 124,
&end
#
# 10 TYR QE 135 LEU QD1 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 119, 124,
igr2=2125,2126,2127,
&end
#
# 10 TYR QE 135 LEU QD2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 119, 124,
igr2=2129,2130,2131,
&end
#
# 11 PHE HN 11 PHE HB2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 130, 134, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 11 PHE HN 11 PHE HB3 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 130, 135, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 11 PHE HN 11 PHE QD 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= 138, 146,
&end
#
# 11 PHE HN 11 PHE QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 140, 144,
&end
#
# 11 PHE HN 12 ILE HN 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 130, 150, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 11 PHE HN 51 TYR HB3 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 130, 798, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 11 PHE HN 52 LEU HA 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 130, 816, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 11 PHE HN 52 LEU QD2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 827, 828, 829,
&end
#
# 11 PHE HN 126 LEU HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 130,1977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE HN 126 LEU QB 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1981,1982,
&end
#
# 11 PHE HA 11 PHE QD 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 138, 146,
&end
#
# 11 PHE HA 11 PHE QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 140, 144,
&end
#
# 11 PHE HA 12 ILE HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 132, 150, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 11 PHE HA 12 ILE HB 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 132, 154, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 11 PHE HA 12 ILE HG12 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 132, 160, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 11 PHE HA 12 ILE QD1 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 163, 164, 165,
&end
#
# 11 PHE HA 40 LEU QD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 623, 624, 625,
&end
#
# 11 PHE HA 125 GLU HA 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 132,1964, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 11 PHE HA 125 GLU QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1969,1970,
&end
#
# 11 PHE HA 126 LEU HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 132,1977, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 11 PHE HA 126 LEU HB2 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 132,1981, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 11 PHE HA 126 LEU HB3 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 132,1982, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 11 PHE HA 126 LEU QB 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1981,1982,
&end
#
# 11 PHE HA 126 LEU QD2 1.80 5.48
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=1990,1991,1992,
&end
#
# 11 PHE HB2 12 ILE HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 134, 150, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 11 PHE HB2 40 LEU QD2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 623, 624, 625,
&end
#
# 11 PHE HB2 50 VAL QG1 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 783, 784, 785,
&end
#
# 11 PHE HB2 52 LEU QD2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 134, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 827, 828, 829,
&end
#
# 11 PHE HB3 12 ILE HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 135, 150, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 11 PHE HB3 40 LEU QD2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 623, 624, 625,
&end
#
# 11 PHE HB3 50 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 783, 784, 785,
&end
#
# 11 PHE HB3 52 LEU HA 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 135, 816, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 11 PHE HB3 52 LEU QD2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 827, 828, 829,
&end
#
# 11 PHE HZ 43 ALA HN 1.80 5.48
&rst
ixpk= 0, nxpk= 0, iat= 142, 667, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 11 PHE HZ 43 ALA QB 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 671, 672, 673,
&end
#
# 11 PHE HZ 50 VAL QG1 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 783, 784, 785,
&end
#
# 11 PHE QD 12 ILE HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 138, 146,
&end
#
# 11 PHE QD 39 LYS QD 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 138, 146,
igr2= 598, 599,
&end
#
# 11 PHE QD 39 LYS QE 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 138, 146,
igr2= 601, 602,
&end
#
# 11 PHE QD 39 LYS QG 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 138, 146,
igr2= 595, 596,
&end
#
# 11 PHE QD 40 LEU QD2 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= 138, 146,
igr2= 623, 624, 625,
&end
#
# 11 PHE QD 43 ALA QB 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 138, 146,
igr2= 671, 672, 673,
&end
#
# 11 PHE QD 50 VAL QG1 1.80 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 138, 146,
igr2= 783, 784, 785,
&end
#
# 11 PHE QD 52 LEU HA 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 138, 146,
&end
#
# 11 PHE QD 52 LEU HG 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 138, 146,
&end
#
# 11 PHE QD 52 LEU QD2 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 138, 146,
igr2= 827, 828, 829,
&end
#
# 11 PHE QD 125 GLU HN 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1962, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 138, 146,
&end
#
# 11 PHE QD 125 GLU HA 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1964, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 138, 146,
&end
#
# 11 PHE QD 125 GLU HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1966, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 138, 146,
&end
#
# 11 PHE QD 125 GLU HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1967, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 138, 146,
&end
#
# 11 PHE QD 125 GLU QG 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 138, 146,
igr2=1969,1970,
&end
#
# 11 PHE QD 126 LEU HN 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 138, 146,
&end
#
# 11 PHE QE 39 LYS HB3 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 140, 144,
&end
#
# 11 PHE QE 39 LYS QD 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 140, 144,
igr2= 598, 599,
&end
#
# 11 PHE QE 39 LYS QE 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 140, 144,
igr2= 601, 602,
&end
#
# 11 PHE QE 39 LYS QG 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 140, 144,
igr2= 595, 596,
&end
#
# 11 PHE QE 40 LEU HA 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 140, 144,
&end
#
# 11 PHE QE 40 LEU QD2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 140, 144,
igr2= 623, 624, 625,
&end
#
# 11 PHE QE 43 ALA QB 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 140, 144,
igr2= 671, 672, 673,
&end
#
# 11 PHE QE 50 VAL QG1 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= 140, 144,
igr2= 783, 784, 785,
&end
#
# 11 PHE QE 50 VAL QG2 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= 140, 144,
igr2= 787, 788, 789,
&end
#
# 11 PHE QE 51 TYR HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 140, 144,
&end
#
# 11 PHE QE 125 GLU HG2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1969, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 140, 144,
&end
#
# 11 PHE QE 125 GLU HG3 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1970, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 140, 144,
&end
#
# 11 PHE QE 125 GLU QB 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 140, 144,
igr2=1966,1967,
&end
#
# 11 PHE QE 125 GLU QG 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 140, 144,
igr2=1969,1970,
&end
#
# 12 ILE HN 12 ILE HB 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 150, 154, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 12 ILE HN 12 ILE HG12 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 150, 160, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 12 ILE HN 12 ILE HG13 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 150, 161, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 12 ILE HN 12 ILE QD1 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 163, 164, 165,
&end
#
# 12 ILE HN 12 ILE QG2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 156, 157, 158,
&end
#
# 12 ILE HN 13 MET HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 150, 169, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 12 ILE HN 124 GLN HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 150,1945, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 12 ILE HN 124 GLN QB 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1949,1950,
&end
#
# 12 ILE HN 126 LEU QD2 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1990,1991,1992,
&end
#
# 12 ILE HA 12 ILE HG12 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 152, 160, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 12 ILE HA 12 ILE QD1 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 163, 164, 165,
&end
#
# 12 ILE HA 12 ILE QG2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 156, 157, 158,
&end
#
# 12 ILE HA 13 MET HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 152, 169, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 12 ILE HA 53 VAL HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 152, 833, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 12 ILE HA 53 VAL HB 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 152, 837, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 12 ILE HA 53 VAL QG2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 843, 844, 845,
&end
#
# 12 ILE HB 12 ILE QD1 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 163, 164, 165,
&end
#
# 12 ILE HB 120 SER HB2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 154,1895, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 12 ILE HB 120 SER HB3 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 154,1896, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 12 ILE HB 120 SER QB 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1895,1896,
&end
#
# 12 ILE HB 124 GLN HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 154,1945, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 12 ILE HB 124 GLN QB 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1949,1950,
&end
#
# 12 ILE HG12 53 VAL HB 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 160, 837, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 12 ILE HG12 53 VAL QG1 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 839, 840, 841,
&end
#
# 12 ILE HG12 53 VAL QG2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 843, 844, 845,
&end
#
# 12 ILE HG12 126 LEU QD1 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1986,1987,1988,
&end
#
# 12 ILE HG13 53 VAL HB 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 161, 837, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 12 ILE HG13 53 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 843, 844, 845,
&end
#
# 12 ILE HG13 62 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 965, 969,
&end
#
# 12 ILE HG13 120 SER HB2 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 161,1895, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 12 ILE HG13 120 SER HB3 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 161,1896, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 12 ILE HG13 120 SER QB 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1895,1896,
&end
#
# 12 ILE HG13 124 GLN QB 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1949,1950,
&end
#
# 12 ILE HG13 126 LEU QD1 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1986,1987,1988,
&end
#
# 12 ILE HG13 126 LEU QD2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1990,1991,1992,
&end
#
# 12 ILE HG13 134 LEU QD2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=2110,2111,2112,
&end
#
# 12 ILE QD1 13 MET HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 163, 164, 165,
&end
#
# 12 ILE QD1 52 LEU HA 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 163, 164, 165,
&end
#
# 12 ILE QD1 53 VAL HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 163, 164, 165,
&end
#
# 12 ILE QD1 53 VAL HB 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 163, 164, 165,
&end
#
# 12 ILE QD1 53 VAL QG1 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= 163, 164, 165,
igr2= 839, 840, 841,
&end
#
# 12 ILE QD1 53 VAL QG2 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 163, 164, 165,
igr2= 843, 844, 845,
&end
#
# 12 ILE QD1 55 SER HB2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 163, 164, 165,
&end
#
# 12 ILE QD1 62 PHE HZ 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 163, 164, 165,
&end
#
# 12 ILE QD1 62 PHE QD 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 163, 164, 165,
igr2= 963, 971,
&end
#
# 12 ILE QD1 62 PHE QE 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= 163, 164, 165,
igr2= 965, 969,
&end
#
# 12 ILE QD1 120 SER HB2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 163, 164, 165,
&end
#
# 12 ILE QD1 120 SER HB3 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 163, 164, 165,
&end
#
# 12 ILE QD1 120 SER QB 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= 163, 164, 165,
igr2=1895,1896,
&end
#
# 12 ILE QD1 124 GLN QB 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 163, 164, 165,
igr2=1949,1950,
&end
#
# 12 ILE QD1 126 LEU QD2 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 163, 164, 165,
igr2=1990,1991,1992,
&end
#
# 12 ILE QD1 134 LEU QD2 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 163, 164, 165,
igr2=2110,2111,2112,
&end
#
# 12 ILE QG2 12 ILE HG12 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 160, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 12 ILE HG13 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 161, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 12 ILE QD1 1.80 2.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 156, 157, 158,
igr2= 163, 164, 165,
&end
#
# 12 ILE QG2 13 MET HN 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 169, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 13 MET HA 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 14 LYS HN 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 14 LYS HA 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 14 LYS HD2 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 14 LYS HD3 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 14 LYS HE2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 14 LYS HE3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 200, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 14 LYS QG 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 156, 157, 158,
igr2= 193, 194,
&end
#
# 12 ILE QG2 53 VAL HB 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 54 PHE HA 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 55 SER HN 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 55 SER HB2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 55 SER HB3 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 62 PHE HZ 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 62 PHE QD 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 156, 157, 158,
igr2= 963, 971,
&end
#
# 12 ILE QG2 62 PHE QE 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 156, 157, 158,
igr2= 965, 969,
&end
#
# 12 ILE QG2 120 SER HB2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 120 SER HB3 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1896, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 120 SER QB 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 156, 157, 158,
igr2=1895,1896,
&end
#
# 12 ILE QG2 121 ARG HA 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1904, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 122 ASP HA 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1928, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 123 GLY HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 124 GLN HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 156, 157, 158,
&end
#
# 12 ILE QG2 124 GLN QB 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 156, 157, 158,
igr2=1949,1950,
&end
#
# 13 MET HN 13 MET HB3 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 169, 174, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 13 MET HN 13 MET QE 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 180, 181, 182,
&end
#
# 13 MET HN 13 MET QG 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 176, 177,
&end
#
# 13 MET HN 54 PHE HA 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 169, 851, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 13 MET HA 13 MET QE 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 180, 181, 182,
&end
#
# 13 MET HA 14 LYS HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 171, 186, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 13 MET HA 122 ASP HA 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 171,1928, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 13 MET HA 123 GLY HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 171,1938, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 13 MET HB2 13 MET QE 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 180, 181, 182,
&end
#
# 13 MET HB2 54 PHE HA 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 173, 851, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 13 MET HB3 13 MET QE 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 180, 181, 182,
&end
#
# 13 MET HB3 14 LYS HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 174, 186, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 13 MET HB3 14 LYS HA 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 174, 188, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 13 MET HB3 30 TRP HE1 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 174, 457, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 13 MET HB3 30 TRP HZ2 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 174, 460, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 13 MET HB3 54 PHE HA 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 174, 851, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 13 MET QE 14 LYS HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 180, 181, 182,
&end
#
# 13 MET QE 30 TRP HD1 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 180, 181, 182,
&end
#
# 13 MET QE 30 TRP HE1 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 180, 181, 182,
&end
#
# 13 MET QE 30 TRP HZ2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 180, 181, 182,
&end
#
# 13 MET QE 32 THR HB 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 180, 181, 182,
&end
#
# 13 MET QE 32 THR HG1 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 180, 181, 182,
&end
#
# 13 MET QE 32 THR QG2 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= 180, 181, 182,
igr2= 488, 489, 490,
&end
#
# 13 MET QE 33 THR HN 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 180, 181, 182,
&end
#
# 13 MET QE 33 THR QG2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 180, 181, 182,
igr2= 502, 503, 504,
&end
#
# 13 MET QE 36 ASN HN 1.80 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 180, 181, 182,
&end
#
# 13 MET QE 36 ASN HB2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 180, 181, 182,
&end
#
# 13 MET QE 36 ASN HB3 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 180, 181, 182,
&end
#
# 13 MET QE 36 ASN HD21 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 180, 181, 182,
&end
#
# 13 MET QE 36 ASN HD22 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 180, 181, 182,
&end
#
# 13 MET QE 37 GLU HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 180, 181, 182,
&end
#
# 13 MET QE 39 LYS QE 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 180, 181, 182,
igr2= 601, 602,
&end
#
# 13 MET QE 40 LEU HG 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 180, 181, 182,
&end
#
# 13 MET QE 40 LEU QD1 1.80 2.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 180, 181, 182,
igr2= 619, 620, 621,
&end
#
# 13 MET QE 40 LEU QD2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 180, 181, 182,
igr2= 623, 624, 625,
&end
#
# 13 MET QE 52 LEU HB3 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 180, 181, 182,
&end
#
# 13 MET QE 52 LEU QD2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 180, 181, 182,
igr2= 827, 828, 829,
&end
#
# 13 MET QE 122 ASP HA 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1928, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 180, 181, 182,
&end
#
# 13 MET QE 122 ASP QB 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 180, 181, 182,
igr2=1930,1931,
&end
#
# 13 MET QE 123 GLY HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 180, 181, 182,
&end
#
# 13 MET QE 123 GLY HA3 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1941, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1= 180, 181, 182,
&end
#
# 13 MET QE 123 GLY HA3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1941, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 180, 181, 182,
&end
#
# 13 MET QE 124 GLN HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1945, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 180, 181, 182,
&end
#
# 13 MET QG 13 MET QE 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 176, 177,
igr2= 180, 181, 182,
&end
#
# 13 MET QG 40 LEU QD1 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= 176, 177,
igr2= 619, 620, 621,
&end
#
# 13 MET QG 40 LEU QD2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 176, 177,
igr2= 623, 624, 625,
&end
#
# 13 MET QG 52 LEU HB2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 176, 177,
&end
#
# 13 MET QG 52 LEU HB3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 176, 177,
&end
#
# 13 MET QG 52 LEU QD1 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= 176, 177,
igr2= 823, 824, 825,
&end
#
# 13 MET QG 52 LEU QD2 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= 176, 177,
igr2= 827, 828, 829,
&end
#
# 13 MET QG 54 PHE QD 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 176, 177,
igr2= 857, 865,
&end
#
# 13 MET QG 54 PHE QE 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 176, 177,
igr2= 859, 863,
&end
#
# 14 LYS HN 14 LYS HD3 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 186, 197, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 14 LYS HN 14 LYS HG2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 186, 193, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 14 LYS HN 14 LYS HG3 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 186, 194, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 14 LYS HN 14 LYS QB 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 190, 191,
&end
#
# 14 LYS HN 14 LYS QG 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 193, 194,
&end
#
# 14 LYS HN 15 SER HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 186, 208, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 14 LYS HN 122 ASP HA 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 186,1928, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 14 LYS HN 123 GLY HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 186,1938, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 14 LYS HA 14 LYS HD3 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 188, 197, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 14 LYS HA 14 LYS HE2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 188, 199, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 14 LYS HA 14 LYS HE3 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 188, 200, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 14 LYS HA 15 SER HN 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 188, 208, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 14 LYS HA 54 PHE HA 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 188, 851, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 14 LYS HA 55 SER HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 188, 869, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 14 LYS HB2 14 LYS HE3 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 190, 200, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 14 LYS HB2 15 SER HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 190, 208, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 14 LYS HB2 122 ASP HB2 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 190,1930, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 14 LYS HB2 122 ASP HB3 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 190,1931, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 14 LYS HB3 14 LYS HE3 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 191, 200, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 14 LYS HB3 15 SER HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 191, 208, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 14 LYS HB3 122 ASP HB2 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 191,1930, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 14 LYS HB3 122 ASP HB3 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 191,1931, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 14 LYS HD2 121 ARG HA 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 196,1904, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 14 LYS HD2 122 ASP HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 196,1928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 LYS HD3 15 SER HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 197, 208, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 14 LYS HD3 55 SER HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 197, 869, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 14 LYS HD3 55 SER HB2 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 197, 873, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 14 LYS HD3 55 SER HB3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 197, 874, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 14 LYS HD3 122 ASP HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 197,1928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 LYS HE2 55 SER HB2 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 199, 873, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 14 LYS HE2 55 SER HB3 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 199, 874, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 14 LYS HE2 122 ASP HA 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= 199,1928, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 14 LYS HE3 55 SER HB2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 200, 873, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 14 LYS HE3 55 SER HB3 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 200, 874, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 14 LYS HE3 120 SER HB2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 200,1895, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 14 LYS HE3 120 SER HB3 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 200,1896, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 14 LYS HE3 120 SER QB 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1895,1896,
&end
#
# 14 LYS HE3 121 ARG HA 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 200,1904, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 14 LYS HE3 122 ASP HA 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 200,1928, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 14 LYS HG2 122 ASP HA 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 193,1928, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 14 LYS HG2 122 ASP HB2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 193,1930, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 14 LYS HG2 122 ASP HB3 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 193,1931, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 14 LYS HG3 122 ASP HA 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 194,1928, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 14 LYS HG3 122 ASP HB2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 194,1930, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 14 LYS HG3 122 ASP HB3 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 194,1931, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 14 LYS QB 122 ASP HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 190, 191,
&end
#
# 14 LYS QB 122 ASP HA 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1928, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 190, 191,
&end
#
# 14 LYS QB 122 ASP QB 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 190, 191,
igr2=1930,1931,
&end
#
# 14 LYS QG 14 LYS HE2 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 193, 194,
&end
#
# 14 LYS QG 121 ARG HA 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1904, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 193, 194,
&end
#
# 14 LYS QG 122 ASP HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 193, 194,
&end
#
# 14 LYS QG 122 ASP HA 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1928, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 193, 194,
&end
#
# 14 LYS QG 122 ASP QB 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 193, 194,
igr2=1930,1931,
&end
#
# 15 SER HN 15 SER HB2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 208, 212, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 15 SER HN 15 SER HB3 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 208, 213, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 15 SER HN 56 VAL HA 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 208, 882, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 15 SER HN 56 VAL QG1 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 886, 887, 888,
&end
#
# 15 SER HA 30 TRP HH2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 210, 462, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 15 SER HA 30 TRP HZ2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 210, 460, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 15 SER HA 56 VAL QG2 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 890, 891, 892,
&end
#
# 15 SER HB2 16 SER HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 212, 219, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 15 SER HB2 21 LEU QD1 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 310, 311, 312,
&end
#
# 15 SER HB2 30 TRP HH2 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 212, 462, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 15 SER HB2 56 VAL HA 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 212, 882, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 15 SER HB2 56 VAL QG2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 890, 891, 892,
&end
#
# 15 SER HB3 16 SER HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 213, 219, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 15 SER HB3 21 LEU QD1 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 310, 311, 312,
&end
#
# 15 SER HB3 30 TRP HH2 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 213, 462, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 15 SER HB3 56 VAL HA 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 213, 882, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 15 SER HB3 56 VAL QG2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 890, 891, 892,
&end
#
# 15 SER QB 16 SER HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 212, 213,
&end
#
# 15 SER QB 17 ASN HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 230, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 212, 213,
&end
#
# 15 SER QB 21 LEU QD1 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= 212, 213,
igr2= 310, 311, 312,
&end
#
# 15 SER QB 21 LEU QD2 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 212, 213,
igr2= 314, 315, 316,
&end
#
# 15 SER QB 30 TRP HH2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 212, 213,
&end
#
# 15 SER QB 30 TRP HZ2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 212, 213,
&end
#
# 15 SER QB 56 VAL QG1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 212, 213,
igr2= 886, 887, 888,
&end
#
# 15 SER QB 56 VAL QG2 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 212, 213,
igr2= 890, 891, 892,
&end
#
# 16 SER HN 56 VAL QG1 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 886, 887, 888,
&end
#
# 16 SER HA 16 SER QB 1.80 2.83
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 223, 224,
&end
#
# 16 SER HA 57 GLN HG2 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 221, 903, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 16 SER HA 57 GLN HG3 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 221, 904, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 16 SER HA 57 GLN QB 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 900, 901,
&end
#
# 16 SER HA 57 GLN QG 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 903, 904,
&end
#
# 16 SER QB 17 ASN HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 230, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 223, 224,
&end
#
# 16 SER QB 20 ASN HB2 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 223, 224,
&end
#
# 16 SER QB 20 ASN QD2 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 223, 224,
igr2= 296, 297,
&end
#
# 16 SER QB 57 GLN QB 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 223, 224,
igr2= 900, 901,
&end
#
# 17 ASN HN 56 VAL QG1 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 886, 887, 888,
&end
#
# 17 ASN QB 17 ASN QD2 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 234, 235,
igr2= 239, 240,
&end
#
# 17 ASN QB 56 VAL QG1 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 234, 235,
igr2= 886, 887, 888,
&end
#
# 18 LEU HN 18 LEU HG 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 244, 251, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 18 LEU HN 18 LEU QD2 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 257, 258, 259,
&end
#
# 18 LEU HN 56 VAL QG1 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 886, 887, 888,
&end
#
# 18 LEU HA 18 LEU HG 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 246, 251, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 18 LEU HA 18 LEU QD1 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 253, 254, 255,
&end
#
# 18 LEU HA 18 LEU QD2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 257, 258, 259,
&end
#
# 18 LEU HA 21 LEU HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 246, 301, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 18 LEU HA 21 LEU HB2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 246, 305, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 18 LEU HA 21 LEU HB3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 246, 306, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 18 LEU HA 21 LEU QD2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 314, 315, 316,
&end
#
# 18 LEU HA 56 VAL QG1 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 886, 887, 888,
&end
#
# 18 LEU HA 56 VAL QG2 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 890, 891, 892,
&end
#
# 18 LEU HB2 18 LEU QD2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 257, 258, 259,
&end
#
# 18 LEU HB2 19 ARG HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 248, 263, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 18 LEU HB2 56 VAL QG2 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 890, 891, 892,
&end
#
# 18 LEU HB2 63 GLN QG 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 982, 983,
&end
#
# 18 LEU HB3 18 LEU QD2 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 257, 258, 259,
&end
#
# 18 LEU HB3 19 ARG HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 249, 263, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 18 LEU HB3 56 VAL QG1 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 886, 887, 888,
&end
#
# 18 LEU HG 19 ARG HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 251, 263, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 18 LEU HG 19 ARG HA 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 251, 265, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 18 LEU HG 22 GLU HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 251, 320, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 18 LEU HG 22 GLU HG2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 251, 327, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 18 LEU HG 22 GLU HG3 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 251, 328, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 18 LEU HG 22 GLU QG 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 327, 328,
&end
#
# 18 LEU QD1 21 LEU HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 253, 254, 255,
&end
#
# 18 LEU QD1 21 LEU HB2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 253, 254, 255,
&end
#
# 18 LEU QD1 21 LEU HB3 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 253, 254, 255,
&end
#
# 18 LEU QD1 22 GLU HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 253, 254, 255,
&end
#
# 18 LEU QD1 22 GLU HA 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 253, 254, 255,
&end
#
# 18 LEU QD1 22 GLU QG 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= 253, 254, 255,
igr2= 327, 328,
&end
#
# 18 LEU QD1 63 GLN HB2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 253, 254, 255,
&end
#
# 18 LEU QD1 63 GLN HB3 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 253, 254, 255,
&end
#
# 18 LEU QD1 63 GLN QE2 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 253, 254, 255,
igr2= 987, 988,
&end
#
# 18 LEU QD1 63 GLN QG 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= 253, 254, 255,
igr2= 982, 983,
&end
#
# 18 LEU QD2 19 ARG HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 257, 258, 259,
&end
#
# 18 LEU QD2 22 GLU QG 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 257, 258, 259,
igr2= 327, 328,
&end
#
# 18 LEU QD2 63 GLN QE2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 257, 258, 259,
igr2= 987, 988,
&end
#
# 18 LEU QD2 63 GLN QG 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 257, 258, 259,
igr2= 982, 983,
&end
#
# 19 ARG HN 19 ARG HB2 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 263, 267, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 19 ARG HN 19 ARG HB3 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 263, 268, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 19 ARG HN 19 ARG HD2 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat= 263, 273, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 19 ARG HN 19 ARG HD3 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 263, 274, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 19 ARG HN 19 ARG HG2 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 263, 270, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 19 ARG HN 19 ARG HG3 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= 263, 271, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 19 ARG HN 20 ASN HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 263, 287, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 19 ARG HN 21 LEU HN 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= 263, 301, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 19 ARG HA 19 ARG HD2 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 265, 273, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 19 ARG HA 19 ARG HD3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 265, 274, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 19 ARG HA 19 ARG HG3 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 265, 271, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 19 ARG HA 22 GLU HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 265, 320, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 19 ARG HA 22 GLU HB2 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 265, 324, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 19 ARG HA 22 GLU HB3 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 265, 325, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 19 ARG HA 22 GLU HG2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 265, 327, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 19 ARG HA 22 GLU HG3 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 265, 328, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 19 ARG HA 22 GLU QG 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 327, 328,
&end
#
# 19 ARG HA 23 ILE QD1 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 348, 349, 350,
&end
#
# 19 ARG HB2 20 ASN HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 267, 287, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 19 ARG HB3 20 ASN HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 268, 287, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 19 ARG HD2 22 GLU HB2 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 273, 324, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 19 ARG HD2 22 GLU HB3 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 273, 325, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 19 ARG HD2 22 GLU QG 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 327, 328,
&end
#
# 19 ARG HD2 23 ILE QD1 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 348, 349, 350,
&end
#
# 19 ARG HD3 22 GLU HB2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 274, 324, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 19 ARG HD3 22 GLU HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 ARG HD3 22 GLU QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 327, 328,
&end
#
# 19 ARG HD3 23 ILE QD1 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 348, 349, 350,
&end
#
# 19 ARG HG3 20 ASN HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 271, 287, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 19 ARG HG3 23 ILE HG12 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 271, 345, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 ARG HG3 23 ILE QD1 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 348, 349, 350,
&end
#
# 19 ARG QB 19 ARG HD2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 267, 268,
&end
#
# 19 ARG QB 19 ARG HD3 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 267, 268,
&end
#
# 19 ARG QB 22 GLU HB2 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 267, 268,
&end
#
# 19 ARG QB 23 ILE QD1 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 267, 268,
igr2= 348, 349, 350,
&end
#
# 20 ASN HN 20 ASN HB2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 287, 291, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 20 ASN HN 20 ASN HB3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 287, 292, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 20 ASN HN 21 LEU HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 287, 301, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 20 ASN HA 23 ILE HB 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 289, 339, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 20 ASN HA 23 ILE QD1 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 348, 349, 350,
&end
#
# 20 ASN HB2 21 LEU HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 291, 301, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 20 ASN HB2 21 LEU QD1 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 310, 311, 312,
&end
#
# 20 ASN HB2 30 TRP HH2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 291, 462, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 20 ASN HB2 30 TRP HZ3 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 291, 464, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 20 ASN HB2 56 VAL QG2 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 890, 891, 892,
&end
#
# 20 ASN HB3 21 LEU HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 292, 301, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 20 ASN HB3 30 TRP HH2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 292, 462, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ASN HB3 30 TRP HZ3 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 292, 464, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 20 ASN HB3 80 TRP HE3 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 292,1254, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 20 ASN HB3 80 TRP HZ3 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 292,1252, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 21 LEU HN 21 LEU HB2 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 301, 305, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 21 LEU HN 21 LEU HB3 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 301, 306, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 21 LEU HN 21 LEU HG 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 301, 308, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 21 LEU HN 21 LEU QD1 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 310, 311, 312,
&end
#
# 21 LEU HN 21 LEU QD2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 314, 315, 316,
&end
#
# 21 LEU HN 22 GLU HN 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 301, 320, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 21 LEU HN 22 GLU HB2 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 301, 324, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 21 LEU HN 23 ILE HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 301, 335, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 21 LEU HN 23 ILE QD1 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 348, 349, 350,
&end
#
# 21 LEU HN 56 VAL QG2 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 890, 891, 892,
&end
#
# 21 LEU HA 21 LEU HG 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 303, 308, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 21 LEU HA 21 LEU QD1 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 310, 311, 312,
&end
#
# 21 LEU HA 21 LEU QD2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 314, 315, 316,
&end
#
# 21 LEU HA 24 SER HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 303, 354, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 21 LEU HA 24 SER HB2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 303, 358, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 21 LEU HA 24 SER HB3 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 303, 359, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 21 LEU HA 24 SER HG 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 303, 361, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 21 LEU HA 30 TRP HE3 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 303, 466, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 21 LEU HA 30 TRP HZ3 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 303, 464, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 21 LEU HA 93 TRP HZ2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 303,1429, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 21 LEU HB2 21 LEU QD1 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= 310, 311, 312,
&end
#
# 21 LEU HB2 21 LEU QD2 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 314, 315, 316,
&end
#
# 21 LEU HB2 22 GLU HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 305, 320, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 21 LEU HB2 56 VAL QG2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 890, 891, 892,
&end
#
# 21 LEU HB3 21 LEU QD1 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 310, 311, 312,
&end
#
# 21 LEU HB3 21 LEU QD2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 314, 315, 316,
&end
#
# 21 LEU HB3 22 GLU HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 306, 320, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 21 LEU HB3 22 GLU QG 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 327, 328,
&end
#
# 21 LEU HG 22 GLU HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 308, 320, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 21 LEU HG 24 SER HB3 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 308, 359, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 21 LEU HG 63 GLN QG 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 982, 983,
&end
#
# 21 LEU QD1 24 SER HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 24 SER HB2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 24 SER HB3 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 24 SER HG 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 25 GLN HE21 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 25 GLN HE22 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 25 GLN HG3 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 30 TRP HE3 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 30 TRP HH2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 30 TRP HZ2 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 460, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 30 TRP HZ3 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 54 PHE HN 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 54 PHE HA 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 54 PHE HB2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 54 PHE HB3 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 54 PHE QD 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= 310, 311, 312,
igr2= 857, 865,
&end
#
# 21 LEU QD1 54 PHE QE 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 310, 311, 312,
igr2= 859, 863,
&end
#
# 21 LEU QD1 55 SER HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 56 VAL HA 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 56 VAL QG2 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 310, 311, 312,
igr2= 890, 891, 892,
&end
#
# 21 LEU QD1 63 GLN HB2 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 63 GLN HB3 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 63 GLN QB 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 310, 311, 312,
igr2= 979, 980,
&end
#
# 21 LEU QD1 63 GLN QG 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 310, 311, 312,
igr2= 982, 983,
&end
#
# 21 LEU QD1 93 TRP HH2 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD1 93 TRP HZ2 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 310, 311, 312,
&end
#
# 21 LEU QD2 22 GLU HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 314, 315, 316,
&end
#
# 21 LEU QD2 22 GLU HA 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 322, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 314, 315, 316,
&end
#
# 21 LEU QD2 25 GLN HE21 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 314, 315, 316,
&end
#
# 21 LEU QD2 25 GLN HE22 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 314, 315, 316,
&end
#
# 21 LEU QD2 25 GLN QE2 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= 314, 315, 316,
igr2= 377, 378,
&end
#
# 21 LEU QD2 54 PHE HA 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 314, 315, 316,
&end
#
# 21 LEU QD2 54 PHE HB2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 314, 315, 316,
&end
#
# 21 LEU QD2 54 PHE HB3 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 314, 315, 316,
&end
#
# 21 LEU QD2 54 PHE QB 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= 314, 315, 316,
igr2= 853, 854,
&end
#
# 21 LEU QD2 54 PHE QD 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 314, 315, 316,
igr2= 857, 865,
&end
#
# 21 LEU QD2 55 SER HN 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 314, 315, 316,
&end
#
# 21 LEU QD2 63 GLN HA 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 314, 315, 316,
&end
#
# 21 LEU QD2 63 GLN HB2 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 314, 315, 316,
&end
#
# 21 LEU QD2 63 GLN HB3 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 314, 315, 316,
&end
#
# 21 LEU QD2 63 GLN QE2 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= 314, 315, 316,
igr2= 987, 988,
&end
#
# 21 LEU QD2 93 TRP HH2 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 314, 315, 316,
&end
#
# 21 LEU QD2 93 TRP HZ2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 314, 315, 316,
&end
#
# 22 GLU HN 22 GLU HB2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 320, 324, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 22 GLU HN 22 GLU HB3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 320, 325, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 22 GLU HN 22 GLU HG2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 320, 327, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 22 GLU HN 22 GLU HG3 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 320, 328, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 22 GLU HN 22 GLU QG 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 327, 328,
&end
#
# 22 GLU HN 23 ILE HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 320, 335, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 22 GLU HN 23 ILE HB 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 320, 339, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 22 GLU HN 23 ILE QD1 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 348, 349, 350,
&end
#
# 22 GLU HN 24 SER HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 320, 354, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 22 GLU HA 22 GLU HG2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 322, 327, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 22 GLU HA 22 GLU HG3 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 322, 328, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 22 GLU HA 22 GLU QG 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 327, 328,
&end
#
# 22 GLU HA 24 SER HN 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat= 322, 354, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 22 GLU HA 25 GLN HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 322, 365, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 22 GLU HA 25 GLN HB2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 322, 369, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 22 GLU HA 25 GLN HB3 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 322, 370, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 22 GLU HA 25 GLN HG3 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 322, 373, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 22 GLU HA 26 GLN HG2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 322, 389, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 22 GLU HB2 23 ILE HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 324, 335, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 22 GLU HB3 23 ILE HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 325, 335, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 23 ILE HN 23 ILE HB 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 335, 339, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 23 ILE HN 23 ILE HG12 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 335, 345, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 23 ILE HN 23 ILE HG13 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 335, 346, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 23 ILE HN 23 ILE QD1 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 348, 349, 350,
&end
#
# 23 ILE HN 23 ILE QG2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 341, 342, 343,
&end
#
# 23 ILE HN 24 SER HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 335, 354, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 23 ILE HA 23 ILE HG12 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 337, 345, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 23 ILE HA 23 ILE HG13 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 337, 346, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 23 ILE HA 23 ILE QD1 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 348, 349, 350,
&end
#
# 23 ILE HA 23 ILE QG2 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 341, 342, 343,
&end
#
# 23 ILE HA 25 GLN HN 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 337, 365, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 23 ILE HA 26 GLN HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 337, 382, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 23 ILE HA 26 GLN HB2 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 337, 386, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 23 ILE HA 26 GLN HB3 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 337, 387, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 23 ILE HA 26 GLN HG2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 337, 389, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 23 ILE HA 26 GLN HG3 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 337, 390, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 23 ILE HA 27 LYS HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 337, 399, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 23 ILE HA 27 LYS HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 337, 410, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ILE HA 27 LYS HG3 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 337, 407, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 23 ILE HA 27 LYS QE 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 412, 413,
&end
#
# 23 ILE HB 23 ILE QD1 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 348, 349, 350,
&end
#
# 23 ILE HB 24 SER HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 339, 354, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 23 ILE HB 80 TRP HE3 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 339,1254, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 23 ILE HB 80 TRP HZ3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 339,1252, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 23 ILE HG12 27 LYS HG3 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= 345, 407, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 23 ILE HG12 27 LYS QE 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 412, 413,
&end
#
# 23 ILE QD1 27 LYS QE 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 348, 349, 350,
igr2= 412, 413,
&end
#
# 23 ILE QD1 79 ASP QB 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 348, 349, 350,
igr2=1227,1228,
&end
#
# 23 ILE QD1 80 TRP HE3 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 348, 349, 350,
&end
#
# 23 ILE QD1 80 TRP HZ3 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 348, 349, 350,
&end
#
# 23 ILE QG2 23 ILE HG12 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 341, 342, 343,
&end
#
# 23 ILE QG2 23 ILE HG13 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 346, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 341, 342, 343,
&end
#
# 23 ILE QG2 23 ILE QD1 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 341, 342, 343,
igr2= 348, 349, 350,
&end
#
# 23 ILE QG2 24 SER HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 341, 342, 343,
&end
#
# 23 ILE QG2 24 SER HB2 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 341, 342, 343,
&end
#
# 23 ILE QG2 26 GLN HB2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 341, 342, 343,
&end
#
# 23 ILE QG2 27 LYS HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 341, 342, 343,
&end
#
# 23 ILE QG2 27 LYS HA 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 341, 342, 343,
&end
#
# 23 ILE QG2 27 LYS HB2 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 341, 342, 343,
&end
#
# 23 ILE QG2 27 LYS HB3 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 341, 342, 343,
&end
#
# 23 ILE QG2 27 LYS HG2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 341, 342, 343,
&end
#
# 23 ILE QG2 27 LYS HG3 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 341, 342, 343,
&end
#
# 23 ILE QG2 27 LYS QB 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 341, 342, 343,
igr2= 403, 404,
&end
#
# 23 ILE QG2 27 LYS QE 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= 341, 342, 343,
igr2= 412, 413,
&end
#
# 23 ILE QG2 30 TRP HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 341, 342, 343,
&end
#
# 23 ILE QG2 79 ASP HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 341, 342, 343,
&end
#
# 23 ILE QG2 79 ASP HB2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 341, 342, 343,
&end
#
# 23 ILE QG2 79 ASP HB3 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 341, 342, 343,
&end
#
# 23 ILE QG2 79 ASP QB 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= 341, 342, 343,
igr2=1227,1228,
&end
#
# 23 ILE QG2 80 TRP HE3 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 341, 342, 343,
&end
#
# 23 ILE QG2 80 TRP HH2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 341, 342, 343,
&end
#
# 23 ILE QG2 80 TRP HZ3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 341, 342, 343,
&end
#
# 24 SER HN 24 SER HB2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 354, 358, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 24 SER HN 24 SER HB3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 354, 359, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 24 SER HN 26 GLN HN 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat= 354, 382, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 24 SER HN 30 TRP HE3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 354, 466, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 SER HB2 30 TRP HE3 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 358, 466, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 24 SER HB2 30 TRP HZ3 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 358, 464, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 24 SER HB2 80 TRP HZ3 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 358,1252, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 24 SER HB2 93 TRP HZ2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 358,1429, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 24 SER HB3 25 GLN HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 359, 365, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 24 SER HB3 30 TRP HE3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 359, 466, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 24 SER HB3 30 TRP HZ3 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 359, 464, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 24 SER HB3 91 VAL QG2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1395,1396,1397,
&end
#
# 24 SER HB3 93 TRP HZ2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 359,1429, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 24 SER HG 30 TRP HB2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 361, 451, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 24 SER HG 30 TRP HB3 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 361, 452, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 24 SER HG 30 TRP HE3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 361, 466, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 24 SER HG 30 TRP QB 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 451, 452,
&end
#
# 24 SER HG 91 VAL QG1 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1391,1392,1393,
&end
#
# 24 SER HG 91 VAL QG2 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1395,1396,1397,
&end
#
# 24 SER HG 93 TRP HE1 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 361,1426, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 24 SER HG 93 TRP HZ2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 361,1429, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 25 GLN HN 25 GLN HB2 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 365, 369, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 25 GLN HN 25 GLN HB3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 365, 370, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 25 GLN HN 25 GLN HG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 365, 372, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 25 GLN HN 25 GLN HG3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 365, 373, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 25 GLN HN 26 GLN HN 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 365, 382, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 25 GLN HN 27 LYS HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 365, 399, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 25 GLN HA 25 GLN HG2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 367, 372, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 25 GLN HA 25 GLN HG3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 367, 373, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 25 GLN HA 28 GLY HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 367, 421, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 25 GLN HA 93 TRP HD1 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 367,1424, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 25 GLN HA 93 TRP HE1 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 367,1426, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 25 GLN HA 96 LYS QE 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1496,1497,
&end
#
# 25 GLN HB2 26 GLN HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 369, 382, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 25 GLN HB2 96 LYS QE 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1496,1497,
&end
#
# 25 GLN HB3 26 GLN HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 370, 382, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 25 GLN HB3 96 LYS QE 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1496,1497,
&end
#
# 25 GLN HG2 96 LYS QD 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1493,1494,
&end
#
# 25 GLN HG2 96 LYS QE 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1496,1497,
&end
#
# 25 GLN HG3 26 GLN HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 373, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 GLN HN 26 GLN HB2 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 382, 386, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 26 GLN HN 26 GLN HB3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 382, 387, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 26 GLN HN 26 GLN HG2 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 382, 389, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 26 GLN HN 26 GLN HG3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 382, 390, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 26 GLN HN 27 LYS HN 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 382, 399, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 26 GLN HN 28 GLY HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 382, 421, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 26 GLN HA 26 GLN HG2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 384, 389, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 26 GLN HA 26 GLN HG3 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 384, 390, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 26 GLN HA 27 LYS HA 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 384, 401, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 26 GLN HB2 26 GLN HG3 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat= 386, 390, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 26 GLN HB2 27 LYS HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 386, 399, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 26 GLN HB2 27 LYS HA 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 386, 401, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 26 GLN HB2 27 LYS HG2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 386, 406, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 26 GLN HB2 27 LYS HG3 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 386, 407, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 26 GLN HB3 27 LYS HN 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 387, 399, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 26 GLN HB3 27 LYS HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 387, 401, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 26 GLN HB3 27 LYS HD3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 387, 410, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 26 GLN HB3 27 LYS HG2 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 387, 406, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 26 GLN HB3 27 LYS QE 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 412, 413,
&end
#
# 26 GLN HG2 26 GLN QE2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 394, 395,
&end
#
# 26 GLN HG2 27 LYS HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 389, 406, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 GLN HG3 27 LYS HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 390, 399, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 26 GLN HG3 27 LYS HG2 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= 390, 406, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 26 GLN HG3 27 LYS QE 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 412, 413,
&end
#
# 27 LYS HN 27 LYS HB2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 399, 403, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 27 LYS HN 27 LYS HB3 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 399, 404, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 27 LYS HN 27 LYS HD3 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 399, 410, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 27 LYS HN 27 LYS HG2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 399, 406, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 27 LYS HN 27 LYS HG3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 399, 407, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 27 LYS HN 27 LYS QE 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 412, 413,
&end
#
# 27 LYS HN 28 GLY HN 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 399, 421, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 27 LYS HN 29 ILE QD1 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2= 441, 442, 443,
&end
#
# 27 LYS HA 27 LYS HD2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 401, 409, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 27 LYS HA 27 LYS HD3 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 401, 410, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 27 LYS HA 27 LYS HG2 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 401, 406, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 27 LYS HA 27 LYS HG3 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 401, 407, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 27 LYS HA 27 LYS QE 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 412, 413,
&end
#
# 27 LYS HA 28 GLY HA3 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat= 401, 424, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 27 LYS HA 28 GLY HA3 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 401, 424, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 27 LYS HB2 27 LYS HD2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 403, 409, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 27 LYS HB2 27 LYS HD3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 403, 410, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 27 LYS HB2 27 LYS QE 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 412, 413,
&end
#
# 27 LYS HB2 29 ILE QG2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 434, 435, 436,
&end
#
# 27 LYS HB3 27 LYS HD2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 404, 409, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 27 LYS HB3 27 LYS HD3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 404, 410, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 27 LYS HB3 27 LYS QE 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 412, 413,
&end
#
# 27 LYS HB3 29 ILE QG2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 434, 435, 436,
&end
#
# 27 LYS HD3 27 LYS QE 1.80 2.72
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr2= 412, 413,
&end
#
# 27 LYS HG2 27 LYS QE 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 412, 413,
&end
#
# 27 LYS HG2 29 ILE QD1 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 441, 442, 443,
&end
#
# 27 LYS HG3 27 LYS QE 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 412, 413,
&end
#
# 27 LYS QB 27 LYS HD2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 403, 404,
&end
#
# 27 LYS QB 27 LYS HD3 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 403, 404,
&end
#
# 27 LYS QB 27 LYS QE 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 403, 404,
igr2= 412, 413,
&end
#
# 27 LYS QB 28 GLY HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 403, 404,
&end
#
# 27 LYS QB 29 ILE QD1 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= 403, 404,
igr2= 441, 442, 443,
&end
#
# 27 LYS QB 29 ILE QG1 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 403, 404,
igr2= 438, 439,
&end
#
# 28 GLY HN 29 ILE HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 421, 428, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 28 GLY HN 29 ILE QG2 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 434, 435, 436,
&end
#
# 28 GLY HN 91 VAL QG2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1395,1396,1397,
&end
#
# 28 GLY HN 93 TRP HD1 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat= 421,1424, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 28 GLY HA3 91 VAL QG2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1395,1396,1397,
&end
#
# 28 GLY HA3 93 TRP HD1 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 424,1424, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 28 GLY HA3 29 ILE QG2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 434, 435, 436,
&end
#
# 28 GLY HA3 91 VAL QG2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1395,1396,1397,
&end
#
# 28 GLY HA3 93 TRP HD1 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= 424,1424, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 29 ILE HN 29 ILE HB 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 428, 432, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 29 ILE HN 29 ILE QD1 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 441, 442, 443,
&end
#
# 29 ILE HN 29 ILE QG1 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 438, 439,
&end
#
# 29 ILE HN 30 TRP HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 428, 447, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 29 ILE HN 91 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1391,1392,1393,
&end
#
# 29 ILE HN 91 VAL QG2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1395,1396,1397,
&end
#
# 29 ILE HA 29 ILE QD1 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 441, 442, 443,
&end
#
# 29 ILE HA 29 ILE QG2 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 434, 435, 436,
&end
#
# 29 ILE HA 30 TRP HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 430, 447, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 29 ILE HA 88 VAL QG1 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1333,1334,1335,
&end
#
# 29 ILE HA 90 LYS HA 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 430,1365, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 29 ILE HA 90 LYS HG3 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 430,1371, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 29 ILE HA 91 VAL HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 430,1385, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 29 ILE HA 91 VAL QG1 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1391,1392,1393,
&end
#
# 29 ILE HA 91 VAL QG2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1395,1396,1397,
&end
#
# 29 ILE HB 29 ILE QD1 1.80 2.87
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 441, 442, 443,
&end
#
# 29 ILE HB 30 TRP HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 432, 447, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 29 ILE HB 77 SER HB2 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 432,1199, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 29 ILE HB 77 SER HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 432,1200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ILE HB 80 TRP HH2 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= 432,1250, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 29 ILE HB 80 TRP HZ2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 432,1248, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 29 ILE HB 88 VAL QG1 1.80 2.77
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2=1333,1334,1335,
&end
#
# 29 ILE HB 88 VAL QG2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1337,1338,1339,
&end
#
# 29 ILE HB 89 PHE HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 432,1343, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 ILE HB 90 LYS HA 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 432,1365, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 29 ILE HG12 80 TRP HZ2 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= 438,1248, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 29 ILE HG13 80 TRP HZ2 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= 439,1248, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 29 ILE QD1 30 TRP HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 441, 442, 443,
&end
#
# 29 ILE QD1 30 TRP HA 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 441, 442, 443,
&end
#
# 29 ILE QD1 31 SER QB 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 441, 442, 443,
igr2= 475, 476,
&end
#
# 29 ILE QD1 77 SER HB2 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 441, 442, 443,
&end
#
# 29 ILE QD1 77 SER HB3 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 441, 442, 443,
&end
#
# 29 ILE QD1 80 TRP HE1 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 441, 442, 443,
&end
#
# 29 ILE QD1 80 TRP HE3 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 441, 442, 443,
&end
#
# 29 ILE QD1 80 TRP HH2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 441, 442, 443,
&end
#
# 29 ILE QD1 80 TRP HZ2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 441, 442, 443,
&end
#
# 29 ILE QD1 80 TRP HZ3 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 441, 442, 443,
&end
#
# 29 ILE QD1 88 VAL QG2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 441, 442, 443,
igr2=1337,1338,1339,
&end
#
# 29 ILE QG1 80 TRP HH2 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 438, 439,
&end
#
# 29 ILE QG1 80 TRP HZ2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 438, 439,
&end
#
# 29 ILE QG2 29 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= 434, 435, 436,
igr2= 441, 442, 443,
&end
#
# 29 ILE QG2 29 ILE QG1 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 434, 435, 436,
igr2= 438, 439,
&end
#
# 29 ILE QG2 30 TRP HN 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 434, 435, 436,
&end
#
# 29 ILE QG2 89 PHE HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 434, 435, 436,
&end
#
# 29 ILE QG2 90 LYS HA 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 434, 435, 436,
&end
#
# 29 ILE QG2 90 LYS HG2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 434, 435, 436,
&end
#
# 29 ILE QG2 90 LYS HG3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 434, 435, 436,
&end
#
# 29 ILE QG2 90 LYS 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= 434, 435, 436,
igr2=1376,1377,
&end
#
# 29 ILE QG2 91 VAL HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 434, 435, 436,
&end
#
# 29 ILE QG2 91 VAL QG2 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= 434, 435, 436,
igr2=1395,1396,1397,
&end
#
# 30 TRP HN 30 TRP HB2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 447, 451, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 30 TRP HN 30 TRP HB3 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 447, 452, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 30 TRP HN 30 TRP QB 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 451, 452,
&end
#
# 30 TRP HN 88 VAL QG1 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1333,1334,1335,
&end
#
# 30 TRP HN 91 VAL QG1 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1391,1392,1393,
&end
#
# 30 TRP HN 91 VAL QG2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1395,1396,1397,
&end
#
# 30 TRP HA 30 TRP HD1 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 449, 455, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 30 TRP HA 30 TRP HE3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 449, 466, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 30 TRP HA 31 SER HA 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 449, 473, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 30 TRP HA 31 SER QB 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 475, 476,
&end
#
# 30 TRP HA 80 TRP HH2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 449,1250, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 30 TRP HA 80 TRP HZ2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 449,1248, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 30 TRP HA 80 TRP HZ3 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= 449,1252, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 30 TRP HA 88 VAL QG2 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1337,1338,1339,
&end
#
# 30 TRP HB2 54 PHE HZ 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 451, 861, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 30 TRP HB2 91 VAL QG1 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1391,1392,1393,
&end
#
# 30 TRP HB2 91 VAL QG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1395,1396,1397,
&end
#
# 30 TRP HB3 54 PHE HZ 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 452, 861, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 30 TRP HB3 91 VAL QG1 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1391,1392,1393,
&end
#
# 30 TRP HB3 91 VAL QG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1395,1396,1397,
&end
#
# 30 TRP HD1 32 THR HB 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 455, 486, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 30 TRP HD1 52 LEU QD1 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 823, 824, 825,
&end
#
# 30 TRP HD1 54 PHE HZ 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 455, 861, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 30 TRP HD1 54 PHE QE 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 859, 863,
&end
#
# 30 TRP HE3 80 TRP HH2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 466,1250, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 30 TRP HE3 80 TRP HZ2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 466,1248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 TRP HE3 91 VAL QG2 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1395,1396,1397,
&end
#
# 30 TRP HH2 56 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 890, 891, 892,
&end
#
# 30 TRP QB 30 TRP HD1 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 451, 452,
&end
#
# 30 TRP QB 54 PHE QE 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 451, 452,
igr2= 859, 863,
&end
#
# 30 TRP QB 91 VAL QG2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 451, 452,
igr2=1395,1396,1397,
&end
#
# 31 SER HA 32 THR HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 473, 482, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 31 SER HA 32 THR HB 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 473, 486, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 31 SER HA 32 THR QG2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 488, 489, 490,
&end
#
# 31 SER HA 88 VAL HN 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 473,1327, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 31 SER HA 88 VAL QG1 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1333,1334,1335,
&end
#
# 31 SER HA 89 PHE QD 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1351,1359,
&end
#
# 31 SER HA 89 PHE QE 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1353,1357,
&end
#
# 31 SER HB2 32 THR HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 475, 482, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 31 SER HB2 80 TRP HE1 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 475,1245, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 31 SER HB2 85 LEU HB3 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 475,1299, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 31 SER HB2 85 LEU QD1 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1303,1304,1305,
&end
#
# 31 SER HB2 85 LEU QD2 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1307,1308,1309,
&end
#
# 31 SER HB2 88 VAL QG2 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1337,1338,1339,
&end
#
# 31 SER HB3 32 THR HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 476, 482, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 31 SER HB3 80 TRP HE1 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 476,1245, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 31 SER HB3 85 LEU HB3 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 476,1299, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 31 SER HB3 85 LEU QD1 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1303,1304,1305,
&end
#
# 31 SER HB3 85 LEU QD2 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1307,1308,1309,
&end
#
# 31 SER HB3 88 VAL QG2 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1337,1338,1339,
&end
#
# 31 SER HG 88 VAL QG2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1337,1338,1339,
&end
#
# 31 SER QB 32 THR HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 475, 476,
&end
#
# 31 SER QB 80 TRP HD1 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 475, 476,
&end
#
# 31 SER QB 85 LEU HB2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 475, 476,
&end
#
# 31 SER QB 85 LEU HB3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 475, 476,
&end
#
# 31 SER QB 85 LEU QD1 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= 475, 476,
igr2=1303,1304,1305,
&end
#
# 31 SER QB 85 LEU QD2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 475, 476,
igr2=1307,1308,1309,
&end
#
# 31 SER QB 86 GLY HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 475, 476,
&end
#
# 31 SER QB 88 VAL QG1 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= 475, 476,
igr2=1333,1334,1335,
&end
#
# 31 SER QB 88 VAL QG2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 475, 476,
igr2=1337,1338,1339,
&end
#
# 32 THR HN 32 THR QG2 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 488, 489, 490,
&end
#
# 32 THR HN 33 THR HN 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= 482, 496, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 32 THR HN 89 PHE QE 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1353,1357,
&end
#
# 32 THR HA 32 THR HG1 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 484, 492, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 32 THR HA 32 THR QG2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 488, 489, 490,
&end
#
# 32 THR HB 33 THR HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 486, 496, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 32 THR HB 40 LEU QD1 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 619, 620, 621,
&end
#
# 32 THR HB 85 LEU QD2 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1307,1308,1309,
&end
#
# 32 THR HB 89 PHE QE 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1353,1357,
&end
#
# 32 THR HG1 33 THR HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 492, 496, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 32 THR HG1 33 THR QG2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 502, 503, 504,
&end
#
# 32 THR QG2 32 THR HG1 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 488, 489, 490,
&end
#
# 32 THR QG2 33 THR HN 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 488, 489, 490,
&end
#
# 32 THR QG2 33 THR HA 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 488, 489, 490,
&end
#
# 32 THR QG2 34 PRO QD 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 488, 489, 490,
igr2= 511, 512,
&end
#
# 32 THR QG2 36 ASN HN 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 488, 489, 490,
&end
#
# 32 THR QG2 36 ASN HB2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 488, 489, 490,
&end
#
# 32 THR QG2 36 ASN HB3 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 488, 489, 490,
&end
#
# 32 THR QG2 36 ASN HD22 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 488, 489, 490,
&end
#
# 32 THR QG2 37 GLU HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 488, 489, 490,
&end
#
# 32 THR QG2 37 GLU HA 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 488, 489, 490,
&end
#
# 32 THR QG2 37 GLU HB2 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 488, 489, 490,
&end
#
# 32 THR QG2 37 GLU QG 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= 488, 489, 490,
igr2= 556, 557,
&end
#
# 32 THR QG2 39 LYS 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= 488, 489, 490,
igr2= 598, 599,
&end
#
# 32 THR QG2 40 LEU QD1 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 488, 489, 490,
igr2= 619, 620, 621,
&end
#
# 32 THR QG2 40 LEU QD2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 488, 489, 490,
igr2= 623, 624, 625,
&end
#
# 32 THR QG2 89 PHE QD 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 488, 489, 490,
igr2=1351,1359,
&end
#
# 32 THR QG2 89 PHE QE 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 488, 489, 490,
igr2=1353,1357,
&end
#
# 33 THR HN 33 THR HB 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 496, 500, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 33 THR HN 33 THR QG2 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 502, 503, 504,
&end
#
# 33 THR HN 34 PRO QD 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 511, 512,
&end
#
# 33 THR HN 36 ASN HD21 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 496, 544, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 33 THR HN 85 LEU QD2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1307,1308,1309,
&end
#
# 33 THR HA 33 THR QG2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 502, 503, 504,
&end
#
# 33 THR HA 34 PRO HG2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 498, 514, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 33 THR HA 34 PRO HG3 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 498, 515, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 33 THR HA 34 PRO QD 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 511, 512,
&end
#
# 33 THR HA 34 PRO QG 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 514, 515,
&end
#
# 33 THR HA 85 LEU HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 498,1296, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 33 THR HA 85 LEU QD2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1307,1308,1309,
&end
#
# 33 THR HB 36 ASN HD21 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 500, 544, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 33 THR QG2 33 THR HG1 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 502, 503, 504,
&end
#
# 33 THR QG2 34 PRO QD 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 502, 503, 504,
igr2= 511, 512,
&end
#
# 33 THR QG2 34 PRO QG 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 502, 503, 504,
igr2= 514, 515,
&end
#
# 33 THR QG2 36 ASN HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 502, 503, 504,
&end
#
# 33 THR QG2 36 ASN HB2 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 502, 503, 504,
&end
#
# 33 THR QG2 36 ASN HB3 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 502, 503, 504,
&end
#
# 33 THR QG2 36 ASN HD21 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 502, 503, 504,
&end
#
# 33 THR QG2 36 ASN HD22 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 502, 503, 504,
&end
#
# 33 THR QG2 37 GLU QG 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 502, 503, 504,
igr2= 556, 557,
&end
#
# 33 THR QG2 123 GLY HA3 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1941, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 502, 503, 504,
&end
#
# 34 PRO HA 36 ASN HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 520, 535, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 34 PRO HA 37 GLU HB2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 520, 553, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 34 PRO HA 37 GLU HB3 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= 520, 554, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 34 PRO HA 37 GLU QG 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 556, 557,
&end
#
# 34 PRO QD 85 LEU HA 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 511, 512,
&end
#
# 34 PRO QD 85 LEU QD2 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= 511, 512,
igr2=1307,1308,1309,
&end
#
# 34 PRO QD 86 GLY HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 511, 512,
&end
#
# 34 PRO QD 86 GLY QA 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 511, 512,
igr2=1315,1316,
&end
#
# 34 PRO QG 86 GLY QA 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 514, 515,
igr2=1315,1316,
&end
#
# 35 SER HA 37 GLU HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 526, 549, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 35 SER HA 37 GLU HB2 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= 526, 553, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 35 SER HB2 36 ASN HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 528, 535, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 35 SER HB3 36 ASN HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 529, 535, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 36 ASN HN 36 ASN HB2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 535, 539, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 36 ASN HN 36 ASN HB3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 535, 540, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 36 ASN HN 37 GLU QG 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 556, 557,
&end
#
# 36 ASN HB2 40 LEU QD1 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 619, 620, 621,
&end
#
# 36 ASN HB2 40 LEU QD2 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 623, 624, 625,
&end
#
# 36 ASN HB3 39 LYS HB3 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= 540, 593, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 36 ASN HB3 39 LYS QE 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 601, 602,
&end
#
# 36 ASN HB3 40 LEU HG 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 540, 617, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 36 ASN HB3 40 LEU QD1 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 619, 620, 621,
&end
#
# 36 ASN HB3 123 GLY HA3 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 540,1941, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 36 ASN HD21 123 GLY HA3 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 544,1941, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 36 ASN HD21 123 GLY HA3 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 544,1941, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 36 ASN HD22 123 GLY HA3 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 545,1941, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 36 ASN HD22 123 GLY HA3 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 545,1941, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 37 GLU HN 37 GLU HB2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 549, 553, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 37 GLU HN 37 GLU HB3 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 549, 554, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 37 GLU HN 37 GLU HG2 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 549, 556, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 37 GLU HN 37 GLU HG3 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 549, 557, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 37 GLU HN 38 ARG HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 549, 564, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 37 GLU HN 72 ILE QD1 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1121,1122,1123,
&end
#
# 37 GLU HA 37 GLU HG2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 551, 556, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 37 GLU HA 37 GLU HG3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 551, 557, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 37 GLU HA 37 GLU QG 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 556, 557,
&end
#
# 37 GLU HA 38 ARG HA 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 551, 566, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 37 GLU HA 39 LYS QG 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 595, 596,
&end
#
# 37 GLU HA 40 LEU HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 551, 610, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 37 GLU HA 40 LEU HG 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 551, 617, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 37 GLU HA 40 LEU QB 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 614, 615,
&end
#
# 37 GLU HA 40 LEU QD1 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 619, 620, 621,
&end
#
# 37 GLU HA 41 ASN HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 551, 629, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 37 GLU HA 72 ILE QD1 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1121,1122,1123,
&end
#
# 37 GLU HA 72 ILE QG2 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1114,1115,1116,
&end
#
# 37 GLU HB2 38 ARG HN 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 553, 564, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 37 GLU HB2 41 ASN HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 553, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 GLU HB2 41 ASN HD21 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 553, 638, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 37 GLU HB2 41 ASN HD22 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= 553, 639, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 37 GLU HB2 72 ILE QD1 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1121,1122,1123,
&end
#
# 37 GLU HB2 72 ILE QG2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1114,1115,1116,
&end
#
# 37 GLU HB3 38 ARG HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 554, 564, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 37 GLU HB3 72 ILE HB 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 554,1112, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 37 GLU HB3 72 ILE QD1 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1121,1122,1123,
&end
#
# 37 GLU HB3 72 ILE QG2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1114,1115,1116,
&end
#
# 37 GLU HG2 72 ILE QD1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1121,1122,1123,
&end
#
# 37 GLU HG2 72 ILE QG2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1114,1115,1116,
&end
#
# 37 GLU HG3 72 ILE QD1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1121,1122,1123,
&end
#
# 37 GLU HG3 72 ILE QG2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1114,1115,1116,
&end
#
# 37 GLU QG 72 ILE QD1 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 556, 557,
igr2=1121,1122,1123,
&end
#
# 37 GLU QG 72 ILE QG2 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= 556, 557,
igr2=1114,1115,1116,
&end
#
# 38 ARG HN 38 ARG HG2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 564, 571, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 38 ARG HN 38 ARG HG3 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 564, 572, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 38 ARG HN 38 ARG QD 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 574, 575,
&end
#
# 38 ARG HN 38 ARG QG 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 571, 572,
&end
#
# 38 ARG HN 39 LYS HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 564, 588, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 38 ARG HA 38 ARG QD 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 574, 575,
&end
#
# 38 ARG HA 38 ARG QG 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 571, 572,
&end
#
# 38 ARG HA 41 ASN HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 566, 629, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 38 ARG HA 41 ASN HD21 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 566, 638, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 38 ARG HA 41 ASN QB 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 633, 634,
&end
#
# 38 ARG HA 42 ARG HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 566, 643, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 38 ARG HG2 39 LYS HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 571, 588, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 38 ARG HG3 39 LYS HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 572, 588, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 38 ARG QD 39 LYS HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 574, 575,
&end
#
# 38 ARG QD 39 LYS HA 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 574, 575,
&end
#
# 39 LYS HN 39 LYS HB2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 588, 592, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 39 LYS HN 39 LYS HB3 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 588, 593, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 39 LYS HN 39 LYS HG2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 588, 595, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 39 LYS HN 39 LYS HG3 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 588, 596, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 39 LYS HN 39 LYS QD 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 598, 599,
&end
#
# 39 LYS HN 39 LYS QE 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 601, 602,
&end
#
# 39 LYS HN 39 LYS QG 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 595, 596,
&end
#
# 39 LYS HN 40 LEU HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 588, 610, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 39 LYS HN 41 ASN HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 588, 629, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 39 LYS HA 39 LYS HB2 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= 590, 592, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 39 LYS HA 39 LYS HG2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 590, 595, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 39 LYS HA 39 LYS HG3 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 590, 596, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 39 LYS HA 39 LYS QE 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 601, 602,
&end
#
# 39 LYS HA 39 LYS QG 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 595, 596,
&end
#
# 39 LYS HA 40 LEU HA 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 590, 612, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 39 LYS HA 43 ALA HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 590, 667, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 39 LYS HB2 39 LYS QE 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 601, 602,
&end
#
# 39 LYS HB2 40 LEU HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 592, 610, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 39 LYS HB2 40 LEU HA 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 592, 612, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 39 LYS HB2 40 LEU HG 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 592, 617, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 39 LYS HB2 43 ALA QB 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 671, 672, 673,
&end
#
# 39 LYS HB3 39 LYS QE 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 601, 602,
&end
#
# 39 LYS HB3 40 LEU HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 593, 610, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 39 LYS HG2 40 LEU HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 595, 610, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 39 LYS HG3 40 LEU HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 596, 610, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 39 LYS QD 39 LYS QE 1.80 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1= 598, 599,
igr2= 601, 602,
&end
#
# 39 LYS QD 40 LEU QD2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 598, 599,
igr2= 623, 624, 625,
&end
#
# 39 LYS QE 40 LEU QD1 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 601, 602,
igr2= 619, 620, 621,
&end
#
# 39 LYS QE 40 LEU QD2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 601, 602,
igr2= 623, 624, 625,
&end
#
# 39 LYS QE 123 GLY HA3 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1941, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 601, 602,
&end
#
# 39 LYS QG 39 LYS QE 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 595, 596,
igr2= 601, 602,
&end
#
# 39 LYS QG 40 LEU HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 595, 596,
&end
#
# 39 LYS QG 40 LEU HG 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 595, 596,
&end
#
# 39 LYS QG 40 LEU QD1 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 595, 596,
igr2= 619, 620, 621,
&end
#
# 39 LYS QG 40 LEU QD2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 595, 596,
igr2= 623, 624, 625,
&end
#
# 40 LEU HN 40 LEU HB2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 610, 614, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 40 LEU HN 40 LEU HB3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 610, 615, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 40 LEU HN 40 LEU HG 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 610, 617, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 40 LEU HN 40 LEU QB 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 614, 615,
&end
#
# 40 LEU HN 40 LEU QD1 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 619, 620, 621,
&end
#
# 40 LEU HN 40 LEU QD2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 623, 624, 625,
&end
#
# 40 LEU HN 41 ASN HN 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 610, 629, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 40 LEU HN 68 MET QE 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1065,1066,1067,
&end
#
# 40 LEU HN 72 ILE QD1 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1121,1122,1123,
&end
#
# 40 LEU HA 40 LEU HG 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 612, 617, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 40 LEU HA 40 LEU QD1 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 619, 620, 621,
&end
#
# 40 LEU HA 40 LEU QD2 1.80 2.79
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr2= 623, 624, 625,
&end
#
# 40 LEU HA 43 ALA HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 612, 667, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 40 LEU HA 43 ALA QB 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 671, 672, 673,
&end
#
# 40 LEU HA 50 VAL QG1 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 783, 784, 785,
&end
#
# 40 LEU HB2 40 LEU QD1 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 619, 620, 621,
&end
#
# 40 LEU HB2 40 LEU QD2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 623, 624, 625,
&end
#
# 40 LEU HB2 41 ASN HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 614, 629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 40 LEU HB3 40 LEU QD1 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 619, 620, 621,
&end
#
# 40 LEU HB3 40 LEU QD2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 623, 624, 625,
&end
#
# 40 LEU HB3 41 ASN HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 615, 629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 40 LEU HG 41 ASN HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 617, 629, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 40 LEU HG 43 ALA QB 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 671, 672, 673,
&end
#
# 40 LEU HG 50 VAL QG1 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 783, 784, 785,
&end
#
# 40 LEU QB 40 LEU QD1 1.80 2.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 614, 615,
igr2= 619, 620, 621,
&end
#
# 40 LEU QB 40 LEU QD2 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 614, 615,
igr2= 623, 624, 625,
&end
#
# 40 LEU QB 41 ASN HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 614, 615,
&end
#
# 40 LEU QB 68 MET QE 1.80 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 614, 615,
igr2=1065,1066,1067,
&end
#
# 40 LEU QB 72 ILE QD1 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 614, 615,
igr2=1121,1122,1123,
&end
#
# 40 LEU QD1 41 ASN HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 619, 620, 621,
&end
#
# 40 LEU QD1 43 ALA QB 1.80 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1= 619, 620, 621,
igr2= 671, 672, 673,
&end
#
# 40 LEU QD1 50 VAL QG1 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 619, 620, 621,
igr2= 783, 784, 785,
&end
#
# 40 LEU QD1 52 LEU QD2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 619, 620, 621,
igr2= 827, 828, 829,
&end
#
# 40 LEU QD1 68 MET HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 619, 620, 621,
&end
#
# 40 LEU QD1 89 PHE HZ 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 619, 620, 621,
&end
#
# 40 LEU QD1 89 PHE QD 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 619, 620, 621,
igr2=1351,1359,
&end
#
# 40 LEU QD1 89 PHE QE 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= 619, 620, 621,
igr2=1353,1357,
&end
#
# 40 LEU QD1 123 GLY HA3 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1941, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 619, 620, 621,
&end
#
# 40 LEU QD2 41 ASN HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 623, 624, 625,
&end
#
# 40 LEU QD2 43 ALA QB 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 623, 624, 625,
igr2= 671, 672, 673,
&end
#
# 40 LEU QD2 50 VAL HB 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 623, 624, 625,
&end
#
# 40 LEU QD2 50 VAL QG1 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 623, 624, 625,
igr2= 783, 784, 785,
&end
#
# 40 LEU QD2 52 LEU QD1 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 623, 624, 625,
igr2= 823, 824, 825,
&end
#
# 40 LEU QD2 52 LEU QD2 1.80 2.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 623, 624, 625,
igr2= 827, 828, 829,
&end
#
# 40 LEU QD2 68 MET QE 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 623, 624, 625,
igr2=1065,1066,1067,
&end
#
# 40 LEU QD2 72 ILE QD1 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 623, 624, 625,
igr2=1121,1122,1123,
&end
#
# 40 LEU QD2 123 GLY HA3 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1941, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 623, 624, 625,
&end
#
# 41 ASN HN 41 ASN HB2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 629, 633, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 41 ASN HN 41 ASN HB3 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 629, 634, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 41 ASN HN 41 ASN HD21 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 629, 638, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 41 ASN HN 41 ASN QB 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 633, 634,
&end
#
# 41 ASN HN 42 ARG HN 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 629, 643, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 41 ASN HN 42 ARG HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 629, 648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 ASN HN 43 ALA HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 629, 667, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 41 ASN HN 68 MET QE 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1065,1066,1067,
&end
#
# 41 ASN HN 72 ILE QD1 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1121,1122,1123,
&end
#
# 41 ASN HN 72 ILE QG1 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1118,1119,
&end
#
# 41 ASN HA 43 ALA QB 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 671, 672, 673,
&end
#
# 41 ASN HA 44 PHE HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 631, 677, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 41 ASN HA 44 PHE HB2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 631, 681, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 41 ASN HA 44 PHE HB3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 631, 682, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 41 ASN HA 44 PHE QB 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 681, 682,
&end
#
# 41 ASN HA 44 PHE QD 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 685, 693,
&end
#
# 41 ASN HA 45 TRP HN 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= 631, 697, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 41 ASN HA 68 MET QE 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1065,1066,1067,
&end
#
# 41 ASN HA 71 GLU HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 631,1095, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 41 ASN HA 71 GLU HB2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 631,1097, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 41 ASN HA 72 ILE QD1 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1121,1122,1123,
&end
#
# 41 ASN HB2 42 ARG HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 633, 643, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 41 ASN HB3 42 ARG HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 634, 643, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 41 ASN HD21 72 ILE HB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 638,1112, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 41 ASN HD22 45 TRP HH2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 639, 712, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 41 ASN HD22 45 TRP HZ2 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 639, 710, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 41 ASN HD22 72 ILE HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 639,1108, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 41 ASN HD22 72 ILE HB 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 639,1112, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 41 ASN HD22 72 ILE QD1 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1121,1122,1123,
&end
#
# 41 ASN HD22 72 ILE QG2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1114,1115,1116,
&end
#
# 41 ASN QB 42 ARG HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 633, 634,
&end
#
# 41 ASN QB 45 TRP HH2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 633, 634,
&end
#
# 41 ASN QB 72 ILE QD1 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 633, 634,
igr2=1121,1122,1123,
&end
#
# 42 ARG HN 42 ARG HB3 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= 643, 648, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 42 ARG HN 42 ARG HG2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 643, 650, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 42 ARG HN 42 ARG HG3 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 643, 651, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 42 ARG HN 42 ARG QD 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 653, 654,
&end
#
# 42 ARG HN 43 ALA QB 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 671, 672, 673,
&end
#
# 42 ARG HA 42 ARG HG2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 645, 650, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 42 ARG HA 42 ARG HG3 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 645, 651, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 42 ARG HA 42 ARG QD 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 653, 654,
&end
#
# 42 ARG HA 45 TRP HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 645, 697, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 42 ARG HA 45 TRP HE3 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 645, 716, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 42 ARG HA 45 TRP QB 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 701, 702,
&end
#
# 42 ARG HA 46 GLU HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 645, 721, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 42 ARG HA 46 GLU QG 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 728, 729,
&end
#
# 42 ARG HB3 42 ARG HG2 1.80 2.91
&rst
ixpk= 0, nxpk= 0, iat= 648, 650, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 42 ARG HB3 43 ALA HN 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 648, 667, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 42 ARG HB3 44 PHE HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 648, 677, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 42 ARG HG2 42 ARG QD 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2= 653, 654,
&end
#
# 42 ARG HG2 43 ALA HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 650, 667, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 42 ARG HG2 43 ALA HA 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 650, 669, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 42 ARG HG2 46 GLU QG 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 650, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 728, 729,
&end
#
# 42 ARG HG3 43 ALA HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 651, 667, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 42 ARG HG3 45 TRP HE3 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= 651, 716, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 42 ARG HG3 46 GLU HN 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 651, 721, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 42 ARG HG3 46 GLU HG2 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 651, 728, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 42 ARG HG3 46 GLU HG3 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 651, 729, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 42 ARG HG3 46 GLU QG 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 728, 729,
&end
#
# 43 ALA HN 43 ALA QB 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 671, 672, 673,
&end
#
# 43 ALA HN 44 PHE HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 667, 677, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 43 ALA HN 50 VAL QG2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 787, 788, 789,
&end
#
# 43 ALA HA 46 GLU HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 669, 721, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 43 ALA HA 46 GLU HB2 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 669, 725, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 43 ALA HA 46 GLU HB3 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 669, 726, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 43 ALA HA 50 VAL QG2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 669, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 787, 788, 789,
&end
#
# 43 ALA QB 44 PHE HN 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 671, 672, 673,
&end
#
# 43 ALA QB 44 PHE HA 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 671, 672, 673,
&end
#
# 43 ALA QB 45 TRP HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 671, 672, 673,
&end
#
# 43 ALA QB 46 GLU HB2 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 671, 672, 673,
&end
#
# 43 ALA QB 50 VAL HA 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 671, 672, 673,
&end
#
# 43 ALA QB 50 VAL QG1 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= 671, 672, 673,
igr2= 783, 784, 785,
&end
#
# 43 ALA QB 50 VAL QG2 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= 671, 672, 673,
igr2= 787, 788, 789,
&end
#
# 43 ALA QB 68 MET QE 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 671, 672, 673,
igr2=1065,1066,1067,
&end
#
# 44 PHE HN 44 PHE HB2 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 677, 681, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 44 PHE HN 44 PHE HB3 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 677, 682, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 44 PHE HN 44 PHE QD 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 685, 693,
&end
#
# 44 PHE HN 45 TRP HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 677, 697, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 44 PHE HN 50 VAL QG2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 787, 788, 789,
&end
#
# 44 PHE HN 68 MET QE 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1065,1066,1067,
&end
#
# 44 PHE HA 44 PHE QD 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 685, 693,
&end
#
# 44 PHE HA 44 PHE QE 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 687, 691,
&end
#
# 44 PHE HA 47 SER HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 679, 736, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 44 PHE HA 47 SER QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 740, 741,
&end
#
# 44 PHE HA 50 VAL QG2 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 787, 788, 789,
&end
#
# 44 PHE HA 68 MET QE 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1065,1066,1067,
&end
#
# 44 PHE HB2 45 TRP HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 681, 697, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 44 PHE HB2 68 MET QE 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1065,1066,1067,
&end
#
# 44 PHE HB3 45 TRP HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 682, 697, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 44 PHE HB3 68 MET QE 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 682, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1065,1066,1067,
&end
#
# 44 PHE HZ 69 SER HA 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 689,1073, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 44 PHE HZ 70 SER HA 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 689,1084, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 44 PHE HZ 71 GLU HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 689,1093, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 44 PHE QB 45 TRP HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 681, 682,
&end
#
# 44 PHE QB 50 VAL QG2 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= 681, 682,
igr2= 787, 788, 789,
&end
#
# 44 PHE QB 71 GLU HA 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 681, 682,
&end
#
# 44 PHE QD 45 TRP HA 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 685, 693,
&end
#
# 44 PHE QD 45 TRP HD1 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 685, 693,
&end
#
# 44 PHE QD 45 TRP HE1 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 685, 693,
&end
#
# 44 PHE QD 50 VAL HB 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 685, 693,
&end
#
# 44 PHE QD 50 VAL QG1 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 685, 693,
igr2= 783, 784, 785,
&end
#
# 44 PHE QD 50 VAL QG2 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= 685, 693,
igr2= 787, 788, 789,
&end
#
# 44 PHE QD 68 MET HB3 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 685, 693,
&end
#
# 44 PHE QD 68 MET HG2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 685, 693,
&end
#
# 44 PHE QD 68 MET 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= 685, 693,
igr2=1065,1066,1067,
&end
#
# 44 PHE QD 71 GLU HA 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 685, 693,
&end
#
# 44 PHE QD 71 GLU HB3 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 685, 693,
&end
#
# 44 PHE QE 45 TRP HD1 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 687, 691,
&end
#
# 44 PHE QE 68 MET QE 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 687, 691,
igr2=1065,1066,1067,
&end
#
# 44 PHE QE 69 SER HA 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1073, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 687, 691,
&end
#
# 44 PHE QE 69 SER HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 687, 691,
&end
#
# 44 PHE QE 70 SER HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 687, 691,
&end
#
# 44 PHE QE 70 SER HA 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 687, 691,
&end
#
# 44 PHE QE 71 GLU HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 687, 691,
&end
#
# 44 PHE QE 71 GLU HB3 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 687, 691,
&end
#
# 45 TRP HN 45 TRP HD1 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 697, 705, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 45 TRP HN 45 TRP QB 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 701, 702,
&end
#
# 45 TRP HN 46 GLU HN 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 697, 721, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 45 TRP HN 68 MET QE 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=1065,1066,1067,
&end
#
# 45 TRP HA 45 TRP HD1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 699, 705, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 45 TRP HA 47 SER HN 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 699, 736, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 45 TRP HD1 71 GLU HB3 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 705,1098, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 45 TRP HE1 71 GLU HB2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 707,1097, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 45 TRP HE1 71 GLU HB3 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 707,1098, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 45 TRP HE1 71 GLU HG2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 707,1100, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 45 TRP HE1 71 GLU HG3 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 707,1101, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 45 TRP HZ2 71 GLU HB2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 710,1097, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 45 TRP HZ2 71 GLU HB3 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 710,1098, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 45 TRP HZ2 71 GLU HG2 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 710,1100, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 45 TRP HZ2 71 GLU HG3 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 710,1101, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 45 TRP QB 45 TRP HD1 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 705, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 701, 702,
&end
#
# 45 TRP QB 45 TRP HE3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 701, 702,
&end
#
# 45 TRP QB 46 GLU HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 701, 702,
&end
#
# 45 TRP QB 46 GLU HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 701, 702,
&end
#
# 45 TRP QB 46 GLU HG2 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 701, 702,
&end
#
# 45 TRP QB 46 GLU HG3 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 701, 702,
&end
#
# 45 TRP QB 46 GLU QG 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 701, 702,
igr2= 728, 729,
&end
#
# 46 GLU HN 46 GLU HB2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 721, 725, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 46 GLU HN 46 GLU HB3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 721, 726, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 46 GLU HN 46 GLU HG2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 721, 728, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 46 GLU HN 46 GLU HG3 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 721, 729, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 46 GLU HN 46 GLU QG 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 721, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 728, 729,
&end
#
# 46 GLU HN 47 SER HN 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 721, 736, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 46 GLU HA 46 GLU HG2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 723, 728, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 46 GLU HA 46 GLU HG3 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 723, 729, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 46 GLU HA 46 GLU QG 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 728, 729,
&end
#
# 46 GLU HB2 47 SER HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 725, 736, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 46 GLU HB3 47 SER HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 726, 736, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 47 SER HN 47 SER HB2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 736, 740, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 47 SER HN 47 SER HB3 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 736, 741, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 47 SER HN 47 SER HG 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 736, 743, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 47 SER HN 47 SER QB 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 740, 741,
&end
#
# 47 SER HN 48 SER HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 736, 747, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 47 SER HN 50 VAL QG2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 787, 788, 789,
&end
#
# 47 SER HB2 48 SER HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 740, 747, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 47 SER HB2 49 ILE HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 740, 758, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 47 SER HB2 50 VAL QG2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 787, 788, 789,
&end
#
# 47 SER HB3 48 SER HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 741, 747, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 47 SER HB3 49 ILE HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 741, 758, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 47 SER HB3 50 VAL QG2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 787, 788, 789,
&end
#
# 47 SER QB 48 SER HN 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 740, 741,
&end
#
# 47 SER QB 48 SER HA 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 740, 741,
&end
#
# 47 SER QB 49 ILE HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 758, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 740, 741,
&end
#
# 47 SER QB 50 VAL QG2 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 740, 741,
igr2= 787, 788, 789,
&end
#
# 48 SER HN 48 SER HB2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 747, 751, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 48 SER HN 48 SER HB3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 747, 752, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 48 SER HN 49 ILE HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 747, 758, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 48 SER HN 50 VAL QG2 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 787, 788, 789,
&end
#
# 48 SER HB2 49 ILE HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 751, 758, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 48 SER HB2 49 ILE HG13 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 751, 769, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 48 SER HB2 49 ILE QD1 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 771, 772, 773,
&end
#
# 48 SER HB3 49 ILE HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 752, 758, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 48 SER HB3 49 ILE HG12 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 752, 768, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 48 SER HB3 49 ILE HG13 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 752, 769, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 48 SER HB3 49 ILE QD1 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 771, 772, 773,
&end
#
# 48 SER HB3 49 ILE QG2 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 764, 765, 766,
&end
#
# 49 ILE HN 49 ILE HB 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 758, 762, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 49 ILE HN 49 ILE HG12 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 758, 768, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 49 ILE HN 49 ILE HG13 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 758, 769, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 49 ILE HN 49 ILE QD1 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 771, 772, 773,
&end
#
# 49 ILE HN 49 ILE QG2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 764, 765, 766,
&end
#
# 49 ILE HN 50 VAL HN 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= 758, 777, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 49 ILE HA 49 ILE HG12 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 760, 768, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 49 ILE HA 49 ILE HG13 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 760, 769, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 49 ILE HA 49 ILE QD1 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 771, 772, 773,
&end
#
# 49 ILE HA 49 ILE QG2 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 764, 765, 766,
&end
#
# 49 ILE HA 50 VAL HN 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= 760, 777, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 49 ILE HA 50 VAL HB 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 760, 781, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 49 ILE HA 50 VAL QG2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 787, 788, 789,
&end
#
# 49 ILE HB 49 ILE QD1 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 771, 772, 773,
&end
#
# 49 ILE HB 51 TYR QE 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 803, 808,
&end
#
# 49 ILE HB 67 ARG QD 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1040,1041,
&end
#
# 49 ILE HG12 67 ARG HE 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat= 768,1043, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 49 ILE HG13 50 VAL HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 769, 777, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 49 ILE QD1 50 VAL HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 771, 772, 773,
&end
#
# 49 ILE QD1 51 TYR QE 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= 771, 772, 773,
igr2= 803, 808,
&end
#
# 49 ILE QD1 67 ARG HB2 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 771, 772, 773,
&end
#
# 49 ILE QD1 67 ARG HB3 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 771, 772, 773,
&end
#
# 49 ILE QD1 67 ARG HD2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 771, 772, 773,
&end
#
# 49 ILE QD1 67 ARG HD3 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 771, 772, 773,
&end
#
# 49 ILE QD1 67 ARG HE 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 771, 772, 773,
&end
#
# 49 ILE QD1 67 ARG QD 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= 771, 772, 773,
igr2=1040,1041,
&end
#
# 49 ILE QD1 67 ARG QG 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= 771, 772, 773,
igr2=1037,1038,
&end
#
# 49 ILE QG2 49 ILE HG12 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 764, 765, 766,
&end
#
# 49 ILE QG2 49 ILE HG13 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 769, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 764, 765, 766,
&end
#
# 49 ILE QG2 49 ILE QD1 1.80 2.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 764, 765, 766,
igr2= 771, 772, 773,
&end
#
# 49 ILE QG2 50 VAL HN 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 777, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 764, 765, 766,
&end
#
# 49 ILE QG2 50 VAL HA 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 764, 765, 766,
&end
#
# 49 ILE QG2 50 VAL HB 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 781, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 764, 765, 766,
&end
#
# 49 ILE QG2 50 VAL QG1 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr1= 764, 765, 766,
igr2= 783, 784, 785,
&end
#
# 49 ILE QG2 50 VAL QG2 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1= 764, 765, 766,
igr2= 787, 788, 789,
&end
#
# 49 ILE QG2 51 TYR HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 764, 765, 766,
&end
#
# 49 ILE QG2 51 TYR QD 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 764, 765, 766,
igr2= 801, 810,
&end
#
# 49 ILE QG2 51 TYR 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= 764, 765, 766,
igr2= 803, 808,
&end
#
# 49 ILE QG2 67 ARG HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 764, 765, 766,
&end
#
# 49 ILE QG2 67 ARG HB2 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 764, 765, 766,
&end
#
# 49 ILE QG2 67 ARG HB3 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 764, 765, 766,
&end
#
# 49 ILE QG2 67 ARG HD2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 764, 765, 766,
&end
#
# 49 ILE QG2 67 ARG HD3 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 764, 765, 766,
&end
#
# 49 ILE QG2 67 ARG HE 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 764, 765, 766,
&end
#
# 49 ILE QG2 67 ARG QD 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 764, 765, 766,
igr2=1040,1041,
&end
#
# 49 ILE QG2 67 ARG QG 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 764, 765, 766,
igr2=1037,1038,
&end
#
# 49 ILE QG2 68 MET HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 764, 765, 766,
&end
#
# 49 ILE QG2 94 ILE QD1 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 764, 765, 766,
igr2=1453,1454,1455,
&end
#
# 50 VAL HN 50 VAL HB 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 777, 781, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 50 VAL HN 50 VAL QG1 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 783, 784, 785,
&end
#
# 50 VAL HN 50 VAL QG2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 787, 788, 789,
&end
#
# 50 VAL HN 51 TYR HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 777, 793, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 50 VAL HN 67 ARG QD 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1040,1041,
&end
#
# 50 VAL HN 67 ARG QG 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 777, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1037,1038,
&end
#
# 50 VAL HA 50 VAL QG1 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 783, 784, 785,
&end
#
# 50 VAL HA 50 VAL QG2 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 787, 788, 789,
&end
#
# 50 VAL HA 51 TYR HN 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 779, 793, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 50 VAL HA 51 TYR HB2 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 779, 797, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 50 VAL HB 68 MET HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 781,1054, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 50 VAL HB 68 MET HA 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 781,1056, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 50 VAL HB 68 MET HB2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 781,1058, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 50 VAL HB 68 MET HB3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 781,1059, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 50 VAL QG1 51 TYR HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 783, 784, 785,
&end
#
# 50 VAL QG1 51 TYR HA 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 783, 784, 785,
&end
#
# 50 VAL QG1 52 LEU HA 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 783, 784, 785,
&end
#
# 50 VAL QG1 67 ARG HA 1.80 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 783, 784, 785,
&end
#
# 50 VAL QG1 68 MET HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 783, 784, 785,
&end
#
# 50 VAL QG1 68 MET HA 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 783, 784, 785,
&end
#
# 50 VAL QG1 68 MET HB2 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 783, 784, 785,
&end
#
# 50 VAL QG1 68 MET HB3 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 783, 784, 785,
&end
#
# 50 VAL QG1 68 MET HG2 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 783, 784, 785,
&end
#
# 50 VAL QG1 68 MET HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 783, 784, 785,
&end
#
# 50 VAL QG1 68 MET QE 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 783, 784, 785,
igr2=1065,1066,1067,
&end
#
# 50 VAL QG2 51 TYR HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 787, 788, 789,
&end
#
# 50 VAL QG2 68 MET HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 787, 788, 789,
&end
#
# 50 VAL QG2 68 MET HB2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 787, 788, 789,
&end
#
# 50 VAL QG2 68 MET HB3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 787, 788, 789,
&end
#
# 50 VAL QG2 68 MET QE 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= 787, 788, 789,
igr2=1065,1066,1067,
&end
#
# 51 TYR HN 51 TYR HB2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 793, 797, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 51 TYR HN 51 TYR HB3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 793, 798, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 51 TYR HN 51 TYR QD 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 801, 810,
&end
#
# 51 TYR HN 52 LEU HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 793, 814, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 51 TYR HA 51 TYR QD 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 801, 810,
&end
#
# 51 TYR HA 51 TYR QE 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 803, 808,
&end
#
# 51 TYR HA 52 LEU HN 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 795, 814, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 51 TYR HA 52 LEU HG 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 795, 821, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 51 TYR HA 52 LEU QD2 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 827, 828, 829,
&end
#
# 51 TYR HA 68 MET HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 795,1054, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 51 TYR HB2 53 VAL QG2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 843, 844, 845,
&end
#
# 51 TYR HB2 135 LEU QD1 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=2125,2126,2127,
&end
#
# 51 TYR HB3 52 LEU HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 798, 814, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 51 TYR HB3 52 LEU HA 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= 798, 816, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 51 TYR HB3 53 VAL QG2 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 843, 844, 845,
&end
#
# 51 TYR HB3 94 ILE QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1453,1454,1455,
&end
#
# 51 TYR HB3 135 LEU QD1 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=2125,2126,2127,
&end
#
# 51 TYR QD 52 LEU HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 801, 810,
&end
#
# 51 TYR QD 66 SER HA 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 801, 810,
&end
#
# 51 TYR QD 67 ARG HA 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 801, 810,
&end
#
# 51 TYR QD 67 ARG HB2 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 801, 810,
&end
#
# 51 TYR QD 67 ARG HB3 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 801, 810,
&end
#
# 51 TYR QD 67 ARG QG 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= 801, 810,
igr2=1037,1038,
&end
#
# 51 TYR QD 94 ILE QD1 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 801, 810,
igr2=1453,1454,1455,
&end
#
# 51 TYR QD 135 LEU HG 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 801, 810,
&end
#
# 51 TYR QD 135 LEU QD1 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= 801, 810,
igr2=2125,2126,2127,
&end
#
# 51 TYR QD 135 LEU QD2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 801, 810,
igr2=2129,2130,2131,
&end
#
# 51 TYR QE 65 PHE HZ 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 803, 808,
&end
#
# 51 TYR QE 67 ARG HB2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 803, 808,
&end
#
# 51 TYR QE 67 ARG HB3 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 803, 808,
&end
#
# 51 TYR QE 67 ARG HD2 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 803, 808,
&end
#
# 51 TYR QE 67 ARG HD3 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 803, 808,
&end
#
# 51 TYR QE 67 ARG QG 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 803, 808,
igr2=1037,1038,
&end
#
# 51 TYR QE 94 ILE HG12 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 803, 808,
&end
#
# 51 TYR QE 94 ILE HG13 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 803, 808,
&end
#
# 51 TYR QE 94 ILE QD1 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 803, 808,
igr2=1453,1454,1455,
&end
#
# 51 TYR QE 94 ILE QG2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 803, 808,
igr2=1446,1447,1448,
&end
#
# 51 TYR QE 135 LEU QD1 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= 803, 808,
igr2=2125,2126,2127,
&end
#
# 51 TYR QE 135 LEU QD2 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 803, 808,
igr2=2129,2130,2131,
&end
#
# 52 LEU HN 52 LEU HB2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 814, 818, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 52 LEU HN 52 LEU HG 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 814, 821, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 52 LEU HN 52 LEU QD1 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 823, 824, 825,
&end
#
# 52 LEU HN 52 LEU QD2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 827, 828, 829,
&end
#
# 52 LEU HN 53 VAL QG2 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 843, 844, 845,
&end
#
# 52 LEU HN 66 SER HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 814,1019, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 52 LEU HN 67 ARG HA 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 814,1032, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 52 LEU HA 52 LEU QD2 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 827, 828, 829,
&end
#
# 52 LEU HA 53 VAL HN 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 816, 833, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 52 LEU HA 53 VAL HB 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 816, 837, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 52 LEU HA 53 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 839, 840, 841,
&end
#
# 52 LEU HA 53 VAL QG2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 843, 844, 845,
&end
#
# 52 LEU HB2 52 LEU QD1 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 823, 824, 825,
&end
#
# 52 LEU HB2 53 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 843, 844, 845,
&end
#
# 52 LEU HB2 54 PHE HZ 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 818, 861, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 52 LEU HB2 54 PHE QE 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 859, 863,
&end
#
# 52 LEU HB3 52 LEU QD1 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 823, 824, 825,
&end
#
# 52 LEU HB3 52 LEU QD2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 827, 828, 829,
&end
#
# 52 LEU HB3 53 VAL HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 819, 833, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 52 LEU HB3 54 PHE QD 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 857, 865,
&end
#
# 52 LEU HB3 54 PHE QE 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 859, 863,
&end
#
# 52 LEU HG 68 MET HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 821,1054, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 52 LEU HG 89 PHE QE 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1353,1357,
&end
#
# 52 LEU HG 91 VAL QG1 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1391,1392,1393,
&end
#
# 52 LEU QD1 54 PHE HZ 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 823, 824, 825,
&end
#
# 52 LEU QD1 54 PHE 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= 823, 824, 825,
igr2= 859, 863,
&end
#
# 52 LEU QD1 66 SER QB 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= 823, 824, 825,
igr2=1023,1024,
&end
#
# 52 LEU QD1 67 ARG HA 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 823, 824, 825,
&end
#
# 52 LEU QD1 68 MET HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 823, 824, 825,
&end
#
# 52 LEU QD1 68 MET HA 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 823, 824, 825,
&end
#
# 52 LEU QD1 68 MET HG3 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 823, 824, 825,
&end
#
# 52 LEU QD1 89 PHE HZ 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 823, 824, 825,
&end
#
# 52 LEU QD1 89 PHE QD 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= 823, 824, 825,
igr2=1351,1359,
&end
#
# 52 LEU QD1 89 PHE QE 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 823, 824, 825,
igr2=1353,1357,
&end
#
# 52 LEU QD1 91 VAL HA 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 823, 824, 825,
&end
#
# 52 LEU QD1 91 VAL QG2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 823, 824, 825,
igr2=1395,1396,1397,
&end
#
# 52 LEU QD2 67 ARG HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 827, 828, 829,
&end
#
# 52 LEU QD2 68 MET HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 827, 828, 829,
&end
#
# 52 LEU QD2 68 MET HB2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 827, 828, 829,
&end
#
# 52 LEU QD2 68 MET QE 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 827, 828, 829,
igr2=1065,1066,1067,
&end
#
# 52 LEU QD2 89 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= 827, 828, 829,
igr2=1351,1359,
&end
#
# 53 VAL HN 53 VAL HB 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 833, 837, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 53 VAL HN 53 VAL QG1 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 839, 840, 841,
&end
#
# 53 VAL HN 53 VAL QG2 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 843, 844, 845,
&end
#
# 53 VAL HN 135 LEU QD2 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2129,2130,2131,
&end
#
# 53 VAL HA 53 VAL QG1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 839, 840, 841,
&end
#
# 53 VAL HA 53 VAL QG2 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 843, 844, 845,
&end
#
# 53 VAL HA 54 PHE HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 835, 849, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 53 VAL HA 54 PHE QD 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 857, 865,
&end
#
# 53 VAL HA 65 PHE HA 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 835,1001, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 53 VAL HA 65 PHE HB2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 835,1003, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 53 VAL HA 65 PHE HB3 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 835,1004, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 53 VAL HA 66 SER HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 835,1019, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 53 VAL HB 126 LEU QD2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1990,1991,1992,
&end
#
# 53 VAL HB 134 LEU QD2 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=2110,2111,2112,
&end
#
# 53 VAL HB 135 LEU QD2 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=2129,2130,2131,
&end
#
# 53 VAL QG1 54 PHE HN 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 839, 840, 841,
&end
#
# 53 VAL QG1 54 PHE HA 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 839, 840, 841,
&end
#
# 53 VAL QG1 54 PHE QD 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 839, 840, 841,
igr2= 857, 865,
&end
#
# 53 VAL QG1 55 SER HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 839, 840, 841,
&end
#
# 53 VAL QG1 55 SER HB2 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 839, 840, 841,
&end
#
# 53 VAL QG1 62 PHE HA 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 839, 840, 841,
&end
#
# 53 VAL QG1 62 PHE HB2 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 839, 840, 841,
&end
#
# 53 VAL QG1 62 PHE HB3 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 839, 840, 841,
&end
#
# 53 VAL QG1 62 PHE HZ 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 839, 840, 841,
&end
#
# 53 VAL QG1 62 PHE QD 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 839, 840, 841,
igr2= 963, 971,
&end
#
# 53 VAL QG1 62 PHE QE 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 839, 840, 841,
igr2= 965, 969,
&end
#
# 53 VAL QG1 64 GLY HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 839, 840, 841,
&end
#
# 53 VAL QG1 64 GLY QA 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= 839, 840, 841,
igr2= 994, 995,
&end
#
# 53 VAL QG1 65 PHE HA 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 839, 840, 841,
&end
#
# 53 VAL QG1 65 PHE HB2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 839, 840, 841,
&end
#
# 53 VAL QG1 65 PHE HB3 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 839, 840, 841,
&end
#
# 53 VAL QG1 65 PHE QB 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 839, 840, 841,
igr2=1003,1004,
&end
#
# 53 VAL QG1 134 LEU HG 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,2104, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 839, 840, 841,
&end
#
# 53 VAL QG1 134 LEU QD1 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 839, 840, 841,
igr2=2106,2107,2108,
&end
#
# 53 VAL QG1 134 LEU QD2 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 839, 840, 841,
igr2=2110,2111,2112,
&end
#
# 53 VAL QG1 135 LEU QD2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 839, 840, 841,
igr2=2129,2130,2131,
&end
#
# 53 VAL QG1 138 TRP HH2 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2186, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 839, 840, 841,
&end
#
# 53 VAL QG1 138 TRP HZ2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,2184, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 839, 840, 841,
&end
#
# 53 VAL QG1 138 TRP HZ3 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2188, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 839, 840, 841,
&end
#
# 53 VAL QG2 54 PHE HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 843, 844, 845,
&end
#
# 53 VAL QG2 54 PHE QD 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 843, 844, 845,
igr2= 857, 865,
&end
#
# 53 VAL QG2 62 PHE QD 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 843, 844, 845,
igr2= 963, 971,
&end
#
# 53 VAL QG2 65 PHE HA 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 843, 844, 845,
&end
#
# 53 VAL QG2 65 PHE HB2 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 843, 844, 845,
&end
#
# 53 VAL QG2 65 PHE HB3 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 843, 844, 845,
&end
#
# 53 VAL QG2 65 PHE QB 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 843, 844, 845,
igr2=1003,1004,
&end
#
# 53 VAL QG2 66 SER HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 843, 844, 845,
&end
#
# 53 VAL QG2 126 LEU QD2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 843, 844, 845,
igr2=1990,1991,1992,
&end
#
# 53 VAL QG2 134 LEU HB3 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 843, 844, 845,
&end
#
# 53 VAL QG2 134 LEU HG 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2104, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 843, 844, 845,
&end
#
# 53 VAL QG2 134 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= 843, 844, 845,
igr2=2110,2111,2112,
&end
#
# 53 VAL QG2 135 LEU HA 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 843, 844, 845,
&end
#
# 53 VAL QG2 135 LEU QD1 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 843, 844, 845,
igr2=2125,2126,2127,
&end
#
# 53 VAL QG2 135 LEU QD2 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 843, 844, 845,
igr2=2129,2130,2131,
&end
#
# 53 VAL QG2 138 TRP HH2 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,2186, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 843, 844, 845,
&end
#
# 53 VAL QG2 138 TRP HZ3 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2188, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 843, 844, 845,
&end
#
# 54 PHE HN 54 PHE HB2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 849, 853, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 54 PHE HN 54 PHE HB3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 849, 854, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 54 PHE HN 54 PHE QB 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 853, 854,
&end
#
# 54 PHE HN 54 PHE QD 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 857, 865,
&end
#
# 54 PHE HN 65 PHE HA 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 849,1001, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 54 PHE HN 65 PHE QB 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1003,1004,
&end
#
# 54 PHE HA 54 PHE QD 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 857, 865,
&end
#
# 54 PHE HA 55 SER HN 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 851, 869, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 54 PHE HB2 55 SER HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 853, 869, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 54 PHE HB2 93 TRP HH2 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 853,1431, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 54 PHE HB3 54 PHE HD2 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat= 854, 865, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 54 PHE HB3 55 SER HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 854, 869, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 54 PHE HB3 93 TRP HH2 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 854,1431, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 54 PHE HZ 89 PHE QE 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1353,1357,
&end
#
# 54 PHE HZ 91 VAL QG1 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1391,1392,1393,
&end
#
# 54 PHE HZ 91 VAL QG2 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1395,1396,1397,
&end
#
# 54 PHE QB 55 SER HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 853, 854,
&end
#
# 54 PHE QD 55 SER HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 857, 865,
&end
#
# 54 PHE QD 65 PHE HA 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 857, 865,
&end
#
# 54 PHE QD 65 PHE QB 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 857, 865,
igr2=1003,1004,
&end
#
# 54 PHE QD 66 SER HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 857, 865,
&end
#
# 54 PHE QD 93 TRP HH2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 857, 865,
&end
#
# 54 PHE QD 93 TRP HZ2 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 857, 865,
&end
#
# 54 PHE QD 93 TRP HZ3 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 857, 865,
&end
#
# 54 PHE QE 65 PHE HA 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 859, 863,
&end
#
# 54 PHE QE 66 SER HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 859, 863,
&end
#
# 54 PHE QE 66 SER HB2 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 859, 863,
&end
#
# 54 PHE QE 66 SER HB3 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 859, 863,
&end
#
# 54 PHE QE 91 VAL QG1 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 859, 863,
igr2=1391,1392,1393,
&end
#
# 55 SER HN 55 SER HB2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 869, 873, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 55 SER HN 55 SER HB3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 869, 874, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 55 SER HN 56 VAL HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 869, 880, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 55 SER HN 56 VAL QG2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 890, 891, 892,
&end
#
# 55 SER HN 62 PHE QD 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 963, 971,
&end
#
# 55 SER HN 63 GLN HB2 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat= 869, 979, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 55 SER HN 63 GLN HB3 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat= 869, 980, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 55 SER HN 63 GLN QB 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 979, 980,
&end
#
# 55 SER HA 56 VAL HB 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 871, 884, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 55 SER HA 56 VAL QG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 890, 891, 892,
&end
#
# 55 SER HA 62 PHE QD 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 963, 971,
&end
#
# 55 SER HA 63 GLN HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 871, 975, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 55 SER HA 64 GLY HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 871, 992, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 SER HB2 62 PHE HA 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 873, 957, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 55 SER HB2 62 PHE QD 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 963, 971,
&end
#
# 55 SER HB2 62 PHE QE 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 965, 969,
&end
#
# 55 SER HB3 62 PHE HA 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 874, 957, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 55 SER HB3 62 PHE QD 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 963, 971,
&end
#
# 55 SER HB3 62 PHE QE 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 965, 969,
&end
#
# 56 VAL HN 56 VAL HB 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 880, 884, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 56 VAL HN 56 VAL QG1 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 886, 887, 888,
&end
#
# 56 VAL HN 56 VAL QG2 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 890, 891, 892,
&end
#
# 56 VAL HA 56 VAL QG1 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 886, 887, 888,
&end
#
# 56 VAL HA 56 VAL QG2 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 890, 891, 892,
&end
#
# 56 VAL HB 59 SER HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 884, 920, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 VAL HB 59 SER HB2 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 884, 924, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 56 VAL HB 59 SER HB3 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 884, 925, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 56 VAL HB 59 SER QB 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 924, 925,
&end
#
# 56 VAL HB 63 GLN QE2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 884, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 987, 988,
&end
#
# 56 VAL QG1 57 GLN HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 886, 887, 888,
&end
#
# 56 VAL QG1 57 GLN HA 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 886, 887, 888,
&end
#
# 56 VAL QG1 57 GLN HB2 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 886, 887, 888,
&end
#
# 56 VAL QG1 57 GLN HB3 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 886, 887, 888,
&end
#
# 56 VAL QG1 58 GLY HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 886, 887, 888,
&end
#
# 56 VAL QG1 59 SER HN 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 886, 887, 888,
&end
#
# 56 VAL QG1 59 SER HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 886, 887, 888,
&end
#
# 56 VAL QG1 59 SER HB2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 886, 887, 888,
&end
#
# 56 VAL QG1 59 SER HB3 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 925, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 886, 887, 888,
&end
#
# 56 VAL QG1 59 SER QB 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 886, 887, 888,
igr2= 924, 925,
&end
#
# 56 VAL QG2 57 GLN HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 890, 891, 892,
&end
#
# 56 VAL QG2 59 SER 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= 890, 891, 892,
igr2= 924, 925,
&end
#
# 56 VAL QG2 63 GLN HB2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 890, 891, 892,
&end
#
# 56 VAL QG2 63 GLN HB3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 890, 891, 892,
&end
#
# 56 VAL QG2 63 GLN HE21 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 890, 891, 892,
&end
#
# 56 VAL QG2 63 GLN HE22 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 890, 891, 892,
&end
#
# 56 VAL QG2 63 GLN QE2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 890, 891, 892,
igr2= 987, 988,
&end
#
# 56 VAL QG2 63 GLN QG 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= 890, 891, 892,
igr2= 982, 983,
&end
#
# 57 GLN HA 57 GLN HN 2.50 100.00
&rst
ixpk= 0, nxpk= 0, iat= 898, 896, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 57 GLN HA 57 GLN HG2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 898, 903, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 57 GLN HA 57 GLN HG3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 898, 904, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 59 SER QB 63 GLN QE2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 924, 925,
igr2= 987, 988,
&end
#
# 61 HIS HA 62 PHE HN 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 940, 955, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 61 HIS HA 100 PRO HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 940,1560, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 61 HIS HA 101 PHE HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 940,1564, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 61 HIS HA 101 PHE HA 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= 940,1566, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 61 HIS HA 101 PHE QD 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1572,1580,
&end
#
# 61 HIS HB2 62 PHE HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 942, 955, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 61 HIS HB3 62 PHE HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 943, 955, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 61 HIS HD2 98 SER HB2 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 951,1524, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 61 HIS HD2 98 SER HB3 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 951,1525, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 61 HIS HD2 100 PRO HD2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 951,1551, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 61 HIS HD2 100 PRO HD3 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 951,1552, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 61 HIS HD2 100 PRO QG 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1554,1555,
&end
#
# 61 HIS QB 62 PHE HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 942, 943,
&end
#
# 61 HIS QB 98 SER HA 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 942, 943,
&end
#
# 61 HIS QB 98 SER QB 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 942, 943,
igr2=1524,1525,
&end
#
# 62 PHE HN 62 PHE HB3 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 955, 960, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 62 PHE HN 62 PHE QD 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 963, 971,
&end
#
# 62 PHE HN 63 GLN HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 955, 975, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 62 PHE HA 62 PHE QD 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 963, 971,
&end
#
# 62 PHE HB2 64 GLY HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 959, 992, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 62 PHE HB2 99 LEU HB2 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 959,1535, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 62 PHE HB2 99 LEU HB3 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 959,1536, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 62 PHE HB2 99 LEU QD2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1544,1545,1546,
&end
#
# 62 PHE HB2 138 TRP HH2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 959,2186, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 62 PHE HB2 138 TRP HZ2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 959,2184, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 62 PHE HB3 63 GLN HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 960, 975, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 62 PHE HB3 64 GLY HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 960, 992, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 62 PHE HB3 99 LEU HB3 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 960,1536, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 62 PHE HB3 99 LEU QD2 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1544,1545,1546,
&end
#
# 62 PHE HB3 138 TRP HH2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 960,2186, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 62 PHE HB3 138 TRP HZ2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 960,2184, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 62 PHE HZ 101 PHE HZ 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 967,1576, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 PHE HZ 104 ALA QB 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1625,1626,1627,
&end
#
# 62 PHE HZ 117 VAL HB 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 967,1843, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 62 PHE HZ 117 VAL QG1 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1845,1846,1847,
&end
#
# 62 PHE HZ 118 GLN HA 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 967,1857, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 62 PHE HZ 134 LEU QD1 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2106,2107,2108,
&end
#
# 62 PHE HZ 134 LEU QD2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=2110,2111,2112,
&end
#
# 62 PHE QD 99 LEU HB3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 963, 971,
&end
#
# 62 PHE QD 99 LEU HG 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 963, 971,
&end
#
# 62 PHE QD 99 LEU QD2 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= 963, 971,
igr2=1544,1545,1546,
&end
#
# 62 PHE QD 101 PHE HA 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 963, 971,
&end
#
# 62 PHE QD 101 PHE 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= 963, 971,
igr2=1572,1580,
&end
#
# 62 PHE QD 101 PHE QE 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 963, 971,
igr2=1574,1578,
&end
#
# 62 PHE QD 104 ALA QB 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 963, 971,
igr2=1625,1626,1627,
&end
#
# 62 PHE QD 117 VAL QG1 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 963, 971,
igr2=1845,1846,1847,
&end
#
# 62 PHE QD 134 LEU QD1 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 963, 971,
igr2=2106,2107,2108,
&end
#
# 62 PHE QD 134 LEU QD2 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= 963, 971,
igr2=2110,2111,2112,
&end
#
# 62 PHE QD 138 TRP HH2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,2186, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 963, 971,
&end
#
# 62 PHE QE 99 LEU QD2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 965, 969,
igr2=1544,1545,1546,
&end
#
# 62 PHE QE 101 PHE HA 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 965, 969,
&end
#
# 62 PHE QE 101 PHE QE 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= 965, 969,
igr2=1574,1578,
&end
#
# 62 PHE QE 104 ALA QB 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 965, 969,
igr2=1625,1626,1627,
&end
#
# 62 PHE QE 117 VAL QG1 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 965, 969,
igr2=1845,1846,1847,
&end
#
# 62 PHE QE 118 GLN HA 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 965, 969,
&end
#
# 62 PHE QE 134 LEU QD1 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 965, 969,
igr2=2106,2107,2108,
&end
#
# 62 PHE QE 134 LEU QD2 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= 965, 969,
igr2=2110,2111,2112,
&end
#
# 63 GLN HN 64 GLY HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 975, 992, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 63 GLN HA 63 GLN QG 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 982, 983,
&end
#
# 63 GLN HA 98 SER HA 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 977,1522, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 63 GLN HA 98 SER QB 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1524,1525,
&end
#
# 63 GLN HA 99 LEU HN 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 977,1531, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 64 GLY HN 98 SER HA 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= 992,1522, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 64 GLY HN 138 TRP HE1 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= 992,2181, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 64 GLY HN 138 TRP HH2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 992,2186, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 64 GLY HA3 96 LYS HA 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 995,1485, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 64 GLY HA3 138 TRP HE1 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 995,2181, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 64 GLY HA3 138 TRP HZ2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 995,2184, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 64 GLY HA3 96 LYS HA 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 995,1485, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 64 GLY HA3 138 TRP HE1 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 995,2181, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 64 GLY HA3 138 TRP HZ2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 995,2184, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 64 GLY QA 93 TRP HE3 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1435, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 994, 995,
&end
#
# 64 GLY QA 93 TRP HZ3 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 994, 995,
&end
#
# 64 GLY QA 96 LYS HA 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 994, 995,
&end
#
# 64 GLY QA 138 TRP HZ2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2184, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 994, 995,
&end
#
# 65 PHE HN 66 SER HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 999,1019, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 65 PHE HN 93 TRP HE3 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 999,1435, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 65 PHE HN 93 TRP HZ3 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 999,1433, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 65 PHE HN 95 ARG HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 999,1459, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 65 PHE HN 138 TRP HZ2 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 999,2184, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 65 PHE HA 66 SER HN 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat=1001,1019, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 65 PHE HB2 66 SER HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1003,1019, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 65 PHE HB2 135 LEU QD2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=2129,2130,2131,
&end
#
# 65 PHE HB3 66 SER HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1004,1019, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 65 PHE HB3 135 LEU QD2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=2129,2130,2131,
&end
#
# 65 PHE HE1 94 ILE QD1 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1453,1454,1455,
&end
#
# 65 PHE HE1 94 ILE QG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1446,1447,1448,
&end
#
# 65 PHE HE1 135 LEU QD1 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2125,2126,2127,
&end
#
# 65 PHE HE1 135 LEU QD2 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2129,2130,2131,
&end
#
# 65 PHE HE2 94 ILE QD1 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1453,1454,1455,
&end
#
# 65 PHE HE2 94 ILE QG2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1446,1447,1448,
&end
#
# 65 PHE HE2 135 LEU QD1 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2125,2126,2127,
&end
#
# 65 PHE HE2 135 LEU QD2 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2129,2130,2131,
&end
#
# 65 PHE HZ 94 ILE HG13 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1011,1451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 PHE HZ 94 ILE QD1 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1453,1454,1455,
&end
#
# 65 PHE HZ 94 ILE QG2 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1446,1447,1448,
&end
#
# 65 PHE HZ 95 ARG HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1011,1459, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 PHE HZ 95 ARG HG2 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1011,1466, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 65 PHE HZ 95 ARG HG3 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1011,1467, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 65 PHE HZ 95 ARG QG 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1466,1467,
&end
#
# 65 PHE HZ 135 LEU QD1 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2125,2126,2127,
&end
#
# 65 PHE HZ 135 LEU QD2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2129,2130,2131,
&end
#
# 65 PHE QB 66 SER HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1003,1004,
&end
#
# 65 PHE QB 94 ILE QD1 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=1003,1004,
igr2=1453,1454,1455,
&end
#
# 65 PHE QB 135 LEU QD1 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1003,1004,
igr2=2125,2126,2127,
&end
#
# 65 PHE QB 135 LEU QD2 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1003,1004,
igr2=2129,2130,2131,
&end
#
# 65 PHE QD 94 ILE QD1 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1007,1015,
igr2=1453,1454,1455,
&end
#
# 65 PHE QD 94 ILE QG2 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1007,1015,
igr2=1446,1447,1448,
&end
#
# 66 SER HN 67 ARG HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat=1019,1030, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 66 SER HN 94 ILE QD1 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1453,1454,1455,
&end
#
# 66 SER HA 67 ARG HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1021,1030, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 SER HA 67 ARG HB3 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1021,1035, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 66 SER HA 91 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1391,1392,1393,
&end
#
# 66 SER HA 93 TRP HA 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1021,1418, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 66 SER HA 94 ILE HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1021,1440, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 66 SER HA 94 ILE HB 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1021,1444, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 66 SER HA 94 ILE HG12 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat=1021,1450, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 66 SER HA 94 ILE HG13 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1021,1451, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 66 SER HA 94 ILE QD1 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1453,1454,1455,
&end
#
# 66 SER HA 94 ILE QG2 1.80 5.49
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1446,1447,1448,
&end
#
# 66 SER HA 95 ARG HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1021,1459, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 66 SER HB2 67 ARG HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1023,1030, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 66 SER HB2 91 VAL HB 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1023,1389, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 66 SER HB2 91 VAL QG1 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1391,1392,1393,
&end
#
# 66 SER HB2 91 VAL QG2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1395,1396,1397,
&end
#
# 66 SER HB2 92 GLU HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1023,1401, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 66 SER HB2 93 TRP HA 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=1023,1418, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 66 SER HB2 94 ILE QD1 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1453,1454,1455,
&end
#
# 66 SER HB3 67 ARG HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1024,1030, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 66 SER HB3 91 VAL HB 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1024,1389, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 66 SER HB3 91 VAL QG1 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1391,1392,1393,
&end
#
# 66 SER HB3 91 VAL QG2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1395,1396,1397,
&end
#
# 66 SER HB3 92 GLU HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1024,1401, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 66 SER HB3 93 TRP HA 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=1024,1418, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 66 SER HB3 94 ILE QD1 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1453,1454,1455,
&end
#
# 66 SER QB 67 ARG HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1023,1024,
&end
#
# 66 SER QB 91 VAL HB 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1023,1024,
&end
#
# 66 SER QB 91 VAL QG1 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=1023,1024,
igr2=1391,1392,1393,
&end
#
# 66 SER QB 91 VAL QG2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1023,1024,
igr2=1395,1396,1397,
&end
#
# 66 SER QB 92 GLU HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1023,1024,
&end
#
# 66 SER QB 93 TRP HE1 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1023,1024,
&end
#
# 66 SER QB 94 ILE HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1023,1024,
&end
#
# 66 SER QB 94 ILE QD1 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=1023,1024,
igr2=1453,1454,1455,
&end
#
# 67 ARG HN 67 ARG HB2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1030,1034, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 67 ARG HN 67 ARG HB3 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1030,1035, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 67 ARG HN 67 ARG HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1030,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ARG HN 67 ARG HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1030,1041, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ARG HN 67 ARG QD 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1040,1041,
&end
#
# 67 ARG HN 67 ARG QG 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1037,1038,
&end
#
# 67 ARG HN 68 MET HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat=1030,1054, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 67 ARG HN 91 VAL HB 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat=1030,1389, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 67 ARG HN 92 GLU HB2 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat=1030,1405, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 67 ARG HN 92 GLU HB3 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1030,1406, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 67 ARG HN 93 TRP HA 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1030,1418, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 67 ARG HN 94 ILE HG12 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat=1030,1450, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 67 ARG HN 94 ILE QD1 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1453,1454,1455,
&end
#
# 67 ARG HA 67 ARG HD2 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1032,1040, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 67 ARG HA 67 ARG HD3 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1032,1041, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 67 ARG HA 67 ARG QD 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1040,1041,
&end
#
# 67 ARG HA 67 ARG QG 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1037,1038,
&end
#
# 67 ARG HA 68 MET HN 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat=1032,1054, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 67 ARG HA 94 ILE QD1 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1453,1454,1455,
&end
#
# 67 ARG HB2 67 ARG HD2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1034,1040, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 67 ARG HB2 67 ARG HD3 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1034,1041, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 67 ARG HB2 94 ILE QD1 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1453,1454,1455,
&end
#
# 67 ARG HB3 67 ARG HD2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1035,1040, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 67 ARG HB3 67 ARG HD3 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1035,1041, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 67 ARG HB3 68 MET HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1035,1054, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 67 ARG HB3 69 SER HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1035,1075, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ARG HB3 94 ILE QD1 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2=1453,1454,1455,
&end
#
# 67 ARG HD2 94 ILE QD1 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1453,1454,1455,
&end
#
# 67 ARG HD3 94 ILE QD1 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1453,1454,1455,
&end
#
# 67 ARG HE 94 ILE QD1 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1453,1454,1455,
&end
#
# 67 ARG QD 94 ILE HG13 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1040,1041,
&end
#
# 67 ARG QG 68 MET HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1037,1038,
&end
#
# 67 ARG QG 69 SER HB2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1037,1038,
&end
#
# 67 ARG QG 92 GLU HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1037,1038,
&end
#
# 67 ARG QG 92 GLU HB2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1037,1038,
&end
#
# 67 ARG QG 92 GLU HB3 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1406, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1037,1038,
&end
#
# 67 ARG QG 94 ILE QD1 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=1037,1038,
igr2=1453,1454,1455,
&end
#
# 68 MET HN 68 MET HB2 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat=1054,1058, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 68 MET HN 68 MET HB3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1054,1059, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 68 MET HN 69 SER HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat=1054,1071, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 68 MET HN 91 VAL QG1 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1391,1392,1393,
&end
#
# 68 MET HA 68 MET HG2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1056,1061, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 68 MET HA 68 MET HG3 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1056,1062, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 68 MET HA 68 MET QE 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1065,1066,1067,
&end
#
# 68 MET HA 69 SER HN 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat=1056,1071, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 68 MET HA 69 SER HB2 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat=1056,1075, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 68 MET HA 69 SER HB3 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat=1056,1076, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 68 MET HA 70 SER HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1056,1082, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 68 MET HA 89 PHE QD 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1351,1359,
&end
#
# 68 MET HA 91 VAL HA 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1056,1387, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 68 MET HA 91 VAL HB 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1056,1389, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 68 MET HA 91 VAL QG1 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1391,1392,1393,
&end
#
# 68 MET HA 91 VAL QG2 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1395,1396,1397,
&end
#
# 68 MET HA 92 GLU HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=1056,1401, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 68 MET HB2 91 VAL QG1 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1391,1392,1393,
&end
#
# 68 MET HB3 68 MET QE 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1065,1066,1067,
&end
#
# 68 MET HG2 68 MET QE 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1065,1066,1067,
&end
#
# 68 MET HG2 69 SER HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1061,1071, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 68 MET HG2 70 SER HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1061,1082, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 68 MET HG2 89 PHE QD 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1351,1359,
&end
#
# 68 MET HG2 89 PHE QE 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1353,1357,
&end
#
# 68 MET HG3 68 MET QE 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1065,1066,1067,
&end
#
# 68 MET HG3 69 SER HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1062,1071, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 68 MET HG3 70 SER HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1062,1082, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 68 MET HG3 89 PHE QD 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1351,1359,
&end
#
# 68 MET HG3 89 PHE QE 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1353,1357,
&end
#
# 68 MET HG3 91 VAL QG1 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1391,1392,1393,
&end
#
# 68 MET QE 69 SER HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1065,1066,1067,
&end
#
# 68 MET QE 70 SER HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1065,1066,1067,
&end
#
# 68 MET QE 71 GLU HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1065,1066,1067,
&end
#
# 68 MET QE 71 GLU HA 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=1065,1066,1067,
&end
#
# 68 MET QE 71 GLU HB2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1065,1066,1067,
&end
#
# 68 MET QE 71 GLU HB3 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1098, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1065,1066,1067,
&end
#
# 68 MET QE 72 ILE HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1065,1066,1067,
&end
#
# 68 MET QE 72 ILE HB 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1065,1066,1067,
&end
#
# 68 MET QE 72 ILE HG12 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1065,1066,1067,
&end
#
# 68 MET QE 72 ILE HG13 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1065,1066,1067,
&end
#
# 68 MET QE 72 ILE QD1 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=1065,1066,1067,
igr2=1121,1122,1123,
&end
#
# 68 MET QE 72 ILE QG1 1.80 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1065,1066,1067,
igr2=1118,1119,
&end
#
# 68 MET QE 89 PHE QD 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=1065,1066,1067,
igr2=1351,1359,
&end
#
# 68 MET QE 89 PHE QE 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1065,1066,1067,
igr2=1353,1357,
&end
#
# 68 MET QE 91 VAL QG1 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1065,1066,1067,
igr2=1391,1392,1393,
&end
#
# 69 SER HN 69 SER HB2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1071,1075, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 69 SER HN 69 SER HB3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1071,1076, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 69 SER HN 70 SER HN 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1071,1082, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 69 SER HN 91 VAL HA 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1071,1387, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 69 SER HN 91 VAL HB 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat=1071,1389, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 69 SER HN 91 VAL QG1 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1391,1392,1393,
&end
#
# 69 SER HN 92 GLU HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1071,1401, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 69 SER HA 69 SER HG 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1073,1078, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 69 SER HA 70 SER HA 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1073,1084, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 69 SER HB2 70 SER HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1075,1082, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 69 SER HB2 90 LYS HB3 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1075,1368, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 69 SER HB2 90 LYS QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1373,1374,
&end
#
# 69 SER HB2 92 GLU HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1075,1401, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 69 SER HB2 92 GLU HB2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1075,1405, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 69 SER HB2 92 GLU HB3 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1075,1406, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 69 SER HB2 92 GLU QG 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1408,1409,
&end
#
# 69 SER HB3 70 SER HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=1076,1082, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 69 SER HB3 90 LYS HB2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1076,1367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 SER HB3 90 LYS HB3 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1076,1368, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 69 SER HB3 90 LYS QD 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1373,1374,
&end
#
# 69 SER HB3 92 GLU HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1076,1401, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 69 SER HB3 92 GLU HB2 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1076,1405, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 69 SER HB3 92 GLU QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1408,1409,
&end
#
# 69 SER HG 90 LYS HB2 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat=1078,1367, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 70 SER HN 70 SER HB2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1082,1086, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 70 SER HN 70 SER HB3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1082,1087, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 70 SER HN 71 GLU HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1082,1093, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 70 SER HN 89 PHE QD 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1351,1359,
&end
#
# 70 SER HN 90 LYS HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1082,1363, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 70 SER HN 90 LYS HB2 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat=1082,1367, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 70 SER HN 91 VAL QG1 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1391,1392,1393,
&end
#
# 70 SER HA 71 GLU HN 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat=1084,1093, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 70 SER HA 71 GLU HB3 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat=1084,1098, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 70 SER HA 71 GLU HG2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1084,1100, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 70 SER HA 90 LYS QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1373,1374,
&end
#
# 70 SER HB2 90 LYS HB2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=1086,1367, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 70 SER HB2 90 LYS QD 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1373,1374,
&end
#
# 70 SER HB3 90 LYS HB2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=1087,1367, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 70 SER HB3 90 LYS QD 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1087, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1373,1374,
&end
#
# 70 SER QB 71 GLU HN 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=1086,1087,
&end
#
# 70 SER QB 71 GLU HG2 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1086,1087,
&end
#
# 70 SER QB 90 LYS HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1086,1087,
&end
#
# 70 SER QB 90 LYS HB2 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=1086,1087,
&end
#
# 70 SER QB 90 LYS HB3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1368, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1086,1087,
&end
#
# 70 SER QB 90 LYS HG2 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1086,1087,
&end
#
# 70 SER QB 90 LYS HG3 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1086,1087,
&end
#
# 70 SER QB 90 LYS QD 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=1086,1087,
igr2=1373,1374,
&end
#
# 71 GLU HN 71 GLU HB2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1093,1097, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 71 GLU HN 71 GLU HB3 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1093,1098, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 71 GLU HN 71 GLU HG2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1093,1100, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 71 GLU HN 71 GLU HG3 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1093,1101, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 71 GLU HN 72 ILE HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat=1093,1108, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 71 GLU HA 71 GLU HG2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1095,1100, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 71 GLU HA 71 GLU HG3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1095,1101, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 71 GLU HA 72 ILE HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat=1095,1108, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 71 GLU HA 72 ILE HB 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat=1095,1112, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 71 GLU HA 72 ILE QD1 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1121,1122,1123,
&end
#
# 71 GLU HA 72 ILE QG1 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1118,1119,
&end
#
# 71 GLU HB2 72 ILE HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1097,1108, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 71 GLU HB3 72 ILE HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1098,1108, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 71 GLU HG2 72 ILE HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1100,1108, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 71 GLU HG3 72 ILE HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1101,1108, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 72 ILE HN 72 ILE HB 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1108,1112, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 72 ILE HN 72 ILE HG12 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat=1108,1118, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 72 ILE HN 72 ILE HG13 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat=1108,1119, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 72 ILE HN 72 ILE QD1 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1121,1122,1123,
&end
#
# 72 ILE HN 72 ILE QG1 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1118,1119,
&end
#
# 72 ILE HN 72 ILE QG2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1114,1115,1116,
&end
#
# 72 ILE HN 73 GLY HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1108,1127, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ILE HA 72 ILE QD1 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1121,1122,1123,
&end
#
# 72 ILE HA 72 ILE QG1 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1118,1119,
&end
#
# 72 ILE HA 72 ILE QG2 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1114,1115,1116,
&end
#
# 72 ILE HA 73 GLY HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat=1110,1127, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 72 ILE HA 73 GLY QA 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1129,1130,
&end
#
# 72 ILE HA 89 PHE HN 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat=1110,1343, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 72 ILE HA 89 PHE HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1110,1345, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 72 ILE HA 89 PHE HB2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1110,1347, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 72 ILE HA 89 PHE HB3 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1110,1348, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 72 ILE HA 89 PHE QD 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1351,1359,
&end
#
# 72 ILE HB 72 ILE QD1 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1121,1122,1123,
&end
#
# 72 ILE HG12 89 PHE HB3 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1118,1348, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 72 ILE HG12 89 PHE QD 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1351,1359,
&end
#
# 72 ILE HG13 89 PHE HB3 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1119,1348, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 72 ILE HG13 89 PHE QD 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1351,1359,
&end
#
# 72 ILE QD1 73 GLY HN 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1121,1122,1123,
&end
#
# 72 ILE QD1 89 PHE HB2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1121,1122,1123,
&end
#
# 72 ILE QD1 89 PHE HB3 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1121,1122,1123,
&end
#
# 72 ILE QD1 89 PHE QD 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1121,1122,1123,
igr2=1351,1359,
&end
#
# 72 ILE QD1 89 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=1121,1122,1123,
igr2=1353,1357,
&end
#
# 72 ILE QG1 89 PHE HB2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1118,1119,
&end
#
# 72 ILE QG1 89 PHE HB3 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1118,1119,
&end
#
# 72 ILE QG1 89 PHE QD 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1118,1119,
igr2=1351,1359,
&end
#
# 72 ILE QG2 72 ILE QD1 1.80 2.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1114,1115,1116,
igr2=1121,1122,1123,
&end
#
# 72 ILE QG2 72 ILE QG1 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1114,1115,1116,
igr2=1118,1119,
&end
#
# 72 ILE QG2 73 GLY HN 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1114,1115,1116,
&end
#
# 72 ILE QG2 73 GLY HA3 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1114,1115,1116,
&end
#
# 72 ILE QG2 73 GLY HA3 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1114,1115,1116,
&end
#
# 72 ILE QG2 73 GLY QA 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1114,1115,1116,
igr2=1129,1130,
&end
#
# 72 ILE QG2 87 GLY HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1114,1115,1116,
&end
#
# 72 ILE QG2 87 GLY HA3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1114,1115,1116,
&end
#
# 72 ILE QG2 87 GLY HA3 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1114,1115,1116,
&end
#
# 72 ILE QG2 88 VAL HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1327, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1114,1115,1116,
&end
#
# 72 ILE QG2 89 PHE HB2 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1114,1115,1116,
&end
#
# 72 ILE QG2 89 PHE HB3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1114,1115,1116,
&end
#
# 72 ILE QG2 89 PHE QD 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=1114,1115,1116,
igr2=1351,1359,
&end
#
# 72 ILE QG2 89 PHE QE 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1114,1115,1116,
igr2=1353,1357,
&end
#
# 73 GLY HN 74 ARG HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1127,1134, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 73 GLY HN 89 PHE HB3 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1127,1348, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 73 GLY QA 74 ARG HA 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1129,1130,
&end
#
# 73 GLY QA 75 GLU HN 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1129,1130,
&end
#
# 73 GLY QA 87 GLY HA3 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1129,1130,
&end
#
# 73 GLY QA 87 GLY HA3 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1129,1130,
&end
#
# 74 ARG HN 74 ARG HB2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1134,1138, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 74 ARG HN 74 ARG HB3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1134,1139, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 74 ARG HN 74 ARG QB 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1138,1139,
&end
#
# 74 ARG HN 74 ARG QD 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1144,1145,
&end
#
# 74 ARG HN 74 ARG QG 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1141,1142,
&end
#
# 74 ARG HN 75 GLU HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat=1134,1158, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 74 ARG HN 75 GLU QB 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1162,1163,
&end
#
# 74 ARG HA 74 ARG HN 2.50 100.00
&rst
ixpk= 0, nxpk= 0, iat=1136,1134, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 74 ARG HA 74 ARG QD 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1144,1145,
&end
#
# 74 ARG HA 74 ARG QG 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1141,1142,
&end
#
# 74 ARG HB2 74 ARG QD 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1144,1145,
&end
#
# 74 ARG HB2 74 ARG QG 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1141,1142,
&end
#
# 74 ARG HB3 74 ARG QD 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1144,1145,
&end
#
# 74 ARG HB3 74 ARG QG 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1141,1142,
&end
#
# 74 ARG QB 74 ARG QD 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1138,1139,
igr2=1144,1145,
&end
#
# 74 ARG QB 75 GLU HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1138,1139,
&end
#
# 74 ARG QD 75 GLU HN 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1144,1145,
&end
#
# 74 ARG QG 74 ARG QD 1.80 2.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr1=1141,1142,
igr2=1144,1145,
&end
#
# 75 GLU HN 75 GLU HG2 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat=1158,1165, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 75 GLU HN 75 GLU HG3 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat=1158,1166, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 75 GLU HN 75 GLU QB 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2=1162,1163,
&end
#
# 75 GLU HN 75 GLU QG 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1165,1166,
&end
#
# 75 GLU HN 76 LYS HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1158,1173, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 75 GLU HN 76 LYS HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1158,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 GLU HN 88 VAL HN 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1158,1327, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 75 GLU HN 88 VAL HB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1158,1331, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 75 GLU HA 75 GLU HG2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1160,1165, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 75 GLU HA 75 GLU HG3 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1160,1166, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 75 GLU HA 75 GLU QG 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=1165,1166,
&end
#
# 75 GLU HA 76 LYS HN 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat=1160,1173, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 75 GLU HA 76 LYS HA 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1160,1175, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 75 GLU HA 76 LYS QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1183,1184,
&end
#
# 75 GLU HA 76 LYS QG 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1180,1181,
&end
#
# 75 GLU HA 88 VAL HB 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat=1160,1331, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 75 GLU HG2 88 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1333,1334,1335,
&end
#
# 75 GLU HG3 88 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1333,1334,1335,
&end
#
# 75 GLU QB 76 LYS HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1162,1163,
&end
#
# 75 GLU QB 88 VAL QG1 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1162,1163,
igr2=1333,1334,1335,
&end
#
# 75 GLU QB 88 VAL QG2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1162,1163,
igr2=1337,1338,1339,
&end
#
# 76 LYS HN 76 LYS HG2 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1173,1180, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 76 LYS HN 76 LYS HG3 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1173,1181, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 76 LYS HN 76 LYS QB 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1177,1178,
&end
#
# 76 LYS HN 76 LYS QD 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2=1183,1184,
&end
#
# 76 LYS HN 76 LYS QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1186,1187,
&end
#
# 76 LYS HN 76 LYS QG 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1180,1181,
&end
#
# 76 LYS HA 76 LYS HG2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1175,1180, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 76 LYS HA 76 LYS HG3 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1175,1181, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 76 LYS HA 76 LYS QD 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1183,1184,
&end
#
# 76 LYS HA 76 LYS QE 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1186,1187,
&end
#
# 76 LYS HA 76 LYS QG 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1180,1181,
&end
#
# 76 LYS HA 87 GLY HA3 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat=1175,1323, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 76 LYS HA 88 VAL HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1175,1327, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 76 LYS HA 88 VAL QG1 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1333,1334,1335,
&end
#
# 76 LYS HA 88 VAL QG2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1337,1338,1339,
&end
#
# 76 LYS HB2 76 LYS QE 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1186,1187,
&end
#
# 76 LYS HB3 76 LYS QE 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1186,1187,
&end
#
# 76 LYS HG2 76 LYS QE 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1186,1187,
&end
#
# 76 LYS HG3 76 LYS QE 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1186,1187,
&end
#
# 76 LYS QB 76 LYS QE 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1177,1178,
igr2=1186,1187,
&end
#
# 76 LYS QD 76 LYS QE 1.80 2.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1=1183,1184,
igr2=1186,1187,
&end
#
# 76 LYS QD 77 SER HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1183,1184,
&end
#
# 76 LYS QD 88 VAL QG2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1183,1184,
igr2=1337,1338,1339,
&end
#
# 76 LYS QE 77 SER HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1186,1187,
&end
#
# 76 LYS QE 87 GLY HA3 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1186,1187,
&end
#
# 76 LYS QE 87 GLY HA3 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1323, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1186,1187,
&end
#
# 76 LYS QE 88 VAL QG1 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=1186,1187,
igr2=1333,1334,1335,
&end
#
# 76 LYS QE 88 VAL QG2 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=1186,1187,
igr2=1337,1338,1339,
&end
#
# 76 LYS QG 76 LYS QE 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1180,1181,
igr2=1186,1187,
&end
#
# 77 SER HN 77 SER HB2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1195,1199, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 77 SER HN 77 SER HB3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1195,1200, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 77 SER HN 88 VAL HB 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1195,1331, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 77 SER HN 88 VAL QG2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1337,1338,1339,
&end
#
# 77 SER HB2 88 VAL HB 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1199,1331, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 77 SER HB2 88 VAL QG1 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1333,1334,1335,
&end
#
# 77 SER HB2 88 VAL QG2 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1337,1338,1339,
&end
#
# 77 SER HB3 80 TRP HD1 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=1200,1243, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 77 SER HB3 80 TRP HE1 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1200,1245, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 77 SER HB3 88 VAL HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1200,1331, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 SER HB3 88 VAL QG1 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1333,1334,1335,
&end
#
# 77 SER HB3 88 VAL QG2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1337,1338,1339,
&end
#
# 78 GLN HA 78 GLN QG 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1213,1214,
&end
#
# 78 GLN QB 78 GLN QE2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1210,1211,
igr2=1218,1219,
&end
#
# 79 ASP HN 80 TRP HD1 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1223,1243, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 80 TRP HA 80 TRP HE3 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1237,1254, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 80 TRP HB2 80 TRP HD1 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat=1239,1243, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 80 TRP HB2 83 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1281,1282,1283,
&end
#
# 80 TRP HB2 85 LEU QD1 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1303,1304,1305,
&end
#
# 80 TRP HB3 80 TRP HD1 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat=1240,1243, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 80 TRP HB3 83 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1281,1282,1283,
&end
#
# 80 TRP HB3 85 LEU QD1 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1303,1304,1305,
&end
#
# 80 TRP HD1 85 LEU HB2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1243,1298, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 80 TRP HD1 85 LEU QD1 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1303,1304,1305,
&end
#
# 80 TRP HE1 85 LEU QD1 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1303,1304,1305,
&end
#
# 80 TRP HE1 88 VAL QG2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1337,1338,1339,
&end
#
# 80 TRP HE3 85 LEU QD1 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1303,1304,1305,
&end
#
# 80 TRP HH2 88 VAL QG1 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1333,1334,1335,
&end
#
# 80 TRP HZ2 88 VAL QG1 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1333,1334,1335,
&end
#
# 80 TRP HZ2 88 VAL QG2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1337,1338,1339,
&end
#
# 80 TRP QB 80 TRP HE3 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1239,1240,
&end
#
# 80 TRP QB 85 LEU QD1 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1239,1240,
igr2=1303,1304,1305,
&end
#
# 81 GLY HN 80 TRP HA 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat=1259,1237, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 82 SER HA 82 SER QB 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1270,1271,
&end
#
# 82 SER HA 83 ALA QB 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1281,1282,1283,
&end
#
# 82 SER HA 85 LEU HG 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1268,1301, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 82 SER HA 85 LEU QD1 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1303,1304,1305,
&end
#
# 82 SER QB 85 LEU HG 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1270,1271,
&end
#
# 82 SER QB 85 LEU QD1 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=1270,1271,
igr2=1303,1304,1305,
&end
#
# 82 SER QB 85 LEU QD2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1270,1271,
igr2=1307,1308,1309,
&end
#
# 83 ALA HA 84 GLY QA 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1289,1290,
&end
#
# 83 ALA HA 85 LEU QD1 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1303,1304,1305,
&end
#
# 83 ALA QB 84 GLY QA 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1281,1282,1283,
igr2=1289,1290,
&end
#
# 83 ALA QB 85 LEU HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1281,1282,1283,
&end
#
# 83 ALA QB 85 LEU QD1 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1281,1282,1283,
igr2=1303,1304,1305,
&end
#
# 84 GLY QA 85 LEU HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1294, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1=1289,1290,
&end
#
# 84 GLY QA 85 LEU HA 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1289,1290,
&end
#
# 84 GLY QA 85 LEU QD1 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1289,1290,
igr2=1303,1304,1305,
&end
#
# 84 GLY QA 85 LEU QD2 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=1289,1290,
igr2=1307,1308,1309,
&end
#
# 85 LEU HN 85 LEU HB2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1294,1298, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 85 LEU HN 85 LEU HB3 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1294,1299, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 85 LEU HN 85 LEU HG 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1294,1301, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 85 LEU HN 85 LEU QD1 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1303,1304,1305,
&end
#
# 85 LEU HN 85 LEU QD2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1307,1308,1309,
&end
#
# 85 LEU HN 86 GLY HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1294,1313, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 LEU HA 85 LEU HG 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1296,1301, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 85 LEU HA 85 LEU QD1 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1303,1304,1305,
&end
#
# 85 LEU HA 85 LEU QD2 1.80 2.83
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2=1307,1308,1309,
&end
#
# 85 LEU HA 86 GLY HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1296,1313, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 85 LEU HA 86 GLY HA3 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat=1296,1316, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 85 LEU HA 86 GLY HA3 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat=1296,1316, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 85 LEU HA 86 GLY QA 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1315,1316,
&end
#
# 85 LEU HB2 85 LEU QD1 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1303,1304,1305,
&end
#
# 85 LEU HB2 85 LEU QD2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1307,1308,1309,
&end
#
# 85 LEU HB2 86 GLY HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1298,1313, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 85 LEU HB3 85 LEU QD1 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1303,1304,1305,
&end
#
# 85 LEU HB3 85 LEU QD2 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1307,1308,1309,
&end
#
# 85 LEU HB3 86 GLY HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1299,1313, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 85 LEU HG 86 GLY HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1301,1313, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 85 LEU QD1 88 VAL QG2 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1303,1304,1305,
igr2=1337,1338,1339,
&end
#
# 85 LEU QD2 86 GLY HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1307,1308,1309,
&end
#
# 85 LEU QD2 86 GLY QA 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=1307,1308,1309,
igr2=1315,1316,
&end
#
# 86 GLY HN 87 GLY HN 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1313,1320, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 86 GLY HA3 87 GLY HN 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1316,1320, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 87 GLY HN 88 VAL HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1320,1327, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 87 GLY HA3 88 VAL HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1323,1327, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 87 GLY HA3 88 VAL HN 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1323,1327, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 88 VAL HN 88 VAL HB 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1327,1331, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 88 VAL HN 88 VAL QG1 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1333,1334,1335,
&end
#
# 88 VAL HN 88 VAL QG2 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat=1327, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1337,1338,1339,
&end
#
# 88 VAL HN 89 PHE HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat=1327,1343, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 88 VAL HA 88 VAL QG1 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1333,1334,1335,
&end
#
# 88 VAL HA 88 VAL QG2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1337,1338,1339,
&end
#
# 88 VAL HA 89 PHE HN 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1329,1343, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 88 VAL HB 89 PHE HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1331,1343, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 88 VAL QG1 89 PHE HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1333,1334,1335,
&end
#
# 88 VAL QG1 90 LYS HG3 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1333,1334,1335,
&end
#
# 88 VAL QG2 89 PHE HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1337,1338,1339,
&end
#
# 88 VAL QG2 89 PHE QD 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=1337,1338,1339,
igr2=1351,1359,
&end
#
# 89 PHE HN 89 PHE QD 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1351,1359,
&end
#
# 89 PHE HN 89 PHE QE 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1353,1357,
&end
#
# 89 PHE HN 90 LYS HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1343,1363, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 89 PHE HA 89 PHE QD 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1351,1359,
&end
#
# 89 PHE HB2 90 LYS HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1347,1363, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 89 PHE HB3 90 LYS HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1348,1363, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 89 PHE QD 90 LYS HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1351,1359,
&end
#
# 89 PHE QD 91 VAL QG1 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=1351,1359,
igr2=1391,1392,1393,
&end
#
# 89 PHE QE 91 VAL QG1 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=1353,1357,
igr2=1391,1392,1393,
&end
#
# 89 PHE QE 91 VAL QG2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1353,1357,
igr2=1395,1396,1397,
&end
#
# 90 LYS HN 90 LYS HB2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1363,1367, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 90 LYS HN 90 LYS HB3 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1363,1368, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 90 LYS HN 90 LYS HG2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1363,1370, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 90 LYS HN 90 LYS HG3 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1363,1371, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 90 LYS HN 90 LYS QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1376,1377,
&end
#
# 90 LYS HN 91 VAL HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1363,1385, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 90 LYS HA 90 LYS HG2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1365,1370, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 90 LYS HA 90 LYS HG3 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1365,1371, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 90 LYS HA 90 LYS QD 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1373,1374,
&end
#
# 90 LYS HA 90 LYS QE 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1376,1377,
&end
#
# 90 LYS HA 91 VAL HN 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1365,1385, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 90 LYS HA 91 VAL QG1 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1391,1392,1393,
&end
#
# 90 LYS HA 91 VAL QG2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1395,1396,1397,
&end
#
# 90 LYS HB2 90 LYS QD 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1373,1374,
&end
#
# 90 LYS HB2 91 VAL HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat=1367,1385, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 90 LYS HB3 90 LYS QD 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1368, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1373,1374,
&end
#
# 90 LYS HB3 90 LYS QE 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat=1368, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1376,1377,
&end
#
# 90 LYS HB3 91 VAL HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1368,1385, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 90 LYS HG2 90 LYS QE 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1376,1377,
&end
#
# 90 LYS HG2 91 VAL HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1370,1385, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 90 LYS HG3 90 LYS QE 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1376,1377,
&end
#
# 90 LYS HG3 91 VAL HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1371,1385, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 90 LYS QD 90 LYS QE 1.80 2.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr1=1373,1374,
igr2=1376,1377,
&end
#
# 90 LYS QD 91 VAL HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1373,1374,
&end
#
# 90 LYS QE 91 VAL HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1376,1377,
&end
#
# 91 VAL HN 91 VAL HB 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1385,1389, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 91 VAL HN 91 VAL QG1 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1391,1392,1393,
&end
#
# 91 VAL HN 91 VAL QG2 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1395,1396,1397,
&end
#
# 91 VAL HN 92 GLU HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1385,1401, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 91 VAL HA 91 VAL QG1 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1391,1392,1393,
&end
#
# 91 VAL HA 91 VAL QG2 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat=1387, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1395,1396,1397,
&end
#
# 91 VAL HA 92 GLU HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1387,1401, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 VAL HA 92 GLU HB2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1387,1405, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 91 VAL HB 92 GLU HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1389,1401, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 91 VAL QG1 92 GLU HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1391,1392,1393,
&end
#
# 91 VAL QG1 93 TRP HE1 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1391,1392,1393,
&end
#
# 91 VAL QG2 92 GLU HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1395,1396,1397,
&end
#
# 91 VAL QG2 93 TRP HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1395,1396,1397,
&end
#
# 91 VAL QG2 93 TRP HA 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1418, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1395,1396,1397,
&end
#
# 91 VAL QG2 93 TRP HD1 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1395,1396,1397,
&end
#
# 91 VAL QG2 93 TRP HE1 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1=1395,1396,1397,
&end
#
# 91 VAL QG2 93 TRP HZ2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1395,1396,1397,
&end
#
# 92 GLU HN 92 GLU HB2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1401,1405, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 92 GLU HN 92 GLU HB3 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1401,1406, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 92 GLU HN 92 GLU HG2 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1401,1408, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 92 GLU HN 92 GLU HG3 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1401,1409, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 92 GLU HN 92 GLU QG 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1408,1409,
&end
#
# 92 GLU HN 93 TRP HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1401,1416, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 92 GLU HA 92 GLU HG2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1403,1408, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 92 GLU HA 92 GLU HG3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1403,1409, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 92 GLU HA 92 GLU QG 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1408,1409,
&end
#
# 92 GLU HA 93 TRP HN 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat=1403,1416, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 92 GLU HA 93 TRP HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat=1403,1416, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 92 GLU HB2 94 ILE QD1 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=1453,1454,1455,
&end
#
# 92 GLU HB3 93 TRP HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1406,1416, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 92 GLU HB3 94 ILE HG13 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat=1406,1451, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 92 GLU HB3 94 ILE QD1 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1453,1454,1455,
&end
#
# 92 GLU QG 93 TRP HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1408,1409,
&end
#
# 92 GLU QG 94 ILE HG12 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1408,1409,
&end
#
# 92 GLU QG 94 ILE QD1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1408,1409,
igr2=1453,1454,1455,
&end
#
# 93 TRP HN 93 TRP HB2 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1416,1420, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 93 TRP HN 93 TRP HB3 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1416,1421, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 93 TRP HN 93 TRP HD1 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1416,1424, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 93 TRP HN 94 ILE HN 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat=1416,1440, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 93 TRP HA 93 TRP HE3 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1418,1435, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 93 TRP HA 94 ILE HN 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat=1418,1440, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 93 TRP HA 94 ILE HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1418,1440, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 93 TRP HA 94 ILE HB 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1418,1444, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 93 TRP HA 94 ILE HG13 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat=1418,1451, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 93 TRP HA 94 ILE QD1 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1453,1454,1455,
&end
#
# 93 TRP HA 94 ILE QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1446,1447,1448,
&end
#
# 93 TRP HA 95 ARG HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat=1418,1459, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 93 TRP HB2 96 LYS QE 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1496,1497,
&end
#
# 93 TRP HB3 93 TRP HZ3 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat=1421,1433, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 93 TRP HB3 96 LYS HG2 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1421,1490, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 93 TRP HB3 96 LYS HG3 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1421,1491, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 93 TRP HB3 96 LYS QD 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1493,1494,
&end
#
# 93 TRP HB3 96 LYS QE 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1496,1497,
&end
#
# 93 TRP HE3 94 ILE HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1435,1440, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 93 TRP HE3 95 ARG HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1435,1459, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 93 TRP HE3 96 LYS HA 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1435,1485, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 93 TRP HE3 96 LYS HG2 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=1435,1490, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 93 TRP HE3 96 LYS HG3 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=1435,1491, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 94 ILE HN 94 ILE HB 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1440,1444, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 94 ILE HN 94 ILE HG12 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat=1440,1450, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 94 ILE HN 94 ILE HG13 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1440,1451, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 94 ILE HN 94 ILE QD1 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1453,1454,1455,
&end
#
# 94 ILE HN 94 ILE QG2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1446,1447,1448,
&end
#
# 94 ILE HN 95 ARG HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat=1440,1459, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 94 ILE HA 94 ILE HG12 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1442,1450, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 94 ILE HA 94 ILE HG13 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat=1442,1451, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 94 ILE HA 94 ILE QD1 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1453,1454,1455,
&end
#
# 94 ILE HA 94 ILE QG2 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1446,1447,1448,
&end
#
# 94 ILE HB 94 ILE QD1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1453,1454,1455,
&end
#
# 94 ILE HB 95 ARG HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1444,1459, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 94 ILE HG12 95 ARG HN 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat=1450,1459, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 94 ILE HG13 95 ARG HN 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat=1451,1459, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 94 ILE QD1 95 ARG HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1459, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1453,1454,1455,
&end
#
# 94 ILE QD1 135 LEU QD1 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1453,1454,1455,
igr2=2125,2126,2127,
&end
#
# 94 ILE QG2 94 ILE HG12 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=1446,1447,1448,
&end
#
# 94 ILE QG2 94 ILE HG13 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr1=1446,1447,1448,
&end
#
# 94 ILE QG2 95 ARG HN 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1459, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1=1446,1447,1448,
&end
#
# 94 ILE QG2 95 ARG HA 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1446,1447,1448,
&end
#
# 94 ILE QG2 95 ARG HD2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1446,1447,1448,
&end
#
# 94 ILE QG2 95 ARG HD3 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1470, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1446,1447,1448,
&end
#
# 94 ILE QG2 95 ARG HE 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1472, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1446,1447,1448,
&end
#
# 94 ILE QG2 95 ARG QD 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=1446,1447,1448,
igr2=1469,1470,
&end
#
# 94 ILE QG2 95 ARG QG 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1446,1447,1448,
igr2=1466,1467,
&end
#
# 95 ARG HN 95 ARG HD2 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat=1459,1469, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 95 ARG HN 95 ARG HD3 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat=1459,1470, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 95 ARG HN 95 ARG HG2 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1459,1466, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 95 ARG HN 95 ARG HG3 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1459,1467, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 95 ARG HN 95 ARG QB 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1459, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1463,1464,
&end
#
# 95 ARG HN 95 ARG QD 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1459, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1469,1470,
&end
#
# 95 ARG HN 96 LYS HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat=1459,1483, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 95 ARG HN 96 LYS QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1459, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1493,1494,
&end
#
# 95 ARG HA 95 ARG HD2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1461,1469, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 95 ARG HA 95 ARG HD3 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1461,1470, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 95 ARG HA 96 LYS HN 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=1461,1483, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 95 ARG HB2 138 TRP HD1 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1463,2179, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 95 ARG HB3 138 TRP HD1 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1464,2179, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 95 ARG QB 95 ARG HE 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1472, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1463,1464,
&end
#
# 95 ARG QB 97 GLU HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1505, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1463,1464,
&end
#
# 95 ARG QB 138 TRP HD1 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2179, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1463,1464,
&end
#
# 95 ARG QG 138 TRP HD1 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2179, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1466,1467,
&end
#
# 96 LYS HN 96 LYS HB2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1483,1487, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 LYS HN 96 LYS HB3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1483,1488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 LYS HN 96 LYS QD 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1493,1494,
&end
#
# 96 LYS HN 96 LYS QE 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1496,1497,
&end
#
# 96 LYS HN 96 LYS QG 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1490,1491,
&end
#
# 96 LYS HN 97 GLU HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat=1483,1505, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 96 LYS HN 97 GLU HB2 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1483,1509, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 96 LYS HA 96 LYS HG2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1485,1490, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 96 LYS HA 96 LYS HG3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1485,1491, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 96 LYS HA 96 LYS QG 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1490,1491,
&end
#
# 96 LYS HB2 96 LYS QD 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1493,1494,
&end
#
# 96 LYS HB3 96 LYS QD 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1493,1494,
&end
#
# 96 LYS QG 96 LYS QE 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1490,1491,
igr2=1496,1497,
&end
#
# 97 GLU HN 97 GLU HB2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=1505,1509, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 97 GLU HN 97 GLU HB3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1505,1510, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 97 GLU HN 97 GLU HG2 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1505,1512, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 97 GLU HN 97 GLU HG3 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1505,1513, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 97 GLU HN 97 GLU QG 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1505, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1512,1513,
&end
#
# 97 GLU HN 98 SER HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1505,1520, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 97 GLU HN 138 TRP HD1 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1505,2179, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 97 GLU HN 138 TRP HE1 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1505,2181, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 97 GLU HA 97 GLU HG2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1507,1512, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 97 GLU HA 97 GLU HG3 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1507,1513, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 97 GLU HA 97 GLU QG 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1512,1513,
&end
#
# 97 GLU HA 98 SER HN 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1507,1520, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 97 GLU HA 141 LEU QD1 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1507, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2243,2244,2245,
&end
#
# 97 GLU HB2 98 SER HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1509,1520, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 97 GLU HB2 138 TRP HD1 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1509,2179, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 97 GLU HB2 141 LEU QD1 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1509, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=2243,2244,2245,
&end
#
# 97 GLU HB3 98 SER HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1510,1520, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 97 GLU HB3 138 TRP HD1 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1510,2179, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 97 GLU HB3 141 LEU QD1 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=2243,2244,2245,
&end
#
# 97 GLU HG2 98 SER HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1512,1520, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 97 GLU HG2 141 LEU QD1 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2243,2244,2245,
&end
#
# 97 GLU HG3 98 SER HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1513,1520, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 97 GLU HG3 141 LEU QD1 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2243,2244,2245,
&end
#
# 97 GLU QG 98 SER HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1512,1513,
&end
#
# 97 GLU QG 141 LEU QD1 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=1512,1513,
igr2=2243,2244,2245,
&end
#
# 97 GLU QG 141 LEU QD2 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1512,1513,
igr2=2247,2248,2249,
&end
#
# 98 SER HN 98 SER HB2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1520,1524, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 98 SER HN 98 SER HB3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1520,1525, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 98 SER HN 98 SER HG 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1520,1527, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 98 SER HN 98 SER QB 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat=1520, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1524,1525,
&end
#
# 98 SER HN 99 LEU HN 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat=1520,1531, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 98 SER HN 141 LEU QD1 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1520, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=2243,2244,2245,
&end
#
# 98 SER HA 99 LEU HN 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1522,1531, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 98 SER HB2 99 LEU HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1524,1531, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 SER HB3 99 LEU HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1525,1531, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 SER QB 99 LEU HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1531, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1524,1525,
&end
#
# 99 LEU HN 99 LEU HB3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1531,1536, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 99 LEU HN 99 LEU QD2 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1544,1545,1546,
&end
#
# 99 LEU HA 99 LEU QD1 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1540,1541,1542,
&end
#
# 99 LEU HA 100 PRO HD2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1533,1551, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 99 LEU HA 100 PRO HD3 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1533,1552, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 99 LEU HA 141 LEU QD1 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2243,2244,2245,
&end
#
# 99 LEU HA 141 LEU QD2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2247,2248,2249,
&end
#
# 99 LEU HB2 99 LEU QD1 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat=1535, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1540,1541,1542,
&end
#
# 99 LEU HB2 99 LEU QD2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1535, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1544,1545,1546,
&end
#
# 99 LEU HB2 138 TRP HD1 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1535,2179, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 99 LEU HB2 138 TRP HZ2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=1535,2184, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 99 LEU HB2 141 LEU QD1 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1535, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2243,2244,2245,
&end
#
# 99 LEU HB3 99 LEU QD1 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1540,1541,1542,
&end
#
# 99 LEU HB3 99 LEU QD2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1544,1545,1546,
&end
#
# 99 LEU HB3 138 TRP HZ2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=1536,2184, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 99 LEU HG 100 PRO HD2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1538,1551, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 99 LEU HG 100 PRO HD3 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1538,1552, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 99 LEU HG 103 PHE HN 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat=1538,1601, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 99 LEU HG 103 PHE HB2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1538,1605, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 99 LEU HG 103 PHE HB3 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1538,1606, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 99 LEU HG 103 PHE QB 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1605,1606,
&end
#
# 99 LEU HG 103 PHE QD 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1609,1617,
&end
#
# 99 LEU HG 141 LEU QD2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=2247,2248,2249,
&end
#
# 99 LEU QD1 100 PRO HD2 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1551, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1540,1541,1542,
&end
#
# 99 LEU QD1 100 PRO HD3 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1552, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1540,1541,1542,
&end
#
# 99 LEU QD1 100 PRO QG 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1540,1541,1542,
igr2=1554,1555,
&end
#
# 99 LEU QD1 103 PHE HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1540,1541,1542,
&end
#
# 99 LEU QD1 103 PHE HA 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1540,1541,1542,
&end
#
# 99 LEU QD1 103 PHE HB2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1605, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1540,1541,1542,
&end
#
# 99 LEU QD1 103 PHE HB3 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1540,1541,1542,
&end
#
# 99 LEU QD1 103 PHE QD 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1540,1541,1542,
igr2=1609,1617,
&end
#
# 99 LEU QD1 103 PHE 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=1540,1541,1542,
igr2=1611,1615,
&end
#
# 99 LEU QD1 137 LEU HA 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1540,1541,1542,
&end
#
# 99 LEU QD1 137 LEU HB2 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1540,1541,1542,
&end
#
# 99 LEU QD1 137 LEU HB3 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1,2157, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1540,1541,1542,
&end
#
# 99 LEU QD1 137 LEU HG 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2159, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1540,1541,1542,
&end
#
# 99 LEU QD1 137 LEU QD1 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1540,1541,1542,
igr2=2161,2162,2163,
&end
#
# 99 LEU QD1 137 LEU QD2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1540,1541,1542,
igr2=2165,2166,2167,
&end
#
# 99 LEU QD1 138 TRP HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,2171, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1540,1541,1542,
&end
#
# 99 LEU QD1 138 TRP HA 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2173, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1540,1541,1542,
&end
#
# 99 LEU QD1 138 TRP HE3 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1540,1541,1542,
&end
#
# 99 LEU QD1 138 TRP QB 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1=1540,1541,1542,
igr2=2175,2176,
&end
#
# 99 LEU QD1 141 LEU HA 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,2236, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1540,1541,1542,
&end
#
# 99 LEU QD1 141 LEU HB3 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2239, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1540,1541,1542,
&end
#
# 99 LEU QD1 141 LEU HG 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,2241, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1540,1541,1542,
&end
#
# 99 LEU QD1 141 LEU QD1 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=1540,1541,1542,
igr2=2243,2244,2245,
&end
#
# 99 LEU QD1 141 LEU QD2 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1540,1541,1542,
igr2=2247,2248,2249,
&end
#
# 99 LEU QD2 103 PHE HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1544,1545,1546,
&end
#
# 99 LEU QD2 103 PHE HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1544,1545,1546,
&end
#
# 99 LEU QD2 103 PHE HB2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1605, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1544,1545,1546,
&end
#
# 99 LEU QD2 103 PHE HB3 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1606, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1544,1545,1546,
&end
#
# 99 LEU QD2 103 PHE QB 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=1544,1545,1546,
igr2=1605,1606,
&end
#
# 99 LEU QD2 103 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=1544,1545,1546,
igr2=1609,1617,
&end
#
# 99 LEU QD2 104 ALA QB 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1544,1545,1546,
igr2=1625,1626,1627,
&end
#
# 99 LEU QD2 134 LEU QD1 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=1544,1545,1546,
igr2=2106,2107,2108,
&end
#
# 99 LEU QD2 134 LEU QD2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=1544,1545,1546,
igr2=2110,2111,2112,
&end
#
# 99 LEU QD2 135 LEU HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1544,1545,1546,
&end
#
# 99 LEU QD2 137 LEU HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1544,1545,1546,
&end
#
# 99 LEU QD2 137 LEU HA 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1544,1545,1546,
&end
#
# 99 LEU QD2 137 LEU HB2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1544,1545,1546,
&end
#
# 99 LEU QD2 137 LEU HB3 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,2157, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1544,1545,1546,
&end
#
# 99 LEU QD2 137 LEU HG 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2159, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1544,1545,1546,
&end
#
# 99 LEU QD2 137 LEU QD1 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1544,1545,1546,
igr2=2161,2162,2163,
&end
#
# 99 LEU QD2 137 LEU QD2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1544,1545,1546,
igr2=2165,2166,2167,
&end
#
# 99 LEU QD2 138 TRP HN 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2171, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1544,1545,1546,
&end
#
# 99 LEU QD2 138 TRP HA 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2173, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1544,1545,1546,
&end
#
# 99 LEU QD2 138 TRP HE3 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1544,1545,1546,
&end
#
# 99 LEU QD2 138 TRP HH2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2186, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1544,1545,1546,
&end
#
# 99 LEU QD2 138 TRP HZ2 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,2184, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1544,1545,1546,
&end
#
# 99 LEU QD2 138 TRP HZ3 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,2188, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1544,1545,1546,
&end
#
# 99 LEU QD2 141 LEU QD1 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1=1544,1545,1546,
igr2=2243,2244,2245,
&end
#
# 99 LEU QD2 141 LEU QD2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1544,1545,1546,
igr2=2247,2248,2249,
&end
#
# 100 PRO HB2 102 GLN QG 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1591,1592,
&end
#
# 100 PRO HB2 103 PHE HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1557,1601, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 100 PRO HB2 103 PHE QD 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1609,1617,
&end
#
# 100 PRO HB2 103 PHE QE 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1611,1615,
&end
#
# 100 PRO HB3 101 PHE HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1558,1564, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 100 PRO HB3 102 GLN QB 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat=1558, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1588,1589,
&end
#
# 100 PRO HB3 103 PHE HN 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat=1558,1601, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 100 PRO HD2 103 PHE QD 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1609,1617,
&end
#
# 100 PRO HD2 103 PHE QE 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1611,1615,
&end
#
# 100 PRO HD2 141 LEU QD1 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=2243,2244,2245,
&end
#
# 100 PRO HD2 141 LEU QD2 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1551, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=2247,2248,2249,
&end
#
# 100 PRO HD3 103 PHE QD 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1552, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1609,1617,
&end
#
# 100 PRO HD3 103 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1552, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1611,1615,
&end
#
# 100 PRO HD3 141 LEU QD2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat=1552, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=2247,2248,2249,
&end
#
# 100 PRO HG2 103 PHE QE 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1554, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1611,1615,
&end
#
# 100 PRO HG3 103 PHE QE 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1611,1615,
&end
#
# 100 PRO QG 103 PHE HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1554,1555,
&end
#
# 100 PRO QG 103 PHE QD 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1554,1555,
igr2=1609,1617,
&end
#
# 100 PRO QG 103 PHE QE 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1554,1555,
igr2=1611,1615,
&end
#
# 101 PHE HN 101 PHE QD 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1572,1580,
&end
#
# 101 PHE HA 101 PHE QD 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1572,1580,
&end
#
# 101 PHE HA 101 PHE QE 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1574,1578,
&end
#
# 101 PHE HA 104 ALA HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1566,1621, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 101 PHE HA 104 ALA QB 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1625,1626,1627,
&end
#
# 101 PHE QD 104 ALA QB 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1572,1580,
igr2=1625,1626,1627,
&end
#
# 101 PHE QD 118 GLN HA 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1572,1580,
&end
#
# 101 PHE QE 118 GLN HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1574,1578,
&end
#
# 101 PHE QE 118 GLN QB 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1574,1578,
igr2=1859,1860,
&end
#
# 102 GLN HN 103 PHE HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat=1584,1601, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 102 GLN HA 102 GLN QG 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1591,1592,
&end
#
# 102 GLN HA 104 ALA HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=1586,1621, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 102 GLN HA 105 HIS HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1586,1631, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 102 GLN HA 105 HIS HB2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1586,1635, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 102 GLN HA 105 HIS HB3 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1586,1636, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 102 GLN HA 105 HIS HD2 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat=1586,1644, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 102 GLN HB2 103 PHE HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=1588,1601, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 102 GLN HB2 103 PHE QD 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1588, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1609,1617,
&end
#
# 102 GLN HB3 103 PHE HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=1589,1601, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 102 GLN HB3 103 PHE QD 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1609,1617,
&end
#
# 102 GLN QB 103 PHE HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1588,1589,
&end
#
# 102 GLN QB 105 HIS HB3 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1636, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1588,1589,
&end
#
# 102 GLN QG 103 PHE HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1591,1592,
&end
#
# 102 GLN QG 103 PHE 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=1591,1592,
igr2=1605,1606,
&end
#
# 102 GLN QG 103 PHE QD 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1591,1592,
igr2=1609,1617,
&end
#
# 102 GLN QG 103 PHE QE 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1591,1592,
igr2=1611,1615,
&end
#
# 102 GLN QG 105 HIS HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1591,1592,
&end
#
# 103 PHE HN 103 PHE HB2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1601,1605, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 103 PHE HN 103 PHE HB3 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1601,1606, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 103 PHE HN 103 PHE QB 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1605,1606,
&end
#
# 103 PHE HN 103 PHE QD 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1609,1617,
&end
#
# 103 PHE HN 103 PHE QE 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1611,1615,
&end
#
# 103 PHE HN 104 ALA HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat=1601,1621, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 103 PHE HN 104 ALA QB 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1625,1626,1627,
&end
#
# 103 PHE HN 105 HIS HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1601,1631, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 103 PHE HA 103 PHE QD 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1609,1617,
&end
#
# 103 PHE HA 105 HIS HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1603,1631, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 103 PHE HA 106 HIS HN 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat=1603,1648, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 103 PHE HA 137 LEU QD1 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=2161,2162,2163,
&end
#
# 103 PHE HA 137 LEU QD2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=2165,2166,2167,
&end
#
# 103 PHE HB2 104 ALA HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1605,1621, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 103 PHE HB2 104 ALA QB 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1625,1626,1627,
&end
#
# 103 PHE HB2 137 LEU QD1 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=2161,2162,2163,
&end
#
# 103 PHE HB3 104 ALA HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1606,1621, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 103 PHE HB3 104 ALA QB 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1625,1626,1627,
&end
#
# 103 PHE HB3 137 LEU QD1 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=2161,2162,2163,
&end
#
# 103 PHE HZ 141 LEU QD2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2247,2248,2249,
&end
#
# 103 PHE QB 104 ALA HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1621, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1605,1606,
&end
#
# 103 PHE QB 104 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=1605,1606,
igr2=1625,1626,1627,
&end
#
# 103 PHE QB 137 LEU QD1 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1605,1606,
igr2=2161,2162,2163,
&end
#
# 103 PHE QB 137 LEU QD2 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=1605,1606,
igr2=2165,2166,2167,
&end
#
# 103 PHE QD 137 LEU QD1 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=1609,1617,
igr2=2161,2162,2163,
&end
#
# 103 PHE QD 137 LEU QD2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1609,1617,
igr2=2165,2166,2167,
&end
#
# 103 PHE QD 140 ARG HB2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2214, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1609,1617,
&end
#
# 103 PHE QD 140 ARG HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2215, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1609,1617,
&end
#
# 103 PHE QD 140 ARG QD 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1609,1617,
igr2=2220,2221,
&end
#
# 103 PHE QD 141 LEU QD2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1609,1617,
igr2=2247,2248,2249,
&end
#
# 103 PHE QE 137 LEU QD2 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=1611,1615,
igr2=2165,2166,2167,
&end
#
# 103 PHE QE 140 ARG HB2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,2214, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1611,1615,
&end
#
# 103 PHE QE 140 ARG HB3 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2215, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1611,1615,
&end
#
# 103 PHE QE 140 ARG QD 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1611,1615,
igr2=2220,2221,
&end
#
# 103 PHE QE 141 LEU HA 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,2236, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1611,1615,
&end
#
# 103 PHE QE 141 LEU QD2 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=1611,1615,
igr2=2247,2248,2249,
&end
#
# 104 ALA HN 104 ALA QB 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1625,1626,1627,
&end
#
# 104 ALA HN 105 HIS HN 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat=1621,1631, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 104 ALA HN 105 HIS HA 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat=1621,1633, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 104 ALA HN 105 HIS HB2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat=1621,1635, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 104 ALA HN 137 LEU QD1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1621, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=2161,2162,2163,
&end
#
# 104 ALA HA 106 HIS HN 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat=1623,1648, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 104 ALA HA 106 HIS HE1 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1623,1658, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 104 ALA HA 107 LEU HG 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat=1623,1672, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 104 ALA HA 107 LEU QD1 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1674,1675,1676,
&end
#
# 104 ALA HA 107 LEU QD2 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1678,1679,1680,
&end
#
# 104 ALA HA 107 LEU QQD 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 104 ALA HA 117 VAL QG2 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1849,1850,1851,
&end
#
# 104 ALA HA 134 LEU QD1 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=2106,2107,2108,
&end
#
# 104 ALA HA 137 LEU QD1 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=2161,2162,2163,
&end
#
# 104 ALA HA 137 LEU QD2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1623, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=2165,2166,2167,
&end
#
# 104 ALA QB 105 HIS HN 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1625,1626,1627,
&end
#
# 104 ALA QB 105 HIS HA 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1633, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1625,1626,1627,
&end
#
# 104 ALA QB 106 HIS HN 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1625,1626,1627,
&end
#
# 104 ALA QB 106 HIS HE1 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1625,1626,1627,
&end
#
# 104 ALA QB 107 LEU HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1665, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1625,1626,1627,
&end
#
# 104 ALA QB 107 LEU HB2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1625,1626,1627,
&end
#
# 104 ALA QB 107 LEU HB3 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1670, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1625,1626,1627,
&end
#
# 104 ALA QB 107 LEU HG 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1625,1626,1627,
&end
#
# 104 ALA QB 107 LEU QQD 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=1625,1626,1627,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 104 ALA QB 116 LYS QD 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1625,1626,1627,
igr2=1827,1828,
&end
#
# 104 ALA QB 117 VAL HB 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1625,1626,1627,
&end
#
# 104 ALA QB 117 VAL QG1 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1625,1626,1627,
igr2=1845,1846,1847,
&end
#
# 104 ALA QB 117 VAL QG2 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1625,1626,1627,
igr2=1849,1850,1851,
&end
#
# 104 ALA QB 118 GLN HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1625,1626,1627,
&end
#
# 104 ALA QB 118 GLN QB 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1625,1626,1627,
igr2=1859,1860,
&end
#
# 104 ALA QB 134 LEU HA 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1625,1626,1627,
&end
#
# 104 ALA QB 134 LEU HB2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2101, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1625,1626,1627,
&end
#
# 104 ALA QB 134 LEU QD1 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1625,1626,1627,
igr2=2106,2107,2108,
&end
#
# 104 ALA QB 137 LEU HB2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1625,1626,1627,
&end
#
# 104 ALA QB 137 LEU QD1 1.80 2.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1625,1626,1627,
igr2=2161,2162,2163,
&end
#
# 104 ALA QB 137 LEU QD2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1625,1626,1627,
igr2=2165,2166,2167,
&end
#
# 105 HIS HN 105 HIS HB2 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat=1631,1635, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 105 HIS HN 105 HIS HB3 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat=1631,1636, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 105 HIS HN 105 HIS HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1631,1644, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 HIS HN 106 HIS HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1631,1648, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 105 HIS HA 105 HIS HD2 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=1633,1644, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 105 HIS HA 107 LEU HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1633,1665, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 105 HIS HA 108 LEU QD2 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=1697,1698,1699,
&end
#
# 105 HIS HA 116 LYS HD2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1633,1827, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 HIS HA 116 LYS HD3 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1633,1828, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 HIS HA 116 LYS QD 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1827,1828,
&end
#
# 105 HIS HA 116 LYS QE 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1830,1831,
&end
#
# 105 HIS HA 116 LYS QG 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1824,1825,
&end
#
# 105 HIS HB2 106 HIS HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=1635,1648, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 105 HIS HB2 116 LYS QE 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1830,1831,
&end
#
# 105 HIS HB3 106 HIS HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1636,1648, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 105 HIS HB3 116 LYS QE 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1830,1831,
&end
#
# 105 HIS HD2 116 LYS QE 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat=1644, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1830,1831,
&end
#
# 105 HIS HE1 116 LYS QB 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat=1641, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1821,1822,
&end
#
# 105 HIS HE1 116 LYS QE 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=1641, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1830,1831,
&end
#
# 106 HIS HN 106 HIS HB2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1648,1652, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 106 HIS HN 106 HIS HB3 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1648,1653, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 106 HIS HN 106 HIS HE1 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1648,1658, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 106 HIS HN 106 HIS QB 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1652,1653,
&end
#
# 106 HIS HN 107 LEU HN 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=1648,1665, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 106 HIS HA 106 HIS HD2 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat=1650,1661, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 106 HIS HD2 107 LEU HG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1661,1672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 106 HIS HD2 107 LEU QD1 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat=1661, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1674,1675,1676,
&end
#
# 106 HIS HD2 107 LEU QD2 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat=1661, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1678,1679,1680,
&end
#
# 106 HIS HD2 107 LEU QQD 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1661, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 106 HIS HE1 107 LEU HG 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1658,1672, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 106 HIS HE1 107 LEU QD1 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1674,1675,1676,
&end
#
# 106 HIS HE1 107 LEU QD2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1678,1679,1680,
&end
#
# 106 HIS HE1 107 LEU QQD 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 106 HIS HE1 137 LEU QD1 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=2161,2162,2163,
&end
#
# 106 HIS HE1 137 LEU QD2 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=2165,2166,2167,
&end
#
# 106 HIS QB 106 HIS HD2 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1661, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1652,1653,
&end
#
# 107 LEU HN 107 LEU HB2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1665,1669, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 107 LEU HN 107 LEU HB3 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1665,1670, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 107 LEU HN 107 LEU HG 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1665,1672, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 107 LEU HN 107 LEU QD1 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1665, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1674,1675,1676,
&end
#
# 107 LEU HN 107 LEU QD2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1665, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1678,1679,1680,
&end
#
# 107 LEU HN 107 LEU QQD 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat=1665, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU HN 108 LEU HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1665,1684, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 107 LEU HN 108 LEU QD2 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat=1665, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1697,1698,1699,
&end
#
# 107 LEU HN 117 VAL QG2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1665, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1849,1850,1851,
&end
#
# 107 LEU HA 107 LEU HG 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1667,1672, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 107 LEU HA 107 LEU QD1 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1674,1675,1676,
&end
#
# 107 LEU HA 107 LEU QD2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1678,1679,1680,
&end
#
# 107 LEU HA 107 LEU QQD 1.80 2.86
&rst
ixpk= 0, nxpk= 0, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU HA 108 LEU HN 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat=1667,1684, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 107 LEU HA 108 LEU HG 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1667,1691, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 107 LEU HA 108 LEU QD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1697,1698,1699,
&end
#
# 107 LEU HA 117 VAL QG2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1849,1850,1851,
&end
#
# 107 LEU HA 130 VAL QG1 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=2048,2049,2050,
&end
#
# 107 LEU HB2 107 LEU QD1 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1674,1675,1676,
&end
#
# 107 LEU HB2 107 LEU QD2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1678,1679,1680,
&end
#
# 107 LEU HB2 107 LEU QQD 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU HB2 117 VAL QG1 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1845,1846,1847,
&end
#
# 107 LEU HB2 117 VAL QG2 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1849,1850,1851,
&end
#
# 107 LEU HB3 107 LEU QD1 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat=1670, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1674,1675,1676,
&end
#
# 107 LEU HB3 107 LEU QD2 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat=1670, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1678,1679,1680,
&end
#
# 107 LEU HB3 107 LEU QQD 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1670, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU HB3 108 LEU HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1670,1684, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 107 LEU HB3 117 VAL QG2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1670, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1849,1850,1851,
&end
#
# 107 LEU HB3 130 VAL HA 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1670,2044, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 107 LEU HB3 130 VAL HB 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1670,2046, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 107 LEU HB3 130 VAL QG1 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1670, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=2048,2049,2050,
&end
#
# 107 LEU HB3 134 LEU HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1670,2099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 LEU HB3 134 LEU HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1670,2101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 LEU HG 117 VAL QG2 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1849,1850,1851,
&end
#
# 107 LEU HG 137 LEU QD1 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2161,2162,2163,
&end
#
# 107 LEU QD1 130 VAL HA 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2044, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1674,1675,1676,
&end
#
# 107 LEU QD1 133 GLN HA 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2082, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1674,1675,1676,
&end
#
# 107 LEU QD1 133 GLN HB2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1674,1675,1676,
&end
#
# 107 LEU QD1 133 GLN HB3 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1674,1675,1676,
&end
#
# 107 LEU QD1 134 LEU HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2097, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1674,1675,1676,
&end
#
# 107 LEU QD1 137 LEU QD2 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1=1674,1675,1676,
igr2=2165,2166,2167,
&end
#
# 107 LEU QD2 130 VAL HA 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2044, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1678,1679,1680,
&end
#
# 107 LEU QD2 133 GLN HA 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2082, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1678,1679,1680,
&end
#
# 107 LEU QD2 133 GLN HB2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1678,1679,1680,
&end
#
# 107 LEU QD2 133 GLN HB3 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1678,1679,1680,
&end
#
# 107 LEU QD2 134 LEU HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2097, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1678,1679,1680,
&end
#
# 107 LEU QD2 137 LEU QD2 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1=1678,1679,1680,
igr2=2165,2166,2167,
&end
#
# 107 LEU QQD 108 LEU HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU QQD 117 VAL HB 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU QQD 117 VAL QG2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1674,1675,1676,1678,1679,1680,
igr2=1849,1850,1851,
&end
#
# 107 LEU QQD 130 VAL HA 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,2044, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU QQD 130 VAL HB 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU QQD 130 VAL QG1 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1674,1675,1676,1678,1679,1680,
igr2=2048,2049,2050,
&end
#
# 107 LEU QQD 133 GLN HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,2080, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU QQD 133 GLN HA 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,2082, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU QQD 133 GLN HB2 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU QQD 133 GLN HB3 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU QQD 133 GLN HG2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,2087, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU QQD 133 GLN HG3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2088, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU QQD 133 GLN QE2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1674,1675,1676,1678,1679,1680,
igr2=2092,2093,
&end
#
# 107 LEU QQD 134 LEU HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,2097, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU QQD 134 LEU HA 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU QQD 134 LEU HB2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2101, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU QQD 134 LEU HB3 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU QQD 135 LEU HN 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU QQD 137 LEU HG 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,2159, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1674,1675,1676,1678,1679,1680,
&end
#
# 107 LEU QQD 137 LEU QD1 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1674,1675,1676,1678,1679,1680,
igr2=2161,2162,2163,
&end
#
# 107 LEU QQD 137 LEU QD2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1674,1675,1676,1678,1679,1680,
igr2=2165,2166,2167,
&end
#
# 108 LEU HN 108 LEU HB2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1684,1688, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 108 LEU HN 108 LEU HG 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1684,1691, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 108 LEU HN 108 LEU QD1 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1693,1694,1695,
&end
#
# 108 LEU HN 108 LEU QD2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1697,1698,1699,
&end
#
# 108 LEU HN 109 ASN HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=1684,1703, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 108 LEU HN 117 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1845,1846,1847,
&end
#
# 108 LEU HN 117 VAL QG2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1849,1850,1851,
&end
#
# 108 LEU HN 130 VAL QG1 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=2048,2049,2050,
&end
#
# 108 LEU HA 108 LEU HG 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1686,1691, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 108 LEU HA 108 LEU QD1 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1693,1694,1695,
&end
#
# 108 LEU HA 108 LEU QD2 1.80 2.87
&rst
ixpk= 0, nxpk= 0, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2=1697,1698,1699,
&end
#
# 108 LEU HA 109 ASN HN 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=1686,1703, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 108 LEU HA 117 VAL HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1686,1839, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 108 LEU HA 117 VAL QG2 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1849,1850,1851,
&end
#
# 108 LEU HB2 108 LEU QD1 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1693,1694,1695,
&end
#
# 108 LEU HB2 108 LEU QD2 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1697,1698,1699,
&end
#
# 108 LEU HB2 109 ASN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1688,1703, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 108 LEU HB2 114 ASN HA 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=1688,1783, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 108 LEU HB2 114 ASN QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1785,1786,
&end
#
# 108 LEU HB2 130 VAL QG2 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=2052,2053,2054,
&end
#
# 108 LEU HB3 108 LEU QD2 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat=1689, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1697,1698,1699,
&end
#
# 108 LEU HB3 109 ASN HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1689,1703, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 108 LEU HB3 114 ASN HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1689,1783, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 108 LEU HB3 114 ASN QB 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1689, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1785,1786,
&end
#
# 108 LEU HB3 116 LYS HA 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat=1689,1819, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 108 LEU HG 116 LYS HA 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1691,1819, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 108 LEU QD1 109 ASN HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1693,1694,1695,
&end
#
# 108 LEU QD1 114 ASN HA 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1693,1694,1695,
&end
#
# 108 LEU QD1 114 ASN QB 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1693,1694,1695,
igr2=1785,1786,
&end
#
# 108 LEU QD1 114 ASN QD2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=1693,1694,1695,
igr2=1790,1791,
&end
#
# 108 LEU QD1 116 LYS HA 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1693,1694,1695,
&end
#
# 108 LEU QD2 109 ASN HN 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1697,1698,1699,
&end
#
# 108 LEU QD2 114 ASN HA 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1697,1698,1699,
&end
#
# 108 LEU QD2 114 ASN QB 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=1697,1698,1699,
igr2=1785,1786,
&end
#
# 108 LEU QD2 115 LYS HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1697,1698,1699,
&end
#
# 108 LEU QD2 115 LYS HA 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1797, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1697,1698,1699,
&end
#
# 108 LEU QD2 116 LYS HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1697,1698,1699,
&end
#
# 108 LEU QD2 116 LYS HA 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1=1697,1698,1699,
&end
#
# 108 LEU QD2 116 LYS QB 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1697,1698,1699,
igr2=1821,1822,
&end
#
# 108 LEU QD2 116 LYS QD 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=1697,1698,1699,
igr2=1827,1828,
&end
#
# 108 LEU QD2 116 LYS QE 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1697,1698,1699,
igr2=1830,1831,
&end
#
# 108 LEU QD2 116 LYS QG 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1697,1698,1699,
igr2=1824,1825,
&end
#
# 108 LEU QD2 117 VAL HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1839, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1697,1698,1699,
&end
#
# 109 ASN HN 109 ASN HB2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1703,1707, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 109 ASN HN 109 ASN HB3 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1703,1708, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 109 ASN HN 115 LYS HA 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1703,1797, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 109 ASN HN 116 LYS HA 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1703,1819, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 109 ASN HN 117 VAL QG2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1849,1850,1851,
&end
#
# 109 ASN HN 130 VAL QG1 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2048,2049,2050,
&end
#
# 109 ASN HN 130 VAL QG2 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=2052,2053,2054,
&end
#
# 109 ASN HA 110 PRO HD2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat=1705,1718, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 109 ASN HA 110 PRO HD3 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat=1705,1719, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 109 ASN HA 110 PRO QD 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1718,1719,
&end
#
# 109 ASN HA 110 PRO QG 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1721,1722,
&end
#
# 109 ASN HA 117 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1845,1846,1847,
&end
#
# 109 ASN HA 117 VAL QG2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1849,1850,1851,
&end
#
# 109 ASN HA 126 LEU QD1 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1986,1987,1988,
&end
#
# 109 ASN HA 130 VAL QG1 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=2048,2049,2050,
&end
#
# 109 ASN HA 130 VAL QG2 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2052,2053,2054,
&end
#
# 109 ASN HB2 117 VAL QG1 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1845,1846,1847,
&end
#
# 109 ASN HB2 117 VAL QG2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1849,1850,1851,
&end
#
# 109 ASN HB2 126 LEU QD1 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1986,1987,1988,
&end
#
# 109 ASN HB2 130 VAL HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1707,2046, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ASN HB2 130 VAL QG2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2052,2053,2054,
&end
#
# 109 ASN HB3 117 VAL QG1 1.80 5.49
&rst
ixpk= 0, nxpk= 0, iat=1708, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1845,1846,1847,
&end
#
# 109 ASN HB3 117 VAL QG2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1708, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1849,1850,1851,
&end
#
# 109 ASN HB3 126 LEU QD1 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1708, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1986,1987,1988,
&end
#
# 109 ASN HB3 130 VAL QG2 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat=1708, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=2052,2053,2054,
&end
#
# 109 ASN HD21 126 LEU HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1712,1979, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 109 ASN HD21 126 LEU QD1 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1712, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1986,1987,1988,
&end
#
# 109 ASN HD22 126 LEU HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1713,1979, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 109 ASN HD22 126 LEU QD1 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1986,1987,1988,
&end
#
# 109 ASN QD2 126 LEU HA 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1712,1713,
&end
#
# 110 PRO HA 112 ASN HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat=1727,1755, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 110 PRO HA 114 ASN HN 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1727,1781, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 110 PRO HA 114 ASN HA 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=1727,1783, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 110 PRO HA 114 ASN HB2 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1727,1785, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 110 PRO HA 114 ASN HB3 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1727,1786, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 110 PRO HD2 111 TRP HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=1718,1731, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 110 PRO HD2 130 VAL QG1 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=2048,2049,2050,
&end
#
# 110 PRO HD2 130 VAL QG2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=1718, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=2052,2053,2054,
&end
#
# 110 PRO HD3 111 TRP HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=1719,1731, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 110 PRO HD3 130 VAL QG1 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=2048,2049,2050,
&end
#
# 110 PRO HD3 130 VAL QG2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=2052,2053,2054,
&end
#
# 110 PRO QB 111 TRP HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1724,1725,
&end
#
# 110 PRO QB 111 TRP HD1 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1739, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1724,1725,
&end
#
# 110 PRO QB 114 ASN HN 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1781, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1724,1725,
&end
#
# 110 PRO QB 130 VAL QG1 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=1724,1725,
igr2=2048,2049,2050,
&end
#
# 110 PRO QD 126 LEU QD1 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1718,1719,
igr2=1986,1987,1988,
&end
#
# 110 PRO QD 127 GLU HB2 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,2000, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1718,1719,
&end
#
# 110 PRO QD 127 GLU QG 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1718,1719,
igr2=2003,2004,
&end
#
# 110 PRO QD 130 VAL HB 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1718,1719,
&end
#
# 110 PRO QD 130 VAL QG2 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=1718,1719,
igr2=2052,2053,2054,
&end
#
# 110 PRO QG 111 TRP HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1721,1722,
&end
#
# 110 PRO QG 111 TRP HD1 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1739, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1721,1722,
&end
#
# 110 PRO QG 127 GLU HB2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2000, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1721,1722,
&end
#
# 110 PRO QG 130 VAL QG1 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=1721,1722,
igr2=2048,2049,2050,
&end
#
# 110 PRO QG 130 VAL QG2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1721,1722,
igr2=2052,2053,2054,
&end
#
# 111 TRP HN 111 TRP HB2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1731,1735, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 111 TRP HN 111 TRP HB3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1731,1736, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 111 TRP HN 111 TRP QB 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1735,1736,
&end
#
# 111 TRP HN 112 ASN HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat=1731,1755, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 111 TRP HA 111 TRP HD1 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat=1733,1739, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 111 TRP HE1 127 GLU HG2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=1741,2003, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 111 TRP HE1 127 GLU HG3 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=1741,2004, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 111 TRP HE3 125 GLU HB2 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1750,1966, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 111 TRP HE3 125 GLU HB3 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1750,1967, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 111 TRP HE3 125 GLU HG2 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1750,1969, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 111 TRP HE3 125 GLU HG3 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1750,1970, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 111 TRP HE3 125 GLU QB 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1966,1967,
&end
#
# 111 TRP HE3 125 GLU QG 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1969,1970,
&end
#
# 111 TRP HE3 127 GLU HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1750,1998, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 TRP HH2 127 GLU HA 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat=1746,1998, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 111 TRP HH2 128 PRO QD 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1746, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=2012,2013,
&end
#
# 111 TRP HZ2 127 GLU QG 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=2003,2004,
&end
#
# 111 TRP HZ2 128 PRO HD2 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat=1744,2012, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 111 TRP HZ2 128 PRO HD3 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat=1744,2013, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 111 TRP HZ2 128 PRO QD 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2012,2013,
&end
#
# 111 TRP HZ3 125 GLU QB 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1966,1967,
&end
#
# 111 TRP HZ3 125 GLU QG 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1969,1970,
&end
#
# 111 TRP HZ3 126 LEU HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1748,1977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 TRP HZ3 127 GLU HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1748,1998, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 TRP QB 112 ASN HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1735,1736,
&end
#
# 111 TRP QB 112 ASN QB 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1735,1736,
igr2=1759,1760,
&end
#
# 112 ASN HN 112 ASN HB2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1755,1759, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 112 ASN HN 112 ASN HB3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1755,1760, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 112 ASN HN 112 ASN QB 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1755, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1759,1760,
&end
#
# 112 ASN HN 113 ASP HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1755,1769, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 112 ASN HN 113 ASP HA 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1755,1771, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 112 ASN HN 114 ASN HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1755,1781, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 112 ASN HA 112 ASN QD2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1757, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1764,1765,
&end
#
# 112 ASN QD2 115 LYS QD 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1764,1765,
igr2=1805,1806,
&end
#
# 112 ASN QD2 115 LYS QE 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1764,1765,
igr2=1808,1809,
&end
#
# 113 ASP HN 114 ASN HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1769,1781, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 113 ASP HA 114 ASN HA 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat=1771,1783, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 113 ASP HB2 115 LYS HG3 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1773,1803, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 113 ASP HB3 115 LYS HG3 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1774,1803, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 113 ASP QB 115 LYS HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1773,1774,
&end
#
# 113 ASP QB 115 LYS HG2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1802, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1773,1774,
&end
#
# 113 ASP QB 115 LYS HG3 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1803, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1773,1774,
&end
#
# 113 ASP QB 115 LYS QD 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1773,1774,
igr2=1805,1806,
&end
#
# 113 ASP QB 115 LYS QE 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1=1773,1774,
igr2=1808,1809,
&end
#
# 114 ASN HN 115 LYS HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1781,1795, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 114 ASN QB 114 ASN QD2 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1785,1786,
igr2=1790,1791,
&end
#
# 115 LYS HN 115 LYS HB2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat=1795,1799, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 115 LYS HN 115 LYS HB3 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat=1795,1800, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 115 LYS HN 115 LYS HG2 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1795,1802, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 115 LYS HN 115 LYS HG3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1795,1803, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 115 LYS HN 115 LYS QB 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1799,1800,
&end
#
# 115 LYS HN 115 LYS QD 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1805,1806,
&end
#
# 115 LYS HN 115 LYS QE 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1808,1809,
&end
#
# 115 LYS HA 115 LYS HG2 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1797,1802, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 115 LYS HA 115 LYS HG3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1797,1803, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 115 LYS HA 115 LYS QD 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1797, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1805,1806,
&end
#
# 115 LYS HA 115 LYS QE 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1797, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1808,1809,
&end
#
# 115 LYS HA 116 LYS HN 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat=1797,1817, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 115 LYS HA 119 ILE QD1 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1797, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1885,1886,1887,
&end
#
# 115 LYS HB2 115 LYS QD 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat=1799, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1805,1806,
&end
#
# 115 LYS HB2 115 LYS QE 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1799, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1808,1809,
&end
#
# 115 LYS HB2 119 ILE HB 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1799,1876, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 115 LYS HB2 119 ILE QD1 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1799, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1885,1886,1887,
&end
#
# 115 LYS HB2 119 ILE QG2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1799, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1878,1879,1880,
&end
#
# 115 LYS HB3 115 LYS QD 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1805,1806,
&end
#
# 115 LYS HB3 115 LYS QE 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1808,1809,
&end
#
# 115 LYS HB3 119 ILE HB 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1800,1876, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 115 LYS HB3 119 ILE QD1 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1885,1886,1887,
&end
#
# 115 LYS HB3 119 ILE QG2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1878,1879,1880,
&end
#
# 115 LYS HG2 115 LYS QE 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1802, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2=1808,1809,
&end
#
# 115 LYS HG2 119 ILE HB 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1802,1876, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 115 LYS HG2 119 ILE QD1 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat=1802, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1885,1886,1887,
&end
#
# 115 LYS HG2 119 ILE QG2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1802, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1878,1879,1880,
&end
#
# 115 LYS HG3 115 LYS QE 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1808,1809,
&end
#
# 115 LYS HG3 119 ILE QD1 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1885,1886,1887,
&end
#
# 115 LYS QB 115 LYS QE 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1799,1800,
igr2=1808,1809,
&end
#
# 115 LYS QB 119 ILE HB 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1876, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1799,1800,
&end
#
# 115 LYS QB 119 ILE QD1 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1799,1800,
igr2=1885,1886,1887,
&end
#
# 115 LYS QD 115 LYS QE 1.80 2.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=1805,1806,
igr2=1808,1809,
&end
#
# 115 LYS QD 119 ILE HB 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1876, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1805,1806,
&end
#
# 115 LYS QD 119 ILE QD1 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=1805,1806,
igr2=1885,1886,1887,
&end
#
# 115 LYS QD 119 ILE QG2 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1805,1806,
igr2=1878,1879,1880,
&end
#
# 115 LYS QE 119 ILE QD1 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=1808,1809,
igr2=1885,1886,1887,
&end
#
# 115 LYS QE 119 ILE QG2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1808,1809,
igr2=1878,1879,1880,
&end
#
# 116 LYS HN 116 LYS QB 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=1821,1822,
&end
#
# 116 LYS HN 116 LYS QD 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1827,1828,
&end
#
# 116 LYS HN 116 LYS QE 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1830,1831,
&end
#
# 116 LYS HN 119 ILE HG13 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1817,1883, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 LYS HN 119 ILE QD1 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1885,1886,1887,
&end
#
# 116 LYS HN 119 ILE QG2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1878,1879,1880,
&end
#
# 116 LYS HA 116 LYS QG 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1824,1825,
&end
#
# 116 LYS HA 117 VAL HN 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=1819,1839, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 116 LYS HA 117 VAL QG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1849,1850,1851,
&end
#
# 116 LYS HA 119 ILE HG13 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1819,1883, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 116 LYS HB2 116 LYS QE 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1821, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1830,1831,
&end
#
# 116 LYS HB2 118 GLN QG 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1821, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1862,1863,
&end
#
# 116 LYS HB2 119 ILE QD1 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1821, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1885,1886,1887,
&end
#
# 116 LYS HB3 116 LYS QE 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1830,1831,
&end
#
# 116 LYS HB3 118 GLN QG 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1862,1863,
&end
#
# 116 LYS HB3 119 ILE QD1 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1885,1886,1887,
&end
#
# 116 LYS QB 116 LYS QD 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1=1821,1822,
igr2=1827,1828,
&end
#
# 116 LYS QB 116 LYS QE 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1821,1822,
igr2=1830,1831,
&end
#
# 116 LYS QB 117 VAL 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=1821,1822,
igr2=1849,1850,1851,
&end
#
# 116 LYS QB 119 ILE HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1821,1822,
&end
#
# 116 LYS QB 119 ILE QD1 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1821,1822,
igr2=1885,1886,1887,
&end
#
# 116 LYS QD 118 GLN HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1827,1828,
&end
#
# 116 LYS QE 118 GLN HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1830,1831,
&end
#
# 116 LYS QE 119 ILE HG12 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1882, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1830,1831,
&end
#
# 116 LYS QE 119 ILE QD1 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1830,1831,
igr2=1885,1886,1887,
&end
#
# 116 LYS QG 116 LYS QE 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1=1824,1825,
igr2=1830,1831,
&end
#
# 116 LYS QG 117 VAL HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1839, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1824,1825,
&end
#
# 116 LYS QG 117 VAL HB 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1824,1825,
&end
#
# 116 LYS QG 117 VAL QG2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1824,1825,
igr2=1849,1850,1851,
&end
#
# 116 LYS QG 118 GLN HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1824,1825,
&end
#
# 116 LYS QG 118 GLN QG 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1824,1825,
igr2=1862,1863,
&end
#
# 116 LYS QG 119 ILE HG12 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1824,1825,
&end
#
# 116 LYS QG 119 ILE HG13 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1824,1825,
&end
#
# 117 VAL HN 117 VAL HB 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat=1839,1843, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 117 VAL HN 117 VAL QG1 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1839, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1845,1846,1847,
&end
#
# 117 VAL HN 117 VAL QG2 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat=1839, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1849,1850,1851,
&end
#
# 117 VAL HN 118 GLN HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1839,1855, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 117 VAL HA 117 VAL QG1 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1845,1846,1847,
&end
#
# 117 VAL HA 117 VAL QG2 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1849,1850,1851,
&end
#
# 117 VAL HA 126 LEU QD1 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1986,1987,1988,
&end
#
# 117 VAL HB 134 LEU QD1 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=2106,2107,2108,
&end
#
# 117 VAL HB 134 LEU QD2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2110,2111,2112,
&end
#
# 117 VAL QG1 118 GLN HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1845,1846,1847,
&end
#
# 117 VAL QG1 120 SER QB 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1845,1846,1847,
igr2=1895,1896,
&end
#
# 117 VAL QG1 126 LEU QD1 1.80 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1845,1846,1847,
igr2=1986,1987,1988,
&end
#
# 117 VAL QG1 134 LEU HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1845,1846,1847,
&end
#
# 117 VAL QG1 134 LEU HB2 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,2101, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1845,1846,1847,
&end
#
# 117 VAL QG1 134 LEU QD1 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1845,1846,1847,
igr2=2106,2107,2108,
&end
#
# 117 VAL QG1 134 LEU QD2 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=1845,1846,1847,
igr2=2110,2111,2112,
&end
#
# 117 VAL QG2 118 GLN HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1849,1850,1851,
&end
#
# 117 VAL QG2 118 GLN HA 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1849,1850,1851,
&end
#
# 117 VAL QG2 126 LEU QD1 1.80 2.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1849,1850,1851,
igr2=1986,1987,1988,
&end
#
# 117 VAL QG2 126 LEU QD2 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=1849,1850,1851,
igr2=1990,1991,1992,
&end
#
# 117 VAL QG2 134 LEU QD2 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1849,1850,1851,
igr2=2110,2111,2112,
&end
#
# 118 GLN HN 118 GLN QG 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1862,1863,
&end
#
# 118 GLN HN 119 ILE HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1855,1872, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 118 GLN HA 118 GLN QG 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1862,1863,
&end
#
# 118 GLN QG 119 ILE HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1862,1863,
&end
#
# 118 GLN QG 119 ILE HA 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1874, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1862,1863,
&end
#
# 118 GLN QG 119 ILE HG12 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1882, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1862,1863,
&end
#
# 118 GLN QG 119 ILE HG13 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1862,1863,
&end
#
# 118 GLN QG 119 ILE QD1 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=1862,1863,
igr2=1885,1886,1887,
&end
#
# 119 ILE HN 119 ILE HB 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1872,1876, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 119 ILE HN 119 ILE HG12 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1872,1882, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 119 ILE HN 119 ILE HG13 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1872,1883, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 119 ILE HN 119 ILE QD1 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat=1872, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1885,1886,1887,
&end
#
# 119 ILE HN 119 ILE QG2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat=1872, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1878,1879,1880,
&end
#
# 119 ILE HN 120 SER HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1872,1891, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 119 ILE HA 119 ILE HG12 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1874,1882, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 119 ILE HA 119 ILE HG13 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1874,1883, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 119 ILE HA 119 ILE QD1 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1874, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1885,1886,1887,
&end
#
# 119 ILE HA 119 ILE QG2 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat=1874, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1878,1879,1880,
&end
#
# 119 ILE HA 120 SER HN 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat=1874,1891, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 119 ILE HA 120 SER HN 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat=1874,1891, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 119 ILE HB 119 ILE QD1 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=1876, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1885,1886,1887,
&end
#
# 119 ILE QG2 119 ILE HG12 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1882, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=1878,1879,1880,
&end
#
# 119 ILE QG2 119 ILE HG13 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1878,1879,1880,
&end
#
# 119 ILE QG2 120 SER HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1891, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1878,1879,1880,
&end
#
# 119 ILE QG2 120 SER HA 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1878,1879,1880,
&end
#
# 120 SER HN 120 SER HB2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1891,1895, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 120 SER HN 120 SER HB3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1891,1896, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 120 SER HN 120 SER HG 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1891,1898, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 120 SER HN 120 SER QB 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=1891, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1895,1896,
&end
#
# 120 SER HN 121 ARG HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1891,1902, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 120 SER HA 121 ARG HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat=1893,1902, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 120 SER HA 121 ARG QB 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1906,1907,
&end
#
# 120 SER HA 121 ARG QG 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1909,1910,
&end
#
# 120 SER HA 124 GLN HG2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat=1893,1952, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 120 SER HA 124 GLN HG3 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat=1893,1953, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 120 SER HB2 121 ARG HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1895,1902, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 120 SER HB2 124 GLN HB2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1895,1949, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 120 SER HB2 124 GLN HB3 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1895,1950, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 120 SER HB3 121 ARG HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1896,1902, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 120 SER HB3 124 GLN HB2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1896,1949, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 120 SER HB3 124 GLN HB3 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1896,1950, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 120 SER QB 121 ARG HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1902, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1895,1896,
&end
#
# 120 SER QB 121 ARG QG 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1895,1896,
igr2=1909,1910,
&end
#
# 120 SER QB 124 GLN QB 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1895,1896,
igr2=1949,1950,
&end
#
# 120 SER QB 124 GLN QG 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1895,1896,
igr2=1952,1953,
&end
#
# 120 SER QB 126 LEU QD1 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=1895,1896,
igr2=1986,1987,1988,
&end
#
# 121 ARG HN 121 ARG HB2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1902,1906, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 121 ARG HN 121 ARG HB3 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1902,1907, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 121 ARG HN 121 ARG HG2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1902,1909, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 121 ARG HN 121 ARG HG3 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1902,1910, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 121 ARG HN 121 ARG QD 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1912,1913,
&end
#
# 121 ARG HN 121 ARG QG 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1909,1910,
&end
#
# 121 ARG HN 122 ASP HN 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat=1902,1926, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 121 ARG HN 124 GLN HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1902,1945, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 121 ARG HN 124 GLN HB2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1902,1949, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 121 ARG HN 124 GLN HB3 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1902,1950, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 121 ARG HN 124 GLN HG2 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1902,1952, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 121 ARG HN 124 GLN HG3 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1902,1953, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 121 ARG HN 124 GLN QB 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1949,1950,
&end
#
# 121 ARG HN 124 GLN QG 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1902, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1952,1953,
&end
#
# 121 ARG HA 121 ARG QD 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=1904, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1912,1913,
&end
#
# 121 ARG HA 121 ARG QG 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1904, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1909,1910,
&end
#
# 121 ARG HA 122 ASP HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat=1904,1926, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 121 ARG HB2 121 ARG QD 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1906, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1912,1913,
&end
#
# 121 ARG HB2 122 ASP HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1906,1926, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 121 ARG HB3 121 ARG QD 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1912,1913,
&end
#
# 121 ARG HB3 122 ASP HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1907,1926, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 121 ARG QB 121 ARG QD 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1=1906,1907,
igr2=1912,1913,
&end
#
# 121 ARG QB 122 ASP HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1906,1907,
&end
#
# 121 ARG QB 122 ASP HA 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1928, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1906,1907,
&end
#
# 121 ARG QD 122 ASP HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1912,1913,
&end
#
# 121 ARG QG 122 ASP HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1909,1910,
&end
#
# 122 ASP HN 122 ASP HB2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1926,1930, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 122 ASP HN 122 ASP HB3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1926,1931, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 122 ASP HN 123 GLY HN 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat=1926,1938, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 122 ASP HA 123 GLY HN 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat=1928,1938, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 122 ASP HA 123 GLY HA3 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=1928,1941, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 122 ASP HA 123 GLY HA3 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1928,1941, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 122 ASP HA 124 GLN HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=1928,1945, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 123 GLY HN 124 GLN HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1938,1945, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 124 GLN HN 124 GLN HB2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1945,1949, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 124 GLN HN 124 GLN HB3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1945,1950, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 124 GLN HN 124 GLN QB 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1949,1950,
&end
#
# 124 GLN HN 124 GLN QG 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1945, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1952,1953,
&end
#
# 124 GLN HN 125 GLU HN 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat=1945,1962, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 124 GLN HA 124 GLN QE2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1957,1958,
&end
#
# 124 GLN HA 124 GLN QG 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1947, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1952,1953,
&end
#
# 124 GLN HA 125 GLU HN 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat=1947,1962, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 124 GLN HE21 125 GLU HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1957,1962, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 124 GLN HE22 125 GLU HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1958,1962, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 124 GLN QB 125 GLU HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1962, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1949,1950,
&end
#
# 124 GLN QE2 125 GLU HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1962, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1957,1958,
&end
#
# 124 GLN QG 125 GLU HN 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1962, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1952,1953,
&end
#
# 125 GLU HN 125 GLU QB 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat=1962, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1966,1967,
&end
#
# 125 GLU HN 126 LEU HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1962,1977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 GLU HA 126 LEU QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1964, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1986,1987,1988,
&end
#
# 125 GLU HB2 126 LEU HN 1.80 5.38
&rst
ixpk= 0, nxpk= 0, iat=1966,1977, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 125 GLU HB3 126 LEU HN 1.80 5.38
&rst
ixpk= 0, nxpk= 0, iat=1967,1977, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 125 GLU HG2 126 LEU HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat=1969,1977, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 125 GLU HG3 126 LEU HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat=1970,1977, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 125 GLU QG 126 LEU HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1977, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1969,1970,
&end
#
# 126 LEU HN 126 LEU HG 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat=1977,1984, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 126 LEU HN 126 LEU QB 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1981,1982,
&end
#
# 126 LEU HN 126 LEU QD1 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1986,1987,1988,
&end
#
# 126 LEU HN 126 LEU QD2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1990,1991,1992,
&end
#
# 126 LEU HA 126 LEU QD1 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=1979, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1986,1987,1988,
&end
#
# 126 LEU HA 126 LEU QD2 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1979, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1990,1991,1992,
&end
#
# 126 LEU HB2 126 LEU QD2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1981, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1990,1991,1992,
&end
#
# 126 LEU HB2 127 GLU HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat=1981,1996, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 126 LEU HB2 130 VAL QG2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1981, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2052,2053,2054,
&end
#
# 126 LEU HB3 126 LEU QD2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1982, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1990,1991,1992,
&end
#
# 126 LEU HB3 127 GLU HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat=1982,1996, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 126 LEU HB3 130 VAL QG2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1982, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2052,2053,2054,
&end
#
# 126 LEU HG 130 VAL QG2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1984, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2052,2053,2054,
&end
#
# 126 LEU QB 126 LEU QD1 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1981,1982,
igr2=1986,1987,1988,
&end
#
# 126 LEU QB 126 LEU QD2 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=1981,1982,
igr2=1990,1991,1992,
&end
#
# 126 LEU QB 127 GLU HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1996, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1981,1982,
&end
#
# 126 LEU QB 130 VAL QG2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1981,1982,
igr2=2052,2053,2054,
&end
#
# 126 LEU QB 131 GLY HA3 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1981,1982,
&end
#
# 126 LEU QD1 127 GLU HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1996, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1986,1987,1988,
&end
#
# 126 LEU QD1 130 VAL HB 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1986,1987,1988,
&end
#
# 126 LEU QD1 130 VAL QG2 1.80 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1986,1987,1988,
igr2=2052,2053,2054,
&end
#
# 126 LEU QD1 131 GLY HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1986,1987,1988,
&end
#
# 126 LEU QD1 131 GLY HA3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1986,1987,1988,
&end
#
# 126 LEU QD1 131 GLY HA3 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1986,1987,1988,
&end
#
# 126 LEU QD1 134 LEU QD2 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1986,1987,1988,
igr2=2110,2111,2112,
&end
#
# 126 LEU QD2 127 GLU HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1996, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1990,1991,1992,
&end
#
# 126 LEU QD2 130 VAL QG2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1990,1991,1992,
igr2=2052,2053,2054,
&end
#
# 126 LEU QD2 131 GLY HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1990,1991,1992,
&end
#
# 126 LEU QD2 131 GLY HA3 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1990,1991,1992,
&end
#
# 126 LEU QD2 131 GLY HA3 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1990,1991,1992,
&end
#
# 126 LEU QD2 134 LEU HN 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,2097, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1990,1991,1992,
&end
#
# 126 LEU QD2 134 LEU HB2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2101, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1990,1991,1992,
&end
#
# 126 LEU QD2 134 LEU HB3 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1990,1991,1992,
&end
#
# 126 LEU QD2 134 LEU QD2 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1990,1991,1992,
igr2=2110,2111,2112,
&end
#
# 126 LEU QD2 135 LEU QD1 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1=1990,1991,1992,
igr2=2125,2126,2127,
&end
#
# 126 LEU QD2 135 LEU QD2 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=1990,1991,1992,
igr2=2129,2130,2131,
&end
#
# 127 GLU HN 127 GLU HB2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1996,2000, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 127 GLU HN 127 GLU HB3 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1996,2001, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 127 GLU HN 127 GLU HG2 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1996,2003, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 127 GLU HN 127 GLU HG3 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1996,2004, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 127 GLU HN 127 GLU QG 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat=1996, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=2003,2004,
&end
#
# 127 GLU HN 130 VAL QG1 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=1996, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2048,2049,2050,
&end
#
# 127 GLU HN 130 VAL QG2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1996, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2052,2053,2054,
&end
#
# 127 GLU HA 127 GLU QG 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=2003,2004,
&end
#
# 127 GLU HA 128 PRO HD2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=1998,2012, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 127 GLU HA 128 PRO HD3 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=1998,2013, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 127 GLU HA 130 VAL QG2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2052,2053,2054,
&end
#
# 127 GLU HB2 130 VAL QG1 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=2048,2049,2050,
&end
#
# 127 GLU HB3 128 PRO HA 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat=2001,2021, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 127 GLU HB3 128 PRO HD2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=2001,2012, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 127 GLU HB3 128 PRO HD3 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=2001,2013, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 127 GLU HB3 128 PRO QD 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat=2001, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=2012,2013,
&end
#
# 127 GLU HB3 129 GLN HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat=2001,2025, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 127 GLU HB3 130 VAL HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=2001,2042, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 127 GLU HB3 130 VAL QG1 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=2001, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=2048,2049,2050,
&end
#
# 127 GLU HB3 130 VAL QG2 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat=2001, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=2052,2053,2054,
&end
#
# 127 GLU QG 128 PRO QD 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=2003,2004,
igr2=2012,2013,
&end
#
# 127 GLU QG 129 GLN HN 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,2025, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=2003,2004,
&end
#
# 128 PRO HA 131 GLY HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=2021,2058, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 128 PRO HA 131 GLY HA3 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=2021,2061, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 128 PRO HB2 129 GLN HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=2018,2025, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 128 PRO HB2 129 GLN HA 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=2018,2027, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 128 PRO HB3 129 GLN HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=2019,2025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 128 PRO HD2 129 GLN HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=2012,2025, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 128 PRO HD3 129 GLN HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=2013,2025, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 128 PRO QD 129 GLN HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2025, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=2012,2013,
&end
#
# 128 PRO QG 129 GLN HN 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1,2025, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1=2015,2016,
&end
#
# 129 GLN HN 129 GLN HG2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=2025,2032, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 129 GLN HN 129 GLN HG3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=2025,2033, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 129 GLN HN 129 GLN QB 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=2025, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2029,2030,
&end
#
# 129 GLN HN 130 VAL HN 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat=2025,2042, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 129 GLN HN 130 VAL QG1 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=2025, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2048,2049,2050,
&end
#
# 129 GLN HN 130 VAL QG2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=2025, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2052,2053,2054,
&end
#
# 129 GLN HN 131 GLY HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=2025,2058, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 129 GLN HA 129 GLN HG2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=2027,2032, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 129 GLN HA 129 GLN HG3 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=2027,2033, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 129 GLN HA 132 GLU HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat=2027,2065, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 129 GLN HA 132 GLU HG2 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=2027,2072, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 129 GLN HA 132 GLU HG3 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=2027,2073, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 129 GLN HA 132 GLU QB 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=2027, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2069,2070,
&end
#
# 129 GLN HB2 130 VAL HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=2029,2042, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 129 GLN HB2 130 VAL QG1 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=2029, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=2048,2049,2050,
&end
#
# 129 GLN HB3 130 VAL HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=2030,2042, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 129 GLN HB3 130 VAL QG1 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=2030, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=2048,2049,2050,
&end
#
# 129 GLN HG2 130 VAL HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat=2032,2042, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 129 GLN HG3 130 VAL HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat=2033,2042, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 129 GLN QB 130 VAL HB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2046, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2029,2030,
&end
#
# 129 GLN QB 130 VAL QG1 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2029,2030,
igr2=2048,2049,2050,
&end
#
# 129 GLN QB 130 VAL QG2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=2029,2030,
igr2=2052,2053,2054,
&end
#
# 129 GLN QB 133 GLN QE2 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=2029,2030,
igr2=2092,2093,
&end
#
# 129 GLN QE2 130 VAL QG1 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=2037,2038,
igr2=2048,2049,2050,
&end
#
# 129 GLN QG 129 GLN QE2 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=2032,2033,
igr2=2037,2038,
&end
#
# 129 GLN QG 130 VAL HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2042, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2032,2033,
&end
#
# 129 GLN QG 130 VAL QG1 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=2032,2033,
igr2=2048,2049,2050,
&end
#
# 130 VAL HN 130 VAL HB 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=2042,2046, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 130 VAL HN 130 VAL QG1 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat=2042, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=2048,2049,2050,
&end
#
# 130 VAL HN 130 VAL QG2 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=2042, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=2052,2053,2054,
&end
#
# 130 VAL HN 131 GLY HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=2042,2058, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 130 VAL HA 130 VAL QG1 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=2048,2049,2050,
&end
#
# 130 VAL HA 130 VAL QG2 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=2052,2053,2054,
&end
#
# 130 VAL HA 132 GLU QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2072,2073,
&end
#
# 130 VAL HA 133 GLN HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=2044,2080, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 130 VAL HA 133 GLN HB2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=2044,2084, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 130 VAL HA 133 GLN HB3 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat=2044,2085, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 130 VAL HA 133 GLN HE21 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=2044,2092, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 130 VAL HA 133 GLN HE22 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=2044,2093, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 130 VAL HA 133 GLN HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=2044,2087, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 VAL HA 133 GLN HG3 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=2044,2088, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 130 VAL HA 133 GLN QE2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=2092,2093,
&end
#
# 130 VAL HB 131 GLY HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=2046,2058, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 130 VAL QG1 131 GLY HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=2048,2049,2050,
&end
#
# 130 VAL QG1 133 GLN HE21 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,2092, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2048,2049,2050,
&end
#
# 130 VAL QG1 133 GLN HE22 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,2093, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2048,2049,2050,
&end
#
# 130 VAL QG2 131 GLY HN 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=2052,2053,2054,
&end
#
# 130 VAL QG2 131 GLY HA3 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2052,2053,2054,
&end
#
# 130 VAL QG2 131 GLY HA3 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=2052,2053,2054,
&end
#
# 130 VAL QG2 133 GLN HN 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,2080, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=2052,2053,2054,
&end
#
# 130 VAL QG2 134 LEU QD2 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2052,2053,2054,
igr2=2110,2111,2112,
&end
#
# 131 GLY HN 132 GLU HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=2058,2065, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 131 GLY HA3 134 LEU HB3 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=2061,2102, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 131 GLY HA3 134 LEU QD2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2110,2111,2112,
&end
#
# 131 GLY HA3 135 LEU QD1 1.80 5.47
&rst
ixpk= 0, nxpk= 0, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=2125,2126,2127,
&end
#
# 131 GLY HA3 134 LEU HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=2061,2097, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 131 GLY HA3 134 LEU HB2 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat=2061,2101, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 131 GLY HA3 134 LEU HB3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=2061,2102, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 131 GLY HA3 134 LEU QD2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2110,2111,2112,
&end
#
# 132 GLU HN 132 GLU HG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=2065,2072, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 132 GLU HN 132 GLU HG3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=2065,2073, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 132 GLU HN 132 GLU QB 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=2069,2070,
&end
#
# 132 GLU HN 132 GLU QG 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=2065, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=2072,2073,
&end
#
# 132 GLU HN 133 GLN HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=2065,2080, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 132 GLU HA 132 GLU HG2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=2067,2072, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 132 GLU HA 132 GLU HG3 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=2067,2073, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 132 GLU HA 132 GLU QG 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=2072,2073,
&end
#
# 132 GLU HA 133 GLN HG3 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat=2067,2088, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 132 GLU HA 135 LEU HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=2067,2116, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 132 GLU HA 135 LEU HB2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=2067,2120, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 132 GLU HA 135 LEU HG 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=2067,2123, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 132 GLU HA 135 LEU QD1 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=2125,2126,2127,
&end
#
# 132 GLU HA 135 LEU QD2 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=2129,2130,2131,
&end
#
# 132 GLU HG2 133 GLN HG3 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=2072,2088, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 132 GLU HG3 133 GLN HG3 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=2073,2088, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 132 GLU QB 135 LEU HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2069,2070,
&end
#
# 132 GLU QB 135 LEU QD1 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=2069,2070,
igr2=2125,2126,2127,
&end
#
# 132 GLU QG 133 GLN HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2080, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2072,2073,
&end
#
# 132 GLU QG 133 GLN HG3 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2088, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=2072,2073,
&end
#
# 132 GLU QG 134 LEU HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2097, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=2072,2073,
&end
#
# 133 GLN HN 133 GLN HB2 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=2080,2084, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 133 GLN HN 133 GLN HB3 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=2080,2085, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 133 GLN HN 133 GLN HG2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=2080,2087, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 133 GLN HN 133 GLN HG3 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=2080,2088, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 133 GLN HN 134 LEU HN 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=2080,2097, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 133 GLN HN 134 LEU HB2 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat=2080,2101, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 133 GLN HN 135 LEU HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=2080,2116, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 133 GLN HA 133 GLN HG2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat=2082,2087, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 133 GLN HA 133 GLN HG3 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=2082,2088, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 133 GLN HA 136 GLN HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=2082,2135, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 133 GLN HA 136 GLN HG2 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=2082,2142, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 133 GLN HA 136 GLN HG3 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=2082,2143, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 133 GLN HA 136 GLN QB 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=2139,2140,
&end
#
# 133 GLN HA 136 GLN QG 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=2142,2143,
&end
#
# 133 GLN HB2 133 GLN QE2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=2084, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=2092,2093,
&end
#
# 133 GLN HB2 134 LEU HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=2084,2097, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 133 GLN HB2 135 LEU HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=2084,2116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 GLN HB3 134 LEU HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=2085,2097, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 133 GLN HB3 137 LEU QD1 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat=2085, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=2161,2162,2163,
&end
#
# 133 GLN HG3 134 LEU HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=2088,2097, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 134 LEU HN 134 LEU HB2 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat=2097,2101, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 134 LEU HN 134 LEU HB3 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=2097,2102, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 134 LEU HN 134 LEU HG 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=2097,2104, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 134 LEU HN 134 LEU QD1 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=2106,2107,2108,
&end
#
# 134 LEU HN 134 LEU QD2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=2110,2111,2112,
&end
#
# 134 LEU HN 135 LEU HN 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=2097,2116, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 134 LEU HN 135 LEU HG 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=2097,2123, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 134 LEU HN 137 LEU QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2161,2162,2163,
&end
#
# 134 LEU HA 134 LEU QD1 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2106,2107,2108,
&end
#
# 134 LEU HA 134 LEU QD2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2110,2111,2112,
&end
#
# 134 LEU HA 135 LEU HG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=2099,2123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 LEU HA 137 LEU HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=2099,2152, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 134 LEU HA 137 LEU HB2 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=2099,2156, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 134 LEU HA 137 LEU HG 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=2099,2159, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 134 LEU HA 137 LEU QD1 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=2161,2162,2163,
&end
#
# 134 LEU HA 137 LEU QD2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2165,2166,2167,
&end
#
# 134 LEU HB2 134 LEU QD1 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=2101, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=2106,2107,2108,
&end
#
# 134 LEU HB2 134 LEU QD2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=2101, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=2110,2111,2112,
&end
#
# 134 LEU HB2 135 LEU HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=2101,2116, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 134 LEU HB3 134 LEU QD1 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=2106,2107,2108,
&end
#
# 134 LEU HB3 134 LEU QD2 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2110,2111,2112,
&end
#
# 134 LEU HB3 135 LEU HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=2102,2116, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 134 LEU HB3 135 LEU QD1 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2125,2126,2127,
&end
#
# 134 LEU HB3 135 LEU QD2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2129,2130,2131,
&end
#
# 134 LEU HB3 137 LEU QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2161,2162,2163,
&end
#
# 134 LEU HG 135 LEU HA 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=2104,2118, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 134 LEU HG 135 LEU QD2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat=2104, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=2129,2130,2131,
&end
#
# 134 LEU HG 137 LEU HB2 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat=2104,2156, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 134 LEU HG 138 TRP HE3 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=2104,2190, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 134 LEU HG 138 TRP HZ3 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat=2104,2188, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 134 LEU QD1 135 LEU HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=2106,2107,2108,
&end
#
# 134 LEU QD1 135 LEU HA 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2106,2107,2108,
&end
#
# 134 LEU QD1 135 LEU QD2 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=2106,2107,2108,
igr2=2129,2130,2131,
&end
#
# 134 LEU QD1 137 LEU HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=2106,2107,2108,
&end
#
# 134 LEU QD1 137 LEU HB2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=2106,2107,2108,
&end
#
# 134 LEU QD1 137 LEU HG 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,2159, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=2106,2107,2108,
&end
#
# 134 LEU QD1 137 LEU QD1 1.80 2.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=2106,2107,2108,
igr2=2161,2162,2163,
&end
#
# 134 LEU QD1 137 LEU QD2 1.80 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1=2106,2107,2108,
igr2=2165,2166,2167,
&end
#
# 134 LEU QD1 138 TRP HH2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,2186, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2106,2107,2108,
&end
#
# 134 LEU QD1 138 TRP HZ3 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2188, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=2106,2107,2108,
&end
#
# 134 LEU QD2 135 LEU HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=2110,2111,2112,
&end
#
# 134 LEU QD2 135 LEU QD1 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
igr1=2110,2111,2112,
igr2=2125,2126,2127,
&end
#
# 134 LEU QD2 135 LEU QD2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2110,2111,2112,
igr2=2129,2130,2131,
&end
#
# 134 LEU QD2 138 TRP HZ3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,2188, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=2110,2111,2112,
&end
#
# 135 LEU HN 135 LEU HB2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=2116,2120, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 135 LEU HN 135 LEU HB3 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=2116,2121, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 135 LEU HN 135 LEU HG 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=2116,2123, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 135 LEU HN 135 LEU QD1 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2125,2126,2127,
&end
#
# 135 LEU HN 135 LEU QD2 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=2129,2130,2131,
&end
#
# 135 LEU HN 136 GLN HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat=2116,2135, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 135 LEU HN 137 LEU HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=2116,2152, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 135 LEU HN 137 LEU QD1 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2161,2162,2163,
&end
#
# 135 LEU HN 138 TRP HZ3 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=2116,2188, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 135 LEU HA 135 LEU HG 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=2118,2123, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 135 LEU HA 135 LEU QD1 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2125,2126,2127,
&end
#
# 135 LEU HA 135 LEU QD2 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=2129,2130,2131,
&end
#
# 135 LEU HA 137 LEU HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=2118,2152, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 135 LEU HA 138 TRP HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=2118,2171, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 135 LEU HA 138 TRP HE3 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat=2118,2190, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 135 LEU HA 138 TRP HZ3 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=2118,2188, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 135 LEU HB2 135 LEU QD1 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat=2120, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=2125,2126,2127,
&end
#
# 135 LEU HB2 135 LEU QD2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=2120, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=2129,2130,2131,
&end
#
# 135 LEU HB2 136 GLN HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=2120,2135, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 135 LEU HB3 135 LEU QD1 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat=2121, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=2125,2126,2127,
&end
#
# 135 LEU HB3 135 LEU QD2 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=2121, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=2129,2130,2131,
&end
#
# 135 LEU HB3 136 GLN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=2121,2135, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 135 LEU HB3 138 TRP HE3 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=2121,2190, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 135 LEU HG 136 GLN HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=2123,2135, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 135 LEU QD1 138 TRP HE3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2125,2126,2127,
&end
#
# 135 LEU QD2 137 LEU HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2156, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2129,2130,2131,
&end
#
# 135 LEU QD2 138 TRP HE3 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2190, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=2129,2130,2131,
&end
#
# 135 LEU QD2 138 TRP HH2 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2186, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=2129,2130,2131,
&end
#
# 135 LEU QD2 138 TRP HZ3 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2188, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2129,2130,2131,
&end
#
# 136 GLN HN 136 GLN HG2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=2135,2142, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 136 GLN HN 136 GLN HG3 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=2135,2143, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 136 GLN HN 136 GLN QB 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=2139,2140,
&end
#
# 136 GLN HN 136 GLN QG 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=2135, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2142,2143,
&end
#
# 136 GLN HN 137 LEU HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=2135,2152, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 136 GLN HA 139 GLU HG2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=2137,2202, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 136 GLN HA 139 GLU HG3 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=2137,2203, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 136 GLN HA 139 GLU QB 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=2137, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=2199,2200,
&end
#
# 136 GLN QB 137 LEU HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=2139,2140,
&end
#
# 136 GLN QE2 137 LEU HA 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=2147,2148,
&end
#
# 136 GLN QE2 137 LEU QD2 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=2147,2148,
igr2=2165,2166,2167,
&end
#
# 136 GLN QE2 140 ARG QD 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=2147,2148,
igr2=2220,2221,
&end
#
# 136 GLN QG 136 GLN QE2 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=2142,2143,
igr2=2147,2148,
&end
#
# 136 GLN QG 137 LEU QD2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=2142,2143,
igr2=2165,2166,2167,
&end
#
# 137 LEU HN 137 LEU HB2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat=2152,2156, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 137 LEU HN 137 LEU HB3 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=2152,2157, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 137 LEU HN 137 LEU HG 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat=2152,2159, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 137 LEU HN 137 LEU QD1 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2161,2162,2163,
&end
#
# 137 LEU HN 137 LEU QD2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=2165,2166,2167,
&end
#
# 137 LEU HN 138 TRP HE3 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=2152,2190, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 137 LEU HA 137 LEU HG 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=2154,2159, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 137 LEU HA 137 LEU QD1 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=2154, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=2161,2162,2163,
&end
#
# 137 LEU HA 137 LEU QD2 1.80 2.69
&rst
ixpk= 0, nxpk= 0, iat=2154, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2=2165,2166,2167,
&end
#
# 137 LEU HA 140 ARG HN 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=2154,2210, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 137 LEU HA 140 ARG HB2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=2154,2214, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 137 LEU HA 140 ARG HB3 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat=2154,2215, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 137 LEU HA 140 ARG QD 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=2154, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2220,2221,
&end
#
# 137 LEU HA 140 ARG QG 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=2154, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=2217,2218,
&end
#
# 137 LEU HB2 137 LEU QD1 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat=2156, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=2161,2162,2163,
&end
#
# 137 LEU HB2 137 LEU QD2 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat=2156, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=2165,2166,2167,
&end
#
# 137 LEU HB2 138 TRP HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=2156,2171, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 137 LEU HB3 137 LEU QD1 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=2157, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=2161,2162,2163,
&end
#
# 137 LEU HB3 137 LEU QD2 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat=2157, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=2165,2166,2167,
&end
#
# 137 LEU HB3 141 LEU QD1 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat=2157, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=2243,2244,2245,
&end
#
# 137 LEU HG 138 TRP HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=2159,2171, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 137 LEU QD2 140 ARG QD 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=2165,2166,2167,
igr2=2220,2221,
&end
#
# 137 LEU QD2 140 ARG QG 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=2165,2166,2167,
igr2=2217,2218,
&end
#
# 138 TRP HN 138 TRP HB2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=2171,2175, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 138 TRP HN 138 TRP HB3 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=2171,2176, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 138 TRP HN 138 TRP HE3 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=2171,2190, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 138 TRP HN 138 TRP HZ3 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat=2171,2188, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 138 TRP HN 138 TRP QB 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=2171, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=2175,2176,
&end
#
# 138 TRP HN 139 GLU HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=2171,2195, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 138 TRP HN 140 ARG HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=2171,2210, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 138 TRP HN 141 LEU QD1 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat=2171, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2243,2244,2245,
&end
#
# 138 TRP HA 138 TRP HD1 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=2173,2179, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 138 TRP HA 138 TRP HE3 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=2173,2190, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 138 TRP HA 139 GLU HA 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat=2173,2197, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 138 TRP HA 140 ARG HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=2173,2210, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 138 TRP HA 141 LEU HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=2173,2234, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 138 TRP HA 141 LEU HB2 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=2173,2238, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 138 TRP HA 141 LEU HG 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat=2173,2241, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 138 TRP HA 141 LEU QD1 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat=2173, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=2243,2244,2245,
&end
#
# 138 TRP HB2 139 GLU HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat=2175,2195, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 138 TRP HB2 141 LEU QD1 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=2175, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=2243,2244,2245,
&end
#
# 138 TRP HB3 139 GLU HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat=2176,2195, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 138 TRP HB3 141 LEU QD1 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=2176, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=2243,2244,2245,
&end
#
# 138 TRP HD1 141 LEU HB2 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat=2179,2238, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 138 TRP HD1 141 LEU QD1 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat=2179, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=2243,2244,2245,
&end
#
# 138 TRP HE1 141 LEU QD1 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=2181, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2243,2244,2245,
&end
#
# 138 TRP QB 139 GLU HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,2195, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=2175,2176,
&end
#
# 138 TRP QB 141 LEU QD1 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=2175,2176,
igr2=2243,2244,2245,
&end
#
# 139 GLU HN 139 GLU HB2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=2195,2199, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 139 GLU HN 139 GLU HB3 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=2195,2200, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 139 GLU HN 139 GLU HG2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=2195,2202, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 139 GLU HN 139 GLU HG3 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=2195,2203, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 139 GLU HN 139 GLU QB 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat=2195, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=2199,2200,
&end
#
# 139 GLU HN 140 ARG HN 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat=2195,2210, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 139 GLU HN 140 ARG QG 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=2195, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2217,2218,
&end
#
# 139 GLU HN 141 LEU HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=2195,2234, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 139 GLU HA 141 LEU HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=2197,2234, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 139 GLU HB2 140 ARG HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=2199,2210, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 139 GLU HB3 140 ARG HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=2200,2210, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 139 GLU QB 140 ARG HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2199,2200,
&end
#
# 139 GLU QG 140 ARG HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=2202,2203,
&end
#
# 140 ARG HN 140 ARG HB2 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=2210,2214, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 140 ARG HN 140 ARG HB3 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=2210,2215, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 140 ARG HN 140 ARG QD 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2220,2221,
&end
#
# 140 ARG HN 140 ARG QG 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=2217,2218,
&end
#
# 140 ARG HN 141 LEU HN 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=2210,2234, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 140 ARG HN 141 LEU HB2 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=2210,2238, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 140 ARG HN 141 LEU HG 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat=2210,2241, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 140 ARG HN 141 LEU QD1 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2243,2244,2245,
&end
#
# 140 ARG HN 141 LEU QD2 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=2247,2248,2249,
&end
#
# 140 ARG HA 140 ARG QD 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=2212, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=2220,2221,
&end
#
# 140 ARG HA 140 ARG QG 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat=2212, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=2217,2218,
&end
#
# 140 ARG HB2 140 ARG QD 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=2214, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=2220,2221,
&end
#
# 140 ARG HB2 140 ARG QG 1.80 2.85
&rst
ixpk= 0, nxpk= 0, iat=2214, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2=2217,2218,
&end
#
# 140 ARG HB2 141 LEU HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=2214,2234, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 140 ARG HB2 141 LEU HG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=2214,2241, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 140 ARG HB2 141 LEU QD1 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat=2214, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=2243,2244,2245,
&end
#
# 140 ARG HB2 141 LEU QD2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=2214, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2247,2248,2249,
&end
#
# 140 ARG HB3 140 ARG QD 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=2215, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=2220,2221,
&end
#
# 140 ARG HB3 140 ARG QG 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=2215, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2217,2218,
&end
#
# 140 ARG HB3 141 LEU HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=2215,2234, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 140 ARG QG 140 ARG QD 1.80 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
igr1=2217,2218,
igr2=2220,2221,
&end
#
# 141 LEU HN 141 LEU HB2 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat=2234,2238, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 141 LEU HN 141 LEU HB3 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=2234,2239, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 141 LEU HN 141 LEU HG 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat=2234,2241, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 141 LEU HN 141 LEU QD1 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=2234, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=2243,2244,2245,
&end
#
# 141 LEU HN 141 LEU QD2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=2234, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2247,2248,2249,
&end
#
# 141 LEU HA 141 LEU QD2 1.80 2.60
&rst
ixpk= 0, nxpk= 0, iat=2236, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2=2247,2248,2249,
&end
#
# 141 LEU HB2 141 LEU QD1 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat=2238, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=2243,2244,2245,
&end
#
# 141 LEU HB2 141 LEU QD2 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=2238, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=2247,2248,2249,
&end
#
# 141 LEU HB3 141 LEU QD1 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=2239, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=2243,2244,2245,
&end
#
# 141 LEU HB3 141 LEU QD2 1.80 2.86
&rst
ixpk= 0, nxpk= 0, iat=2239, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2=2247,2248,2249,
&end
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