NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
579754 |
2ru3   |
11541 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
# 9 VAL HA 10 GLY HN 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 107, 121, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
&end
#
# 9 VAL HB 10 GLY HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 109, 121, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 9 VAL HN 9 VAL QQG 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 111, 112, 113, 115, 116, 117,
&end
#
# 9 VAL QQG 10 GLY HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 111, 112, 113, 115, 116, 117,
&end
#
# 9 VAL QQG 10 GLY QA 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 111, 112, 113, 115, 116, 117,
igr2= 123, 124,
&end
#
# 10 GLY QA 11 SER HN 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 123, 124,
&end
#
# 11 SER HB2 12 ARG+ HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 132, 139, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 11 SER HB3 12 ARG+ HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 133, 139, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 12 ARG+ HA 12 ARG+ QD 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 149, 150,
&end
#
# 12 ARG+ HA 13 ASP- HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 141, 163, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 12 ARG+ HB2 12 ARG+ QD 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 149, 150,
&end
#
# 12 ARG+ HB3 12 ARG+ QD 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 149, 150,
&end
#
# 12 ARG+ QB 12 ARG+ QD 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 143, 144,
igr2= 149, 150,
&end
#
# 12 ARG+ QB 13 ASP- HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 143, 144,
&end
#
# 13 ASP- HA 14 THR HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 165, 175, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 13 ASP- HA 14 THR QG2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 181, 182, 183,
&end
#
# 13 ASP- HB2 14 THR HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 167, 175, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 13 ASP- HB3 14 THR HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 168, 175, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 13 ASP- HN 13 ASP- HB2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 163, 167, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 13 ASP- HN 13 ASP- HB3 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 163, 168, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 13 ASP- HN 14 THR QG2 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 181, 182, 183,
&end
#
# 13 ASP- QB 14 THR HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 175, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 167, 168,
&end
#
# 13 ASP- QB 14 THR QG2 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= 167, 168,
igr2= 181, 182, 183,
&end
#
# 14 THR HA 14 THR QG2 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 181, 182, 183,
&end
#
# 14 THR HA 16 PHE HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 177, 206, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 14 THR HA 17 THR HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 177, 226, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 14 THR HA 17 THR QG2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 232, 233, 234,
&end
#
# 14 THR HA 18 LYS+ HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 177, 240, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 14 THR HB 17 THR HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 179, 226, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 THR HB 18 LYS+ HB2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 179, 244, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 14 THR HB 18 LYS+ HB3 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 179, 245, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 14 THR HB 18 LYS+ HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 179, 240, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 14 THR HB 18 LYS+ QB 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 244, 245,
&end
#
# 14 THR HG1 18 LYS+ QB 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 244, 245,
&end
#
# 14 THR HN 14 THR QG2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 181, 182, 183,
&end
#
# 14 THR QG2 17 THR HN 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 226, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 181, 182, 183,
&end
#
# 14 THR QG2 18 LYS+ QB 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= 181, 182, 183,
igr2= 244, 245,
&end
#
# 15 MET HA 15 MET HG2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 191, 196, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 15 MET HA 15 MET HG3 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 191, 197, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 15 MET HA 15 MET QE 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 200, 201, 202,
&end
#
# 15 MET HA 15 MET QG 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 196, 197,
&end
#
# 15 MET HA 93 TYR QB 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 191, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1417,1418,
&end
#
# 15 MET HB2 16 PHE HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 193, 206, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 15 MET HB3 16 PHE HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 194, 206, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 15 MET HG2 16 PHE HN 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= 196, 206, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 15 MET HG2 93 TYR QD 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1421,1430,
&end
#
# 15 MET HG3 16 PHE HN 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= 197, 206, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 15 MET HG3 93 TYR QD 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1421,1430,
&end
#
# 15 MET HN 15 MET HB2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 189, 193, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 15 MET HN 15 MET HB3 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 189, 194, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 15 MET HN 15 MET HG2 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 189, 196, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 15 MET HN 15 MET HG3 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 189, 197, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 15 MET HN 15 MET QB 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 193, 194,
&end
#
# 15 MET HN 15 MET QE 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 200, 201, 202,
&end
#
# 15 MET HN 16 PHE HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 189, 206, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 15 MET QB 16 PHE HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 193, 194,
&end
#
# 15 MET QE 93 TYR HA 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 200, 201, 202,
&end
#
# 15 MET QE 93 TYR HB2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 200, 201, 202,
&end
#
# 15 MET QE 93 TYR HB3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1418, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 200, 201, 202,
&end
#
# 15 MET QE 93 TYR HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 200, 201, 202,
&end
#
# 15 MET QE 93 TYR QB 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= 200, 201, 202,
igr2=1417,1418,
&end
#
# 15 MET QE 93 TYR QD 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= 200, 201, 202,
igr2=1421,1430,
&end
#
# 15 MET QE 93 TYR QE 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 200, 201, 202,
igr2=1423,1428,
&end
#
# 15 MET QG 15 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= 196, 197,
igr2= 200, 201, 202,
&end
#
# 15 MET QG 16 PHE HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 196, 197,
&end
#
# 15 MET QG 93 TYR QB 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 196, 197,
igr2=1417,1418,
&end
#
# 15 MET QG 93 TYR QD 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 196, 197,
igr2=1421,1430,
&end
#
# 15 MET QG 93 TYR QE 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= 196, 197,
igr2=1423,1428,
&end
#
# 16 PHE HA 16 PHE QD 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 214, 222,
&end
#
# 16 PHE HA 91 LEU QD1 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1393,1394,1395,
&end
#
# 16 PHE HA 91 LEU QD2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1397,1398,1399,
&end
#
# 16 PHE HB2 17 THR QG2 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 232, 233, 234,
&end
#
# 16 PHE HB2 68 ARG+ HB2 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= 210,1040, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 16 PHE HB2 68 ARG+ HB3 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= 210,1041, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 16 PHE HB2 68 ARG+ HG2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 210,1043, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 16 PHE HB2 68 ARG+ HG3 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 210,1044, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 16 PHE HB3 17 THR QG2 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 232, 233, 234,
&end
#
# 16 PHE HB3 68 ARG+ HB2 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= 211,1040, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 16 PHE HB3 68 ARG+ HB3 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= 211,1041, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 16 PHE HB3 68 ARG+ HG2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 211,1043, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 16 PHE HB3 68 ARG+ HG3 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 211,1044, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 16 PHE HN 16 PHE HB2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 206, 210, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 16 PHE HN 16 PHE HB3 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 206, 211, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 16 PHE HN 16 PHE QB 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 210, 211,
&end
#
# 16 PHE HN 16 PHE QD 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 214, 222,
&end
#
# 16 PHE HN 16 PHE QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 216, 220,
&end
#
# 16 PHE HN 17 THR HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 206, 226, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 16 PHE HN 17 THR QG2 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 232, 233, 234,
&end
#
# 16 PHE HN 18 LYS+ HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 206, 240, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 16 PHE QB 17 THR QG2 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= 210, 211,
igr2= 232, 233, 234,
&end
#
# 16 PHE QB 68 ARG+ QB 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 210, 211,
igr2=1040,1041,
&end
#
# 16 PHE QB 68 ARG+ QD 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= 210, 211,
igr2=1046,1047,
&end
#
# 16 PHE QB 68 ARG+ QG 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 210, 211,
igr2=1043,1044,
&end
#
# 16 PHE QB 91 LEU QD1 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= 210, 211,
igr2=1393,1394,1395,
&end
#
# 16 PHE QD 68 ARG+ HD2 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 214, 222,
&end
#
# 16 PHE QD 68 ARG+ HD3 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 214, 222,
&end
#
# 16 PHE QD 68 ARG+ HG2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 214, 222,
&end
#
# 16 PHE QD 68 ARG+ HG3 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 214, 222,
&end
#
# 16 PHE QD 91 LEU QD1 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= 214, 222,
igr2=1393,1394,1395,
&end
#
# 16 PHE QD 91 LEU QD2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 214, 222,
igr2=1397,1398,1399,
&end
#
# 17 THR HA 17 THR QG2 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 232, 233, 234,
&end
#
# 17 THR HA 65 MET HB2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 228, 989, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 17 THR HA 65 MET HB3 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= 228, 990, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 17 THR HA 65 MET HG3 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= 228, 993, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 17 THR HA 65 MET HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 228, 985, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 17 THR HA 68 ARG+ HA 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 228,1038, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 17 THR HA 71 ALA QB 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1085,1086,1087,
&end
#
# 17 THR HB 64 THR HA 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 230, 973, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 17 THR HB 64 THR QG2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 977, 978, 979,
&end
#
# 17 THR HB 65 MET HB3 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= 230, 990, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 17 THR HB 65 MET HG2 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 230, 992, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 17 THR HB 65 MET HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 230, 985, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 17 THR HB 68 ARG+ HA 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 230,1038, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 17 THR HB 71 ALA QB 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=1085,1086,1087,
&end
#
# 17 THR HN 17 THR QG2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 232, 233, 234,
&end
#
# 17 THR HN 18 LYS+ HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 226, 244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 THR HN 18 LYS+ HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 226, 245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 THR HN 18 LYS+ HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 226, 240, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 17 THR HN 18 LYS+ QB 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 244, 245,
&end
#
# 17 THR HN 68 ARG+ QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1043,1044,
&end
#
# 17 THR HN 71 ALA QB 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1085,1086,1087,
&end
#
# 17 THR QG2 18 LYS+ HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 232, 233, 234,
&end
#
# 17 THR QG2 65 MET HB3 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 232, 233, 234,
&end
#
# 17 THR QG2 65 MET HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 232, 233, 234,
&end
#
# 17 THR QG2 67 ASP- HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 232, 233, 234,
&end
#
# 17 THR QG2 67 ASP- HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 232, 233, 234,
&end
#
# 17 THR QG2 67 ASP- HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 232, 233, 234,
&end
#
# 17 THR QG2 68 ARG+ HA 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 232, 233, 234,
&end
#
# 17 THR QG2 68 ARG+ HB2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 232, 233, 234,
&end
#
# 17 THR QG2 68 ARG+ HB3 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 232, 233, 234,
&end
#
# 17 THR QG2 68 ARG+ HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 232, 233, 234,
&end
#
# 17 THR QG2 68 ARG+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 232, 233, 234,
&end
#
# 17 THR QG2 68 ARG+ HG2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 232, 233, 234,
&end
#
# 17 THR QG2 68 ARG+ HG3 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 232, 233, 234,
&end
#
# 17 THR QG2 68 ARG+ HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 232, 233, 234,
&end
#
# 17 THR QG2 68 ARG+ QB 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 232, 233, 234,
igr2=1040,1041,
&end
#
# 17 THR QG2 68 ARG+ QD 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 232, 233, 234,
igr2=1046,1047,
&end
#
# 17 THR QG2 71 ALA HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 232, 233, 234,
&end
#
# 17 THR QG2 71 ALA QB 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 232, 233, 234,
igr2=1085,1086,1087,
&end
#
# 18 LYS+ HA 64 THR HA 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 242, 973, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 18 LYS+ HD2 62 PHE QD 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 943, 951,
&end
#
# 18 LYS+ HD3 62 PHE QD 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 943, 951,
&end
#
# 18 LYS+ HE2 62 PHE QD 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 943, 951,
&end
#
# 18 LYS+ HE2 92 ALA QB 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1407,1408,1409,
&end
#
# 18 LYS+ HE3 62 PHE QD 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 943, 951,
&end
#
# 18 LYS+ HE3 92 ALA QB 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1407,1408,1409,
&end
#
# 18 LYS+ HG2 19 ILE HN 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 247, 262, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 18 LYS+ HG2 92 ALA QB 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1407,1408,1409,
&end
#
# 18 LYS+ HG3 19 ILE HN 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 248, 262, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 18 LYS+ HG3 92 ALA QB 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1407,1408,1409,
&end
#
# 18 LYS+ HN 18 LYS+ HB2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 240, 244, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 18 LYS+ HN 18 LYS+ HB3 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 240, 245, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 18 LYS+ HN 18 LYS+ QD 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 250, 251,
&end
#
# 18 LYS+ QB 64 THR HA 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 244, 245,
&end
#
# 18 LYS+ QB 92 ALA QB 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 244, 245,
igr2=1407,1408,1409,
&end
#
# 18 LYS+ QD 62 PHE QD 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 250, 251,
igr2= 943, 951,
&end
#
# 18 LYS+ QE 62 PHE QD 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= 253, 254,
igr2= 943, 951,
&end
#
# 18 LYS+ QE 62 PHE QE 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 253, 254,
igr2= 945, 949,
&end
#
# 18 LYS+ QE 92 ALA QB 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= 253, 254,
igr2=1407,1408,1409,
&end
#
# 18 LYS+ QG 18 LYS+ QE 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 247, 248,
igr2= 253, 254,
&end
#
# 18 LYS+ QG 62 PHE QD 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 247, 248,
igr2= 943, 951,
&end
#
# 18 LYS+ QG 64 THR HA 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 247, 248,
&end
#
# 18 LYS+ QG 92 ALA QB 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= 247, 248,
igr2=1407,1408,1409,
&end
#
# 19 ILE HA 19 ILE HG12 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 264, 272, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 19 ILE HA 19 ILE HG13 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 264, 273, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 19 ILE HA 19 ILE QG2 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 268, 269, 270,
&end
#
# 19 ILE HA 20 PHE HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 264, 281, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 19 ILE HA 91 LEU HA 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 264,1386, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 19 ILE HA 91 LEU QD2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1397,1398,1399,
&end
#
# 19 ILE HA 92 ALA HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 264,1403, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 19 ILE HB 19 ILE QD1 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 275, 276, 277,
&end
#
# 19 ILE HB 21 VAL QG2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 311, 312, 313,
&end
#
# 19 ILE HB 63 VAL HB 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 266, 959, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 19 ILE HB 63 VAL HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 266, 955, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 19 ILE HB 63 VAL QG1 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 961, 962, 963,
&end
#
# 19 ILE HB 63 VAL QG2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 965, 966, 967,
&end
#
# 19 ILE HG12 74 ALA QB 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1134,1135,1136,
&end
#
# 19 ILE HG13 74 ALA QB 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1134,1135,1136,
&end
#
# 19 ILE HN 19 ILE HB 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 262, 266, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 19 ILE HN 19 ILE HG12 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 262, 272, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 19 ILE HN 19 ILE HG13 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 262, 273, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 19 ILE HN 19 ILE QD1 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 275, 276, 277,
&end
#
# 19 ILE HN 19 ILE QG1 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 272, 273,
&end
#
# 19 ILE HN 19 ILE QG2 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 268, 269, 270,
&end
#
# 19 ILE HN 63 VAL HB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 262, 959, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 19 ILE HN 63 VAL HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 262, 955, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 19 ILE HN 64 THR HA 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 262, 973, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 19 ILE QD1 37 PHE QD 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= 275, 276, 277,
igr2= 555, 563,
&end
#
# 19 ILE QD1 37 PHE QE 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= 275, 276, 277,
igr2= 557, 561,
&end
#
# 19 ILE QD1 63 VAL HB 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 275, 276, 277,
&end
#
# 19 ILE QD1 63 VAL QG2 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 275, 276, 277,
igr2= 965, 966, 967,
&end
#
# 19 ILE QD1 65 MET HB2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 275, 276, 277,
&end
#
# 19 ILE QD1 65 MET HB3 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 275, 276, 277,
&end
#
# 19 ILE QD1 65 MET HG3 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 275, 276, 277,
&end
#
# 19 ILE QD1 65 MET HN 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 275, 276, 277,
&end
#
# 19 ILE QD1 65 MET QE 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 275, 276, 277,
igr2= 996, 997, 998,
&end
#
# 19 ILE QD1 71 ALA HA 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1083, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 275, 276, 277,
&end
#
# 19 ILE QD1 71 ALA QB 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 275, 276, 277,
igr2=1085,1086,1087,
&end
#
# 19 ILE QD1 74 ALA HN 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 275, 276, 277,
&end
#
# 19 ILE QD1 74 ALA QB 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 275, 276, 277,
igr2=1134,1135,1136,
&end
#
# 19 ILE QG1 20 PHE HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 272, 273,
&end
#
# 19 ILE QG1 63 VAL HB 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 272, 273,
&end
#
# 19 ILE QG1 65 MET HG3 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 272, 273,
&end
#
# 19 ILE QG1 71 ALA QB 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= 272, 273,
igr2=1085,1086,1087,
&end
#
# 19 ILE QG1 74 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= 272, 273,
igr2=1134,1135,1136,
&end
#
# 19 ILE QG1 91 LEU HA 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 272, 273,
&end
#
# 19 ILE QG1 91 LEU QD2 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= 272, 273,
igr2=1397,1398,1399,
&end
#
# 19 ILE QG2 20 PHE HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 281, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 268, 269, 270,
&end
#
# 19 ILE QG2 20 PHE QB 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 268, 269, 270,
igr2= 285, 286,
&end
#
# 19 ILE QG2 37 PHE QE 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 268, 269, 270,
igr2= 557, 561,
&end
#
# 19 ILE QG2 63 VAL HB 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 268, 269, 270,
&end
#
# 19 ILE QG2 63 VAL HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 268, 269, 270,
&end
#
# 19 ILE QG2 89 VAL HA 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 268, 269, 270,
&end
#
# 19 ILE QG2 89 VAL HB 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 268, 269, 270,
&end
#
# 19 ILE QG2 90 ASN HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 268, 269, 270,
&end
#
# 19 ILE QG2 90 ASN QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 268, 269, 270,
igr2=1374,1375,
&end
#
# 19 ILE QG2 91 LEU HA 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 268, 269, 270,
&end
#
# 19 ILE QG2 92 ALA HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 268, 269, 270,
&end
#
# 19 ILE QG2 92 ALA QB 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= 268, 269, 270,
igr2=1407,1408,1409,
&end
#
# 20 PHE HA 20 PHE HD1 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 283, 289, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 20 PHE HA 20 PHE QE 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 291, 295,
&end
#
# 20 PHE HA 21 VAL HB 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 283, 305, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 20 PHE HA 21 VAL HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 283, 301, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 20 PHE HA 21 VAL QG2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 311, 312, 313,
&end
#
# 20 PHE HA 62 PHE HA 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 283, 937, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 20 PHE HA 62 PHE QD 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 943, 951,
&end
#
# 20 PHE HA 62 PHE QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 945, 949,
&end
#
# 20 PHE HA 63 VAL HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 283, 955, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 20 PHE HA 92 ALA QB 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1407,1408,1409,
&end
#
# 20 PHE HB2 92 ALA HA 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 285,1405, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 20 PHE HB2 92 ALA QB 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1407,1408,1409,
&end
#
# 20 PHE HB3 92 ALA HA 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 286,1405, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 20 PHE HB3 92 ALA QB 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1407,1408,1409,
&end
#
# 20 PHE HD1 21 VAL HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 289, 301, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 20 PHE HD1 92 ALA HA 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= 289,1405, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 20 PHE HD2 92 ALA HA 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 297,1405, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 20 PHE HN 20 PHE HD1 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 281, 289, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 20 PHE HN 90 ASN HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 281,1370, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 20 PHE HN 91 LEU HA 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 281,1386, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 20 PHE HN 92 ALA HA 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 281,1405, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 20 PHE HN 92 ALA HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 281,1403, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 20 PHE HN 92 ALA QB 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1407,1408,1409,
&end
#
# 20 PHE HZ 22 GLY HA2 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 293, 319, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 20 PHE HZ 60 TYR HB2 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 293, 911, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 20 PHE HZ 60 TYR HB3 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 293, 912, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 20 PHE HZ 60 TYR QB 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 911, 912,
&end
#
# 20 PHE HZ 60 TYR QD 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 293, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 915, 924,
&end
#
# 20 PHE QB 90 ASN HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 285, 286,
&end
#
# 20 PHE QB 90 ASN QD2 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= 285, 286,
igr2=1379,1380,
&end
#
# 20 PHE QB 92 ALA QB 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 285, 286,
igr2=1407,1408,1409,
&end
#
# 20 PHE QE 20 PHE HD1 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 291, 295,
&end
#
# 20 PHE QE 60 TYR QD 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 291, 295,
igr2= 915, 924,
&end
#
# 21 VAL HA 21 VAL QG1 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 307, 308, 309,
&end
#
# 21 VAL HA 21 VAL QG2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 311, 312, 313,
&end
#
# 21 VAL HA 22 GLY HN 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 303, 317, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 21 VAL HA 89 VAL HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 303,1356, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 21 VAL HA 89 VAL QG1 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1360,1361,1362,
&end
#
# 21 VAL HA 89 VAL QG2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1364,1365,1366,
&end
#
# 21 VAL HA 90 ASN HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 303,1370, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 21 VAL HB 24 LEU QD1 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 340, 341, 342,
&end
#
# 21 VAL HB 33 LEU HG 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 305, 482, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 21 VAL HB 33 LEU QD2 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 488, 489, 490,
&end
#
# 21 VAL HB 61 GLY HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 305, 928, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 21 VAL HB 62 PHE HA 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 305, 937, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 21 VAL HB 63 VAL QG2 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 965, 966, 967,
&end
#
# 21 VAL HN 21 VAL HB 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 301, 305, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 21 VAL HN 21 VAL QG1 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 307, 308, 309,
&end
#
# 21 VAL HN 21 VAL QG2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 311, 312, 313,
&end
#
# 21 VAL HN 22 GLY HN 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 301, 317, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 21 VAL HN 61 GLY HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 301, 928, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 21 VAL HN 62 PHE HA 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 301, 937, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 21 VAL HN 63 VAL HN 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 301, 955, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 21 VAL QG1 22 GLY HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 307, 308, 309,
&end
#
# 21 VAL QG1 33 LEU HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 307, 308, 309,
&end
#
# 21 VAL QG1 37 PHE QD 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= 307, 308, 309,
igr2= 555, 563,
&end
#
# 21 VAL QG1 37 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= 307, 308, 309,
igr2= 557, 561,
&end
#
# 21 VAL QG1 61 GLY HA3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 307, 308, 309,
&end
#
# 21 VAL QG1 80 PRO HG3 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 307, 308, 309,
&end
#
# 21 VAL QG1 82 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= 307, 308, 309,
igr2=1259,1260,1261,
&end
#
# 21 VAL QG1 87 ALA QB 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= 307, 308, 309,
igr2=1334,1335,1336,
&end
#
# 21 VAL QG1 88 ASN HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 307, 308, 309,
&end
#
# 21 VAL QG1 89 VAL HA 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 307, 308, 309,
&end
#
# 21 VAL QG1 89 VAL HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 307, 308, 309,
&end
#
# 21 VAL QG1 89 VAL QG2 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= 307, 308, 309,
igr2=1364,1365,1366,
&end
#
# 21 VAL QG2 37 PHE HZ 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 311, 312, 313,
&end
#
# 21 VAL QG2 37 PHE QE 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 311, 312, 313,
igr2= 557, 561,
&end
#
# 21 VAL QG2 62 PHE HA 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 311, 312, 313,
&end
#
# 21 VAL QG2 63 VAL HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 311, 312, 313,
&end
#
# 21 VAL QG2 63 VAL QG2 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 311, 312, 313,
igr2= 965, 966, 967,
&end
#
# 21 VAL QG2 74 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 311, 312, 313,
igr2=1134,1135,1136,
&end
#
# 22 GLY HA2 60 TYR HA 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 319, 909, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 22 GLY HA2 60 TYR HB2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 319, 911, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 22 GLY HA2 60 TYR HB3 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 319, 912, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 22 GLY HA2 60 TYR HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 319, 907, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 22 GLY HA2 60 TYR QB 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 911, 912,
&end
#
# 22 GLY HA2 60 TYR QD 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 915, 924,
&end
#
# 22 GLY HA3 24 LEU HN 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= 320, 331, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 22 GLY HA3 60 TYR HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 320, 909, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 22 GLY HA3 60 TYR HB2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 320, 911, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 22 GLY HA3 60 TYR HB3 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 320, 912, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 22 GLY HA3 60 TYR HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 320, 907, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 GLY HA3 60 TYR QB 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 911, 912,
&end
#
# 22 GLY HA3 60 TYR QD 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 915, 924,
&end
#
# 22 GLY HN 60 TYR QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 915, 924,
&end
#
# 22 GLY HN 88 ASN HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 317,1340, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 22 GLY HN 88 ASN QB 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1344,1345,
&end
#
# 22 GLY HN 89 VAL HA 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 317,1356, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 22 GLY HN 89 VAL QG2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1364,1365,1366,
&end
#
# 23 GLY HA2 87 ALA QB 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1334,1335,1336,
&end
#
# 23 GLY HA3 87 ALA QB 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1334,1335,1336,
&end
#
# 23 GLY HN 24 LEU HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 324, 331, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 23 GLY HN 60 TYR HB2 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 324, 911, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 23 GLY HN 60 TYR HB3 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 324, 912, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 23 GLY HN 60 TYR HN 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= 324, 907, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 23 GLY QA 87 ALA HA 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 326, 327,
&end
#
# 23 GLY QA 87 ALA QB 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= 326, 327,
igr2=1334,1335,1336,
&end
#
# 23 GLY QA 88 ASN HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 326, 327,
&end
#
# 24 LEU HA 24 LEU QD1 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 340, 341, 342,
&end
#
# 24 LEU HA 24 LEU QD2 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 344, 345, 346,
&end
#
# 24 LEU HA 25 PRO HG2 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 333, 354, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 24 LEU HA 25 PRO HG3 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 333, 355, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 24 LEU HA 25 PRO QB 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 357, 358,
&end
#
# 24 LEU HA 25 PRO QD 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 351, 352,
&end
#
# 24 LEU HA 25 PRO QG 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 354, 355,
&end
#
# 24 LEU HA 82 ILE QD1 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1259,1260,1261,
&end
#
# 24 LEU HA 82 ILE QG2 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1252,1253,1254,
&end
#
# 24 LEU HA 85 ARG+ QB 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1288,1289,
&end
#
# 24 LEU HA 87 ALA QB 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1334,1335,1336,
&end
#
# 24 LEU HB2 24 LEU QD2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 344, 345, 346,
&end
#
# 24 LEU HB2 25 PRO QD 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 351, 352,
&end
#
# 24 LEU HB3 24 LEU QD2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 344, 345, 346,
&end
#
# 24 LEU HB3 25 PRO QD 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 351, 352,
&end
#
# 24 LEU HG 60 TYR HA 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 338, 909, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 24 LEU HN 24 LEU HG 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 331, 338, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 24 LEU HN 24 LEU QB 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 335, 336,
&end
#
# 24 LEU HN 24 LEU QD1 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 340, 341, 342,
&end
#
# 24 LEU HN 24 LEU QD2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 344, 345, 346,
&end
#
# 24 LEU QB 24 LEU QD1 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 335, 336,
igr2= 340, 341, 342,
&end
#
# 24 LEU QB 25 PRO QD 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 335, 336,
igr2= 351, 352,
&end
#
# 24 LEU QB 28 THR HB 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 335, 336,
&end
#
# 24 LEU QB 59 GLY QA 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 335, 336,
igr2= 902, 903,
&end
#
# 24 LEU QD1 25 PRO QD 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= 340, 341, 342,
igr2= 351, 352,
&end
#
# 24 LEU QD1 28 THR HB 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 340, 341, 342,
&end
#
# 24 LEU QD1 28 THR QG2 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= 340, 341, 342,
igr2= 408, 409, 410,
&end
#
# 24 LEU QD1 60 TYR HA 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 340, 341, 342,
&end
#
# 24 LEU QD1 60 TYR HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 340, 341, 342,
&end
#
# 24 LEU QD1 61 GLY HA3 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 340, 341, 342,
&end
#
# 24 LEU QD1 61 GLY HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 340, 341, 342,
&end
#
# 24 LEU QD1 87 ALA QB 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= 340, 341, 342,
igr2=1334,1335,1336,
&end
#
# 24 LEU QD2 25 PRO 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= 344, 345, 346,
igr2= 351, 352,
&end
#
# 24 LEU QD2 61 GLY HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 344, 345, 346,
&end
#
# 24 LEU QD2 82 ILE HB 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr1= 344, 345, 346,
&end
#
# 24 LEU QD2 82 ILE QD1 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 344, 345, 346,
igr2=1259,1260,1261,
&end
#
# 24 LEU QD2 87 ALA HA 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 344, 345, 346,
&end
#
# 24 LEU QD2 87 ALA QB 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= 344, 345, 346,
igr2=1334,1335,1336,
&end
#
# 24 LEU QD2 88 ASN HN 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 344, 345, 346,
&end
#
# 25 PRO HA 25 PRO QG 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 354, 355,
&end
#
# 25 PRO HA 26 TYR QD 4.50 100.0
&rst
ixpk= 0, nxpk= 0, iat= 360, -1, r1= 4.00, r2= 4.50, r3=112.25, r4=112.75,
igr2= 372, 381,
&end
#
# 25 PRO HB2 26 TYR HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 357, 364, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 25 PRO HB2 27 HIS HE1 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 357, 394, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 25 PRO HB3 26 TYR HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 358, 364, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 25 PRO HB3 27 HIS HE1 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 358, 394, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 25 PRO HG2 27 HIS HE1 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 354, 394, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 25 PRO HG2 83 ASP- HB2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 354,1269, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 25 PRO HG3 27 HIS HE1 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 355, 394, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 25 PRO HG3 83 ASP- HB2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 355,1269, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 25 PRO QB 28 THR HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 357, 358,
&end
#
# 25 PRO QB 83 ASP- HB3 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 357, 358,
&end
#
# 25 PRO QD 25 PRO HA 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 351, 352,
&end
#
# 25 PRO QD 25 PRO HG2 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 351, 352,
&end
#
# 25 PRO QD 25 PRO HG3 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 355, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 351, 352,
&end
#
# 25 PRO QD 25 PRO QB 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 351, 352,
igr2= 357, 358,
&end
#
# 25 PRO QD 25 PRO QG 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 351, 352,
igr2= 354, 355,
&end
#
# 25 PRO QD 27 HIS HE1 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 351, 352,
&end
#
# 25 PRO QD 82 ILE QG2 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 351, 352,
igr2=1252,1253,1254,
&end
#
# 25 PRO QD 83 ASP- HB3 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 351, 352,
&end
#
# 25 PRO QD 85 ARG+ HB2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 351, 352,
&end
#
# 25 PRO QD 85 ARG+ HB3 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 351, 352,
&end
#
# 25 PRO QD 85 ARG+ HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 351, 352,
&end
#
# 25 PRO QD 85 ARG+ QB 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= 351, 352,
igr2=1288,1289,
&end
#
# 25 PRO QG 27 HIS HD2 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 354, 355,
&end
#
# 25 PRO QG 27 HIS HE1 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 354, 355,
&end
#
# 25 PRO QG 28 THR HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 354, 355,
&end
#
# 25 PRO QG 82 ILE QG2 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= 354, 355,
igr2=1252,1253,1254,
&end
#
# 25 PRO QG 83 ASP- HA 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 354, 355,
&end
#
# 25 PRO QG 83 ASP- HB3 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 354, 355,
&end
#
# 25 PRO QG 85 ARG+ 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= 354, 355,
igr2=1288,1289,
&end
#
# 26 TYR HA 26 TYR QD 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 372, 381,
&end
#
# 26 TYR HA 26 TYR QE 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 374, 379,
&end
#
# 26 TYR HA 59 GLY HN 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 366, 900, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 26 TYR HN 26 TYR HB2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 364, 368, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 26 TYR HN 26 TYR HB3 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 364, 369, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 26 TYR HN 26 TYR QB 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 368, 369,
&end
#
# 26 TYR HN 26 TYR QD 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 372, 381,
&end
#
# 26 TYR HN 27 HIS HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 364, 385, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 26 TYR QB 57 SER QB 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 368, 369,
igr2= 869, 870,
&end
#
# 26 TYR QD 57 SER HB2 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 372, 381,
&end
#
# 26 TYR QD 57 SER HB3 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 372, 381,
&end
#
# 26 TYR QD 57 SER QB 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 372, 381,
igr2= 869, 870,
&end
#
# 26 TYR QD 59 GLY HA2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 372, 381,
&end
#
# 26 TYR QD 59 GLY HA3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 372, 381,
&end
#
# 26 TYR QD 59 GLY HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 372, 381,
&end
#
# 26 TYR QE 58 ARG+ HA 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 374, 379,
&end
#
# 26 TYR QE 59 GLY HA2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 374, 379,
&end
#
# 26 TYR QE 59 GLY HA3 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 374, 379,
&end
#
# 26 TYR QE 59 GLY HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 374, 379,
&end
#
# 26 TYR QE 59 GLY QA 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 374, 379,
igr2= 902, 903,
&end
#
# 26 TYR QE 60 TYR HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 374, 379,
&end
#
# 27 HIS HE1 83 ASP- HA 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= 394,1267, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 27 HIS HE1 83 ASP- HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 394,1269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 HIS HE1 83 ASP- HB3 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 394,1270, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 28 THR HA 28 THR QG2 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 408, 409, 410,
&end
#
# 28 THR HA 29 SER HN 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 404, 416, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 28 THR HA 32 THR HB 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 404, 465, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 28 THR HB 29 SER HN 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 406, 416, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 28 THR HG1 83 ASP- HB2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 412,1269, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 28 THR HG1 83 ASP- HB3 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 412,1270, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 28 THR HN 28 THR HB 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 402, 406, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 28 THR HN 28 THR HG1 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 402, 412, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 28 THR HN 28 THR QG2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 408, 409, 410,
&end
#
# 28 THR QG2 28 THR HG1 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 408, 409, 410,
&end
#
# 28 THR QG2 29 SER HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 416, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 408, 409, 410,
&end
#
# 28 THR QG2 32 THR HB 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 408, 409, 410,
&end
#
# 28 THR QG2 32 THR HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 408, 409, 410,
&end
#
# 28 THR QG2 48 VAL HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 408, 409, 410,
&end
#
# 28 THR QG2 48 VAL QG2 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr1= 408, 409, 410,
igr2= 723, 724, 725,
&end
#
# 28 THR QG2 61 GLY HA3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 408, 409, 410,
&end
#
# 28 THR QG2 83 ASP- HB2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1269, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 408, 409, 410,
&end
#
# 28 THR QG2 83 ASP- HB3 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 408, 409, 410,
&end
#
# 29 SER HA 30 ASP- HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 418, 427, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 29 SER HB2 30 ASP- HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 420, 427, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 29 SER HB2 31 LYS+ HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 420, 439, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 29 SER HB3 30 ASP- HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 421, 427, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 29 SER HB3 31 LYS+ HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 421, 439, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 29 SER HN 30 ASP- HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 416, 427, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 29 SER HN 32 THR HB 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 416, 465, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 29 SER HN 32 THR HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 416, 461, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 29 SER QB 30 ASP- HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 420, 421,
&end
#
# 29 SER QB 31 LYS+ HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 420, 421,
&end
#
# 29 SER QB 32 THR HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 420, 421,
&end
#
# 30 ASP- HA 48 VAL QG2 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 723, 724, 725,
&end
#
# 30 ASP- HB2 31 LYS+ HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 431, 439, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 30 ASP- HB3 31 LYS+ HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 432, 439, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 30 ASP- HN 30 ASP- HB2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 427, 431, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 30 ASP- HN 30 ASP- HB3 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 427, 432, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 30 ASP- HN 30 ASP- QB 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 431, 432,
&end
#
# 30 ASP- HN 31 LYS+ HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 427, 439, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 30 ASP- HN 48 VAL HB 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= 427, 717, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 30 ASP- HN 48 VAL QG1 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 719, 720, 721,
&end
#
# 30 ASP- HN 48 VAL QG2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 723, 724, 725,
&end
#
# 30 ASP- QB 31 LYS+ HA 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 431, 432,
&end
#
# 30 ASP- QB 31 LYS+ HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 431, 432,
&end
#
# 30 ASP- QB 31 LYS+ QB 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 431, 432,
igr2= 443, 444,
&end
#
# 30 ASP- QB 48 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= 431, 432,
igr2= 723, 724, 725,
&end
#
# 31 LYS+ HA 31 LYS+ HG2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 441, 446, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 31 LYS+ HA 31 LYS+ HG3 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 441, 447, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 31 LYS+ HA 31 LYS+ QG 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 446, 447,
&end
#
# 31 LYS+ HA 34 HIS HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 441, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LYS+ HA 34 HIS HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 441, 494, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 31 LYS+ HA 34 HIS QB 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 498, 499,
&end
#
# 31 LYS+ HA 35 GLU- QG 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 518, 519,
&end
#
# 31 LYS+ HN 31 LYS+ QB 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 443, 444,
&end
#
# 31 LYS+ HN 31 LYS+ QG 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 446, 447,
&end
#
# 31 LYS+ QB 32 THR HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 443, 444,
&end
#
# 31 LYS+ QG 32 THR HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 446, 447,
&end
#
# 31 LYS+ QG 35 GLU- QG 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 446, 447,
igr2= 518, 519,
&end
#
# 32 THR HA 32 THR QG2 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 467, 468, 469,
&end
#
# 32 THR HA 35 GLU- HB2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 463, 515, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 32 THR HA 35 GLU- HB3 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 463, 516, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 32 THR HA 35 GLU- HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 463, 511, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 32 THR HA 35 GLU- QG 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 518, 519,
&end
#
# 32 THR HB 33 LEU HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 465, 475, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 32 THR HN 32 THR HB 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 461, 465, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 32 THR HN 32 THR QG2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 467, 468, 469,
&end
#
# 32 THR HN 33 LEU HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 461, 475, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 32 THR HN 34 HIS HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 461, 494, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 32 THR QG2 82 ILE QG2 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= 467, 468, 469,
igr2=1252,1253,1254,
&end
#
# 32 THR QG2 83 ASP- HA 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 467, 468, 469,
&end
#
# 32 THR QG2 83 ASP- HB2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1269, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 467, 468, 469,
&end
#
# 32 THR QG2 83 ASP- HB3 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 467, 468, 469,
&end
#
# 32 THR QG2 83 ASP- HN 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 467, 468, 469,
&end
#
# 33 LEU HA 33 LEU HG 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 477, 482, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 33 LEU HA 33 LEU QD2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 488, 489, 490,
&end
#
# 33 LEU HA 35 GLU- HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 477, 511, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 33 LEU HA 36 TYR QB 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 530, 531,
&end
#
# 33 LEU HA 37 PHE QD 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 555, 563,
&end
#
# 33 LEU HA 63 VAL QG2 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 965, 966, 967,
&end
#
# 33 LEU HA 82 ILE QD1 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1259,1260,1261,
&end
#
# 33 LEU HA 82 ILE QG2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 477, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1252,1253,1254,
&end
#
# 33 LEU HB2 34 HIS HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 479, 494, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 33 LEU HB3 33 LEU QD2 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 488, 489, 490,
&end
#
# 33 LEU HB3 34 HIS HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 480, 494, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 33 LEU HB3 46 ALA QB 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 691, 692, 693,
&end
#
# 33 LEU HB3 63 VAL QG2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 965, 966, 967,
&end
#
# 33 LEU HB3 82 ILE QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1252,1253,1254,
&end
#
# 33 LEU HG 34 HIS HA 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 482, 496, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 33 LEU HG 37 PHE QD 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 555, 563,
&end
#
# 33 LEU HG 37 PHE QE 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 557, 561,
&end
#
# 33 LEU HG 63 VAL QG2 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 965, 966, 967,
&end
#
# 33 LEU HN 33 LEU HB2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 475, 479, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 33 LEU HN 33 LEU HB3 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 475, 480, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 33 LEU HN 33 LEU HG 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 475, 482, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 33 LEU HN 33 LEU QD2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 488, 489, 490,
&end
#
# 33 LEU HN 34 HIS HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 475, 494, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 33 LEU QD2 34 HIS HA 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 488, 489, 490,
&end
#
# 33 LEU QD2 34 HIS HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 488, 489, 490,
&end
#
# 33 LEU QD2 37 PHE QD 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 488, 489, 490,
igr2= 555, 563,
&end
#
# 33 LEU QD2 37 PHE QE 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 488, 489, 490,
igr2= 557, 561,
&end
#
# 33 LEU QD2 46 ALA HA 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 488, 489, 490,
&end
#
# 33 LEU QD2 47 VAL HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 488, 489, 490,
&end
#
# 33 LEU QD2 61 GLY HA2 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 488, 489, 490,
&end
#
# 33 LEU QD2 61 GLY HA3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 488, 489, 490,
&end
#
# 33 LEU QD2 62 PHE HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 488, 489, 490,
&end
#
# 33 LEU QD2 63 VAL HA 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 488, 489, 490,
&end
#
# 33 LEU QD2 63 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= 488, 489, 490,
igr2= 965, 966, 967,
&end
#
# 34 HIS HA 34 HIS HD2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 496, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 HIS HA 37 PHE HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 496, 547, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 34 HIS HA 43 ILE HG12 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 496, 648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 HIS HA 43 ILE QD1 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 651, 652, 653,
&end
#
# 34 HIS HA 43 ILE QG2 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 644, 645, 646,
&end
#
# 34 HIS HA 46 ALA QB 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 691, 692, 693,
&end
#
# 34 HIS HA 63 VAL QG2 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 965, 966, 967,
&end
#
# 34 HIS HD2 43 ILE HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 507, 640, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 HIS HD2 43 ILE HB 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 507, 642, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 34 HIS HD2 43 ILE QD1 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 651, 652, 653,
&end
#
# 34 HIS HD2 43 ILE QG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 644, 645, 646,
&end
#
# 34 HIS HD2 46 ALA HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 507, 687, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 34 HIS HD2 46 ALA QB 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 691, 692, 693,
&end
#
# 34 HIS HE1 38 GLU- QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 571, 572,
&end
#
# 34 HIS HE1 38 GLU- QG 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 574, 575,
&end
#
# 34 HIS HE1 43 ILE HB 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 503, 642, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 34 HIS HE1 43 ILE QD1 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 651, 652, 653,
&end
#
# 34 HIS HE1 43 ILE QG2 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 644, 645, 646,
&end
#
# 34 HIS HN 34 HIS HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 494, 507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 HIS HN 34 HIS QB 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 498, 499,
&end
#
# 34 HIS HN 35 GLU- HB2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 494, 515, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 34 HIS HN 46 ALA QB 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 691, 692, 693,
&end
#
# 34 HIS QB 34 HIS HD2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 498, 499,
&end
#
# 34 HIS QB 35 GLU- HA 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 498, 499,
&end
#
# 34 HIS QB 35 GLU- HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 511, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 498, 499,
&end
#
# 34 HIS QB 35 GLU- QG 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 498, 499,
igr2= 518, 519,
&end
#
# 34 HIS QB 43 ILE QD1 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= 498, 499,
igr2= 651, 652, 653,
&end
#
# 34 HIS QB 46 ALA QB 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 498, 499,
igr2= 691, 692, 693,
&end
#
# 35 GLU- HA 35 GLU- HG2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 513, 518, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 35 GLU- HA 35 GLU- HG3 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 513, 519, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 35 GLU- HA 35 GLU- QG 1.80 2.88
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 518, 519,
&end
#
# 35 GLU- HA 38 GLU- HG2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 513, 574, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 35 GLU- HA 38 GLU- HG3 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 513, 575, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 35 GLU- HA 38 GLU- HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 513, 567, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 35 GLU- HA 38 GLU- QG 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 574, 575,
&end
#
# 35 GLU- HB2 36 TYR HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 515, 526, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 35 GLU- HB3 36 TYR HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 516, 526, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 35 GLU- HN 35 GLU- HB2 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 511, 515, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 35 GLU- HN 35 GLU- HB3 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 511, 516, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 35 GLU- HN 35 GLU- HG2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 511, 518, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 35 GLU- HN 35 GLU- HG3 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 511, 519, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 35 GLU- HN 35 GLU- QG 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 518, 519,
&end
#
# 35 GLU- HN 36 TYR HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 511, 526, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 36 TYR HA 36 TYR QD 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 534, 543,
&end
#
# 36 TYR HA 36 TYR QE 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 536, 541,
&end
#
# 36 TYR HA 38 GLU- HN 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 528, 567, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 36 TYR HA 39 GLN HE21 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 528, 594, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 36 TYR HA 39 GLN HE22 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 528, 595, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 36 TYR HA 39 GLN QE2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 594, 595,
&end
#
# 36 TYR HB2 82 ILE QD1 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1259,1260,1261,
&end
#
# 36 TYR HB2 82 ILE QG2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1252,1253,1254,
&end
#
# 36 TYR HB3 82 ILE QD1 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1259,1260,1261,
&end
#
# 36 TYR HB3 82 ILE QG2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1252,1253,1254,
&end
#
# 36 TYR HN 36 TYR HB2 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 526, 530, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 36 TYR HN 36 TYR HB3 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 526, 531, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 36 TYR HN 36 TYR QD 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 534, 543,
&end
#
# 36 TYR QD 37 PHE QD 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 534, 543,
igr2= 555, 563,
&end
#
# 36 TYR QD 82 ILE QD1 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 534, 543,
igr2=1259,1260,1261,
&end
#
# 36 TYR QD 82 ILE QG2 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 534, 543,
igr2=1252,1253,1254,
&end
#
# 36 TYR QE 37 PHE QE 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= 536, 541,
igr2= 557, 561,
&end
#
# 36 TYR QE 40 PHE HZ 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 536, 541,
&end
#
# 36 TYR QE 40 PHE QE 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 536, 541,
igr2= 609, 613,
&end
#
# 36 TYR QE 80 PRO HB2 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 536, 541,
&end
#
# 36 TYR QE 80 PRO HB3 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1221, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 536, 541,
&end
#
# 36 TYR QE 80 PRO HG3 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 536, 541,
&end
#
# 36 TYR QE 82 ILE QD1 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= 536, 541,
igr2=1259,1260,1261,
&end
#
# 36 TYR QE 82 ILE QG1 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 536, 541,
igr2=1256,1257,
&end
#
# 36 TYR QE 89 VAL QG2 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= 536, 541,
igr2=1364,1365,1366,
&end
#
# 37 PHE HA 37 PHE QD 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 555, 563,
&end
#
# 37 PHE HA 40 PHE QB 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 603, 604,
&end
#
# 37 PHE HA 40 PHE QD 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 607, 615,
&end
#
# 37 PHE HA 40 PHE QE 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 609, 613,
&end
#
# 37 PHE HA 43 ILE QD1 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 651, 652, 653,
&end
#
# 37 PHE HB2 43 ILE QD1 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 651, 652, 653,
&end
#
# 37 PHE HB2 63 VAL QG1 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 961, 962, 963,
&end
#
# 37 PHE HB2 63 VAL QG2 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 965, 966, 967,
&end
#
# 37 PHE HB3 43 ILE QD1 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 651, 652, 653,
&end
#
# 37 PHE HB3 63 VAL QG1 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 961, 962, 963,
&end
#
# 37 PHE HB3 63 VAL QG2 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 965, 966, 967,
&end
#
# 37 PHE HN 37 PHE HB2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 547, 551, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 37 PHE HN 37 PHE HB3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 547, 552, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 37 PHE HN 37 PHE QB 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 551, 552,
&end
#
# 37 PHE HN 38 GLU- HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 547, 567, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 37 PHE HN 43 ILE QD1 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 651, 652, 653,
&end
#
# 37 PHE HZ 80 PRO HG3 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 559,1218, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 37 PHE HZ 82 ILE QD1 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1259,1260,1261,
&end
#
# 37 PHE HZ 89 VAL HB 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= 559,1358, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 37 PHE HZ 89 VAL QG1 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1360,1361,1362,
&end
#
# 37 PHE HZ 89 VAL QG2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1364,1365,1366,
&end
#
# 37 PHE QB 38 GLU- HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 551, 552,
&end
#
# 37 PHE QB 40 PHE QD 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= 551, 552,
igr2= 607, 615,
&end
#
# 37 PHE QB 63 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= 551, 552,
igr2= 965, 966, 967,
&end
#
# 37 PHE QB 65 MET QE 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= 551, 552,
igr2= 996, 997, 998,
&end
#
# 37 PHE QB 74 ALA QB 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 551, 552,
igr2=1134,1135,1136,
&end
#
# 37 PHE QD 40 PHE QE 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 555, 563,
igr2= 609, 613,
&end
#
# 37 PHE QD 63 VAL QG1 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= 555, 563,
igr2= 961, 962, 963,
&end
#
# 37 PHE QD 63 VAL QG2 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= 555, 563,
igr2= 965, 966, 967,
&end
#
# 37 PHE QD 65 MET HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 555, 563,
&end
#
# 37 PHE QD 65 MET HG3 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 555, 563,
&end
#
# 37 PHE QD 65 MET QE 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= 555, 563,
igr2= 996, 997, 998,
&end
#
# 37 PHE QD 74 ALA HA 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1132, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 555, 563,
&end
#
# 37 PHE QD 74 ALA QB 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= 555, 563,
igr2=1134,1135,1136,
&end
#
# 37 PHE QD 82 ILE QD1 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 555, 563,
igr2=1259,1260,1261,
&end
#
# 37 PHE QD 82 ILE QG2 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 555, 563,
igr2=1252,1253,1254,
&end
#
# 37 PHE QD 89 VAL QG1 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= 555, 563,
igr2=1360,1361,1362,
&end
#
# 37 PHE QE 63 VAL QG2 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= 557, 561,
igr2= 965, 966, 967,
&end
#
# 37 PHE QE 74 ALA QB 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 557, 561,
igr2=1134,1135,1136,
&end
#
# 37 PHE QE 82 ILE QD1 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= 557, 561,
igr2=1259,1260,1261,
&end
#
# 37 PHE QE 82 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= 557, 561,
igr2=1252,1253,1254,
&end
#
# 38 GLU- HA 38 GLU- QG 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 574, 575,
&end
#
# 38 GLU- HA 41 GLY HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 569, 619, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 38 GLU- HA 43 ILE HG12 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 569, 648, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 38 GLU- HA 43 ILE HG13 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 569, 649, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 38 GLU- HA 43 ILE QD1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 651, 652, 653,
&end
#
# 38 GLU- HB2 39 GLN HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 571, 582, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 38 GLU- HB2 43 ILE QD1 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 651, 652, 653,
&end
#
# 38 GLU- HB3 39 GLN HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 572, 582, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 38 GLU- HB3 43 ILE QD1 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 651, 652, 653,
&end
#
# 38 GLU- HG2 39 GLN HN 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 574, 582, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 38 GLU- HG2 43 ILE QD1 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 651, 652, 653,
&end
#
# 38 GLU- HG3 39 GLN HN 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 575, 582, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 38 GLU- HG3 43 ILE QD1 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 651, 652, 653,
&end
#
# 38 GLU- HN 38 GLU- HB2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 567, 571, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 38 GLU- HN 38 GLU- HB3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 567, 572, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 38 GLU- HN 38 GLU- HG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 567, 574, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 38 GLU- HN 38 GLU- HG3 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 567, 575, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 38 GLU- HN 38 GLU- QB 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 571, 572,
&end
#
# 38 GLU- HN 39 GLN HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 567, 582, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 38 GLU- HN 43 ILE QD1 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 651, 652, 653,
&end
#
# 38 GLU- QB 39 GLN HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 571, 572,
&end
#
# 38 GLU- QB 43 ILE QD1 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 571, 572,
igr2= 651, 652, 653,
&end
#
# 38 GLU- QG 39 GLN HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 574, 575,
&end
#
# 38 GLU- QG 43 ILE QD1 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= 574, 575,
igr2= 651, 652, 653,
&end
#
# 39 GLN HA 39 GLN QG 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 589, 590,
&end
#
# 39 GLN HA 41 GLY HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 584, 619, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 39 GLN HG2 40 PHE HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 589, 599, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 39 GLN HG2 40 PHE QD 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 607, 615,
&end
#
# 39 GLN HG3 40 PHE HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 590, 599, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 39 GLN HG3 40 PHE QD 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 607, 615,
&end
#
# 39 GLN HN 39 GLN HB2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 582, 586, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 39 GLN HN 39 GLN HB3 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 582, 587, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 39 GLN HN 39 GLN QB 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 586, 587,
&end
#
# 39 GLN HN 39 GLN QG 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 589, 590,
&end
#
# 39 GLN HN 40 PHE HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 582, 599, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 39 GLN HN 41 GLY HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 582, 619, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 39 GLN QG 39 GLN QE2 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 589, 590,
igr2= 594, 595,
&end
#
# 39 GLN QG 40 PHE HA 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 589, 590,
&end
#
# 39 GLN QG 40 PHE HN 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 589, 590,
&end
#
# 39 GLN QG 40 PHE QE 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 589, 590,
igr2= 609, 613,
&end
#
# 40 PHE HA 40 PHE QD 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 607, 615,
&end
#
# 40 PHE HB2 65 MET QE 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 996, 997, 998,
&end
#
# 40 PHE HB2 74 ALA QB 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1134,1135,1136,
&end
#
# 40 PHE HB3 65 MET QE 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 996, 997, 998,
&end
#
# 40 PHE HB3 74 ALA QB 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1134,1135,1136,
&end
#
# 40 PHE HN 40 PHE HB2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 599, 603, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 40 PHE HN 40 PHE HB3 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 599, 604, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 40 PHE HN 40 PHE QB 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 603, 604,
&end
#
# 40 PHE HN 41 GLY HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 599, 619, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 40 PHE HN 65 MET QE 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 996, 997, 998,
&end
#
# 40 PHE HZ 74 ALA HA 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 611,1132, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 40 PHE QB 41 GLY HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 603, 604,
&end
#
# 40 PHE QB 65 MET QE 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 603, 604,
igr2= 996, 997, 998,
&end
#
# 40 PHE QB 73 ARG+ QB 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 603, 604,
igr2=1110,1111,
&end
#
# 40 PHE QB 74 ALA HA 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1132, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 603, 604,
&end
#
# 40 PHE QB 74 ALA HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 603, 604,
&end
#
# 40 PHE QB 74 ALA 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= 603, 604,
igr2=1134,1135,1136,
&end
#
# 40 PHE QD 73 ARG+ HA 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 607, 615,
&end
#
# 40 PHE QD 73 ARG+ HB2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 607, 615,
&end
#
# 40 PHE QD 73 ARG+ HB3 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 607, 615,
&end
#
# 40 PHE QD 73 ARG+ QB 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= 607, 615,
igr2=1110,1111,
&end
#
# 40 PHE QD 73 ARG+ QD 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 607, 615,
igr2=1116,1117,
&end
#
# 40 PHE QD 74 ALA HA 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1132, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 607, 615,
&end
#
# 40 PHE QD 74 ALA QB 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 607, 615,
igr2=1134,1135,1136,
&end
#
# 40 PHE QE 74 ALA HA 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1132, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 609, 613,
&end
#
# 40 PHE QE 74 ALA QB 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= 609, 613,
igr2=1134,1135,1136,
&end
#
# 41 GLY HA2 42 ASP- HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 621, 626, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 41 GLY HA3 42 ASP- HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 622, 626, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 41 GLY HN 42 ASP- HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 619, 626, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 41 GLY HN 43 ILE HG13 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 619, 649, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 41 GLY HN 65 MET QE 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 996, 997, 998,
&end
#
# 41 GLY QA 42 ASP- HB2 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 621, 622,
&end
#
# 41 GLY QA 65 MET HB3 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 621, 622,
&end
#
# 41 GLY QA 65 MET QE 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 621, 622,
igr2= 996, 997, 998,
&end
#
# 41 GLY QA 70 SER QB 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 621, 622,
igr2=1074,1075,
&end
#
# 42 ASP- HA 43 ILE HB 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 628, 642, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 42 ASP- HA 43 ILE HG13 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 628, 649, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 42 ASP- HA 43 ILE HN 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= 628, 638, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 42 ASP- HA 43 ILE QD1 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 651, 652, 653,
&end
#
# 42 ASP- HA 66 LYS+ QD 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1012,1013,
&end
#
# 42 ASP- HB2 43 ILE HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 630, 640, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 ASP- HB2 43 ILE HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 630, 638, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 42 ASP- HB2 66 LYS+ HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 630,1004, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 ASP- HB2 66 LYS+ HB2 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 630,1006, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 42 ASP- HB2 66 LYS+ HB3 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 630,1007, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 42 ASP- HB2 66 LYS+ QD 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1012,1013,
&end
#
# 42 ASP- HB2 66 LYS+ QG 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1009,1010,
&end
#
# 42 ASP- HB2 67 ASP- HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 630,1024, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 42 ASP- HB3 43 ILE HA 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 631, 640, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 42 ASP- HB3 43 ILE HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 631, 638, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 42 ASP- HB3 66 LYS+ HB3 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 631,1007, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 42 ASP- HB3 66 LYS+ QD 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1012,1013,
&end
#
# 42 ASP- HB3 66 LYS+ QG 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1009,1010,
&end
#
# 42 ASP- HN 42 ASP- HB2 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 626, 630, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 42 ASP- HN 42 ASP- HB3 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 626, 631, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 42 ASP- HN 43 ILE HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 626, 638, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 42 ASP- HN 65 MET QE 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 996, 997, 998,
&end
#
# 42 ASP- HN 66 LYS+ HB2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 626,1006, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 43 ILE HA 43 ILE HG12 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 640, 648, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 43 ILE HA 43 ILE HG13 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 640, 649, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 43 ILE HA 43 ILE QD1 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 651, 652, 653,
&end
#
# 43 ILE HA 43 ILE QG2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 644, 645, 646,
&end
#
# 43 ILE HA 44 GLU- HA 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 640, 659, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 43 ILE HA 44 GLU- HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 640, 657, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 43 ILE HA 44 GLU- QB 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 661, 662,
&end
#
# 43 ILE HA 45 GLU- HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 640, 672, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 43 ILE HA 63 VAL QG1 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 961, 962, 963,
&end
#
# 43 ILE HA 65 MET HA 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 640, 987, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 43 ILE HA 65 MET HB3 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 640, 990, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 43 ILE HA 65 MET QE 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 996, 997, 998,
&end
#
# 43 ILE HA 66 LYS+ HB2 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat= 640,1006, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 43 ILE HA 66 LYS+ HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 640,1002, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 43 ILE HB 43 ILE QD1 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 651, 652, 653,
&end
#
# 43 ILE HB 44 GLU- HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 642, 657, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 43 ILE HG12 65 MET QE 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 996, 997, 998,
&end
#
# 43 ILE HG13 65 MET QE 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 996, 997, 998,
&end
#
# 43 ILE HN 43 ILE HB 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 638, 642, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 43 ILE HN 43 ILE HG12 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 638, 648, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 43 ILE HN 43 ILE HG13 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 638, 649, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 43 ILE HN 43 ILE QD1 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 651, 652, 653,
&end
#
# 43 ILE HN 43 ILE QG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 644, 645, 646,
&end
#
# 43 ILE QD1 46 ALA QB 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 651, 652, 653,
igr2= 691, 692, 693,
&end
#
# 43 ILE QD1 65 MET QE 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 651, 652, 653,
igr2= 996, 997, 998,
&end
#
# 43 ILE QG2 43 ILE HG12 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 644, 645, 646,
&end
#
# 43 ILE QG2 43 ILE HG13 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 644, 645, 646,
&end
#
# 43 ILE QG2 43 ILE QD1 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= 644, 645, 646,
igr2= 651, 652, 653,
&end
#
# 43 ILE QG2 44 GLU- HA 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 644, 645, 646,
&end
#
# 43 ILE QG2 44 GLU- HB2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 644, 645, 646,
&end
#
# 43 ILE QG2 44 GLU- HB3 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 644, 645, 646,
&end
#
# 43 ILE QG2 44 GLU- HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 644, 645, 646,
&end
#
# 43 ILE QG2 44 GLU- QG 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= 644, 645, 646,
igr2= 664, 665,
&end
#
# 43 ILE QG2 45 GLU- HA 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 644, 645, 646,
&end
#
# 43 ILE QG2 45 GLU- HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 644, 645, 646,
&end
#
# 43 ILE QG2 46 ALA HA 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 644, 645, 646,
&end
#
# 43 ILE QG2 46 ALA HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 644, 645, 646,
&end
#
# 43 ILE QG2 46 ALA QB 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 644, 645, 646,
igr2= 691, 692, 693,
&end
#
# 43 ILE QG2 64 THR HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 644, 645, 646,
&end
#
# 43 ILE QG2 65 MET HA 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 644, 645, 646,
&end
#
# 43 ILE QG2 65 MET QE 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 644, 645, 646,
igr2= 996, 997, 998,
&end
#
# 44 GLU- HA 44 GLU- QG 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 664, 665,
&end
#
# 44 GLU- HA 66 LYS+ HA 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 659,1004, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 44 GLU- HA 66 LYS+ QE 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1015,1016,
&end
#
# 44 GLU- HA 66 LYS+ QG 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1009,1010,
&end
#
# 44 GLU- HB2 45 GLU- HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 661, 672, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 44 GLU- HB2 64 THR HB 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 661, 975, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 44 GLU- HB2 64 THR QG2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 977, 978, 979,
&end
#
# 44 GLU- HB2 66 LYS+ QG 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1009,1010,
&end
#
# 44 GLU- HB3 45 GLU- HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 662, 672, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 44 GLU- HB3 64 THR HB 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 662, 975, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 44 GLU- HB3 64 THR QG2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 977, 978, 979,
&end
#
# 44 GLU- HB3 66 LYS+ QG 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 662, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1009,1010,
&end
#
# 44 GLU- HN 44 GLU- HB2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 657, 661, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 44 GLU- HN 44 GLU- HB3 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 657, 662, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 44 GLU- HN 44 GLU- QG 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 664, 665,
&end
#
# 44 GLU- HN 45 GLU- HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 657, 672, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 44 GLU- HN 64 THR HB 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 657, 975, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 44 GLU- HN 64 THR QG2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 977, 978, 979,
&end
#
# 44 GLU- HN 65 MET HA 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 657, 987, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 44 GLU- HN 66 LYS+ HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 657,1002, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 44 GLU- HN 66 LYS+ QG 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1009,1010,
&end
#
# 44 GLU- QB 45 GLU- HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 661, 662,
&end
#
# 44 GLU- QB 64 THR HB 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 661, 662,
&end
#
# 44 GLU- QB 64 THR QG2 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= 661, 662,
igr2= 977, 978, 979,
&end
#
# 44 GLU- QB 66 LYS+ HA 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 661, 662,
&end
#
# 44 GLU- QB 66 LYS+ QG 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= 661, 662,
igr2=1009,1010,
&end
#
# 44 GLU- QG 45 GLU- HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 664, 665,
&end
#
# 44 GLU- QG 64 THR HB 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 664, 665,
&end
#
# 44 GLU- QG 64 THR QG2 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 664, 665,
igr2= 977, 978, 979,
&end
#
# 44 GLU- QG 66 LYS+ HA 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 664, 665,
&end
#
# 44 GLU- QG 66 LYS+ HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 664, 665,
&end
#
# 44 GLU- QG 66 LYS+ QE 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= 664, 665,
igr2=1015,1016,
&end
#
# 44 GLU- QG 66 LYS+ QG 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 664, 665,
igr2=1009,1010,
&end
#
# 45 GLU- HA 45 GLU- HG2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 674, 679, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 45 GLU- HA 45 GLU- HG3 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 674, 680, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 45 GLU- HA 45 GLU- QG 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 679, 680,
&end
#
# 45 GLU- HA 46 ALA HN 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 674, 687, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 45 GLU- HB2 46 ALA HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 676, 687, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 45 GLU- HB3 46 ALA HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 677, 687, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 45 GLU- HG2 46 ALA HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 679, 687, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 45 GLU- HG3 46 ALA HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 680, 687, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 45 GLU- HN 45 GLU- QB 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 676, 677,
&end
#
# 45 GLU- HN 46 ALA HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 672, 687, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 45 GLU- HN 64 THR HB 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 672, 975, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 45 GLU- HN 64 THR HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 672, 971, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 45 GLU- HN 64 THR QG2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 977, 978, 979,
&end
#
# 45 GLU- QB 46 ALA HA 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 676, 677,
&end
#
# 45 GLU- QB 46 ALA HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 676, 677,
&end
#
# 45 GLU- QB 64 THR HB 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 676, 677,
&end
#
# 45 GLU- QB 64 THR HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 676, 677,
&end
#
# 45 GLU- QG 46 ALA HA 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 679, 680,
&end
#
# 45 GLU- QG 46 ALA HN 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 679, 680,
&end
#
# 45 GLU- QG 47 VAL QQG 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 679, 680,
igr2= 703, 704, 705, 707, 708, 709,
&end
#
# 46 ALA HA 47 VAL HN 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 689, 697, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 46 ALA HA 47 VAL QQG 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 703, 704, 705, 707, 708, 709,
&end
#
# 46 ALA HA 63 VAL HA 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 689, 957, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 46 ALA HA 63 VAL QG1 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 961, 962, 963,
&end
#
# 46 ALA HA 63 VAL QG2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 965, 966, 967,
&end
#
# 46 ALA HA 64 THR HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 689, 971, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 46 ALA HN 46 ALA QB 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 691, 692, 693,
&end
#
# 46 ALA HN 47 VAL QQG 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2= 703, 704, 705, 707, 708, 709,
&end
#
# 46 ALA QB 47 VAL HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 691, 692, 693,
&end
#
# 46 ALA QB 63 VAL QG2 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 691, 692, 693,
igr2= 965, 966, 967,
&end
#
# 47 VAL HA 48 VAL HN 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 699, 713, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 47 VAL HA 48 VAL QG2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 723, 724, 725,
&end
#
# 47 VAL HB 48 VAL HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 701, 713, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 47 VAL HN 47 VAL HB 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 697, 701, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 47 VAL HN 47 VAL QQG 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 703, 704, 705, 707, 708, 709,
&end
#
# 47 VAL HN 62 PHE HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 697, 935, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 47 VAL HN 63 VAL HA 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 697, 957, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 47 VAL HN 63 VAL QG2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 965, 966, 967,
&end
#
# 47 VAL QQG 48 VAL HA 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 703, 704, 705, 707, 708, 709,
&end
#
# 47 VAL QQG 48 VAL HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 703, 704, 705, 707, 708, 709,
&end
#
# 47 VAL QQG 61 GLY HA3 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 703, 704, 705, 707, 708, 709,
&end
#
# 47 VAL QQG 62 PHE HA 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 703, 704, 705, 707, 708, 709,
&end
#
# 47 VAL QQG 62 PHE HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 703, 704, 705, 707, 708, 709,
&end
#
# 47 VAL QQG 62 PHE QB 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 703, 704, 705, 707, 708, 709,
igr2= 939, 940,
&end
#
# 47 VAL QQG 62 PHE QD 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 703, 704, 705, 707, 708, 709,
igr2= 943, 951,
&end
#
# 48 VAL HA 48 VAL QG1 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 719, 720, 721,
&end
#
# 48 VAL HA 48 VAL QG2 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 723, 724, 725,
&end
#
# 48 VAL HA 49 ILE HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 715, 733, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 VAL HA 49 ILE HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 715, 729, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 48 VAL HA 61 GLY HA2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 715, 930, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 48 VAL HB 50 THR QG2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 754, 755, 756,
&end
#
# 48 VAL HN 48 VAL HB 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 713, 717, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 48 VAL HN 48 VAL QG1 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 719, 720, 721,
&end
#
# 48 VAL HN 48 VAL QG2 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 723, 724, 725,
&end
#
# 48 VAL QG1 49 ILE HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 719, 720, 721,
&end
#
# 48 VAL QG1 57 SER HA 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 719, 720, 721,
&end
#
# 48 VAL QG1 57 SER QB 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 719, 720, 721,
igr2= 869, 870,
&end
#
# 48 VAL QG1 58 ARG+ HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 719, 720, 721,
&end
#
# 48 VAL QG1 59 GLY HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 719, 720, 721,
&end
#
# 48 VAL QG1 60 TYR HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 719, 720, 721,
&end
#
# 48 VAL QG1 61 GLY HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 719, 720, 721,
&end
#
# 48 VAL QG2 49 ILE HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 723, 724, 725,
&end
#
# 49 ILE HA 49 ILE QD1 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 742, 743, 744,
&end
#
# 49 ILE HA 49 ILE QG2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 735, 736, 737,
&end
#
# 49 ILE HA 50 THR HN 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 731, 748, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 49 ILE HB 58 ARG+ QB 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 880, 881,
&end
#
# 49 ILE HB 60 TYR HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 733, 907, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 49 ILE HB 61 GLY HA2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 733, 930, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 49 ILE HB 61 GLY HA3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 733, 931, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ILE HN 49 ILE HB 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 729, 733, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 49 ILE HN 49 ILE QD1 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 742, 743, 744,
&end
#
# 49 ILE HN 49 ILE QG1 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 739, 740,
&end
#
# 49 ILE HN 49 ILE QG2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 735, 736, 737,
&end
#
# 49 ILE HN 60 TYR HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 729, 907, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ILE HN 61 GLY HA2 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 729, 930, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 49 ILE HN 61 GLY HA3 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 729, 931, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 49 ILE QD1 50 THR HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 742, 743, 744,
&end
#
# 49 ILE QD1 62 PHE HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 742, 743, 744,
&end
#
# 49 ILE QD1 62 PHE QB 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 742, 743, 744,
igr2= 939, 940,
&end
#
# 49 ILE QD1 62 PHE QD 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 742, 743, 744,
igr2= 943, 951,
&end
#
# 49 ILE QD1 62 PHE QE 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 742, 743, 744,
igr2= 945, 949,
&end
#
# 49 ILE QG1 62 PHE QD 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 739, 740,
igr2= 943, 951,
&end
#
# 49 ILE QG1 62 PHE QE 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 739, 740,
igr2= 945, 949,
&end
#
# 49 ILE QG2 49 ILE QG1 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= 735, 736, 737,
igr2= 739, 740,
&end
#
# 49 ILE QG2 50 THR HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 735, 736, 737,
&end
#
# 49 ILE QG2 58 ARG+ HG2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 735, 736, 737,
&end
#
# 49 ILE QG2 58 ARG+ HG3 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 735, 736, 737,
&end
#
# 49 ILE QG2 58 ARG+ QB 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 735, 736, 737,
igr2= 880, 881,
&end
#
# 49 ILE QG2 58 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= 735, 736, 737,
igr2= 886, 887,
&end
#
# 49 ILE QG2 58 ARG+ QG 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= 735, 736, 737,
igr2= 883, 884,
&end
#
# 49 ILE QG2 60 TYR QD 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= 735, 736, 737,
igr2= 915, 924,
&end
#
# 49 ILE QG2 62 PHE QD 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 735, 736, 737,
igr2= 943, 951,
&end
#
# 50 THR HA 57 SER HA 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 750, 867, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 50 THR HA 58 ARG+ HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 750, 876, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 50 THR HB 51 ASP- HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 752, 762, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 50 THR HB 55 GLN HA 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 752, 828, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 50 THR HB 55 GLN HN 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 752, 826, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 50 THR HB 55 GLN QB 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 830, 831,
&end
#
# 50 THR HB 57 SER HA 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 752, 867, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 50 THR HG1 55 GLN QB 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 830, 831,
&end
#
# 50 THR HN 50 THR QG2 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 754, 755, 756,
&end
#
# 50 THR QG2 51 ASP- HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 754, 755, 756,
&end
#
# 50 THR QG2 55 GLN HA 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 754, 755, 756,
&end
#
# 50 THR QG2 55 GLN QB 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= 754, 755, 756,
igr2= 830, 831,
&end
#
# 50 THR QG2 56 LYS+ HA 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 754, 755, 756,
&end
#
# 50 THR QG2 57 SER HA 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 754, 755, 756,
&end
#
# 50 THR QG2 57 SER HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 754, 755, 756,
&end
#
# 50 THR QG2 57 SER QB 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 754, 755, 756,
igr2= 869, 870,
&end
#
# 50 THR QG2 58 ARG+ HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 754, 755, 756,
&end
#
# 51 ASP- HA 52 ARG+ HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 764, 774, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 51 ASP- HA 52 ARG+ QB 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 778, 779,
&end
#
# 51 ASP- HA 52 ARG+ QG 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 781, 782,
&end
#
# 51 ASP- HA 53 ASN HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 764, 798, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 51 ASP- HB2 52 ARG+ HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 766, 774, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 51 ASP- HB2 54 THR HG1 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 766, 822, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 51 ASP- HB2 54 THR HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 766, 812, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 51 ASP- HB2 54 THR QG2 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 818, 819, 820,
&end
#
# 51 ASP- HB2 55 GLN HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 766, 826, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 51 ASP- HB2 56 LYS+ HB3 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 766, 848, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 51 ASP- HB2 56 LYS+ HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 766, 843, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 51 ASP- HB3 52 ARG+ HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 767, 774, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 51 ASP- HB3 54 THR HG1 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 767, 822, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 51 ASP- HB3 54 THR HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 767, 812, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 51 ASP- HB3 54 THR QG2 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 818, 819, 820,
&end
#
# 51 ASP- HB3 55 GLN HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 767, 826, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 51 ASP- HB3 56 LYS+ HB3 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 767, 848, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 51 ASP- HB3 56 LYS+ HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 767, 843, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 51 ASP- HN 51 ASP- HB2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 762, 766, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 51 ASP- HN 51 ASP- HB3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 762, 767, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 51 ASP- HN 56 LYS+ HE2 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 762, 856, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 51 ASP- HN 56 LYS+ HE3 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 762, 857, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 51 ASP- HN 56 LYS+ HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 762, 843, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 51 ASP- HN 58 ARG+ HG2 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 762, 883, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 51 ASP- HN 58 ARG+ HG3 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 762, 884, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 51 ASP- HN 58 ARG+ QG 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 883, 884,
&end
#
# 51 ASP- QB 54 THR HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 766, 767,
&end
#
# 51 ASP- QB 54 THR QG2 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 766, 767,
igr2= 818, 819, 820,
&end
#
# 51 ASP- QB 55 GLN HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 766, 767,
&end
#
# 51 ASP- QB 56 LYS+ HN 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 766, 767,
&end
#
# 52 ARG+ HA 52 ARG+ QD 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 784, 785,
&end
#
# 52 ARG+ HA 52 ARG+ QG 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 781, 782,
&end
#
# 52 ARG+ HA 55 GLN HE21 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 776, 838, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 52 ARG+ HA 55 GLN HE22 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 776, 839, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 52 ARG+ HA 55 GLN QG 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 833, 834,
&end
#
# 52 ARG+ HN 52 ARG+ QB 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 778, 779,
&end
#
# 52 ARG+ HN 52 ARG+ QD 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 784, 785,
&end
#
# 52 ARG+ HN 52 ARG+ QG 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 781, 782,
&end
#
# 52 ARG+ HN 53 ASN HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 774, 798, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 52 ARG+ QB 52 ARG+ QD 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 778, 779,
igr2= 784, 785,
&end
#
# 52 ARG+ QB 53 ASN HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 778, 779,
&end
#
# 52 ARG+ QG 52 ARG+ QD 1.80 2.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1= 781, 782,
igr2= 784, 785,
&end
#
# 52 ARG+ QG 53 ASN HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 781, 782,
&end
#
# 53 ASN HB2 54 THR HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 802, 812, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 53 ASN HB2 54 THR QG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 818, 819, 820,
&end
#
# 53 ASN HB3 54 THR HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 803, 812, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 53 ASN HB3 54 THR QG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 818, 819, 820,
&end
#
# 53 ASN HN 53 ASN HB2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 798, 802, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 53 ASN HN 53 ASN HB3 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 798, 803, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 53 ASN HN 53 ASN QB 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 802, 803,
&end
#
# 53 ASN HN 54 THR HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 798, 812, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 53 ASN HN 54 THR QG2 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 818, 819, 820,
&end
#
# 53 ASN HN 55 GLN HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 798, 826, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 53 ASN QB 53 ASN QD2 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 802, 803,
igr2= 807, 808,
&end
#
# 53 ASN QB 54 THR HN 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 802, 803,
&end
#
# 53 ASN QB 54 THR QG2 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= 802, 803,
igr2= 818, 819, 820,
&end
#
# 54 THR HA 54 THR QG2 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 818, 819, 820,
&end
#
# 54 THR HA 55 GLN QB 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 830, 831,
&end
#
# 54 THR HA 55 GLN QG 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 833, 834,
&end
#
# 54 THR HB 55 GLN HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 816, 826, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 54 THR HB 56 LYS+ HB2 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 816, 847, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 54 THR HB 56 LYS+ HB3 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 816, 848, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 54 THR HB 56 LYS+ HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 816, 843, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 54 THR HB 56 LYS+ QE 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 856, 857,
&end
#
# 54 THR HB 56 LYS+ QG 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 850, 851,
&end
#
# 54 THR HG1 56 LYS+ HB3 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 822, 848, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 54 THR HG1 56 LYS+ QD 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 853, 854,
&end
#
# 54 THR HG1 56 LYS+ QG 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 850, 851,
&end
#
# 54 THR HN 54 THR QG2 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 818, 819, 820,
&end
#
# 54 THR HN 55 GLN HA 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 812, 828, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 54 THR HN 55 GLN HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 812, 826, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 54 THR HN 55 GLN QG 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 833, 834,
&end
#
# 54 THR HN 56 LYS+ HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 812, 843, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 54 THR QG2 54 THR HG1 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 818, 819, 820,
&end
#
# 54 THR QG2 55 GLN HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 818, 819, 820,
&end
#
# 54 THR QG2 56 LYS+ HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 818, 819, 820,
&end
#
# 55 GLN HA 55 GLN QG 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 833, 834,
&end
#
# 55 GLN HA 56 LYS+ HA 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 828, 845, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 55 GLN HN 55 GLN QB 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 830, 831,
&end
#
# 55 GLN HN 55 GLN QG 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 833, 834,
&end
#
# 55 GLN HN 56 LYS+ HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 826, 843, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 55 GLN QB 56 LYS+ HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 830, 831,
&end
#
# 55 GLN QB 56 LYS+ HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 830, 831,
&end
#
# 56 LYS+ HA 56 LYS+ QD 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 853, 854,
&end
#
# 56 LYS+ HA 56 LYS+ QG 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 850, 851,
&end
#
# 56 LYS+ HA 57 SER HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 845, 865, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 56 LYS+ HB2 57 SER HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 847, 865, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 56 LYS+ HB3 57 SER HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 848, 865, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 56 LYS+ HN 56 LYS+ HB2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 843, 847, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 56 LYS+ HN 56 LYS+ HB3 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 843, 848, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 56 LYS+ HN 56 LYS+ QD 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 853, 854,
&end
#
# 56 LYS+ HN 56 LYS+ QE 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 856, 857,
&end
#
# 56 LYS+ HN 56 LYS+ QG 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 850, 851,
&end
#
# 56 LYS+ QD 57 SER HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 853, 854,
&end
#
# 56 LYS+ QG 56 LYS+ QE 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 850, 851,
igr2= 856, 857,
&end
#
# 56 LYS+ QG 57 SER HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 850, 851,
&end
#
# 57 SER HA 58 ARG+ HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 867, 876, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 57 SER HA 59 GLY HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 867, 900, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 57 SER HB2 58 ARG+ HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 869, 876, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 57 SER HB3 58 ARG+ HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 870, 876, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 57 SER HN 57 SER HB2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 865, 869, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 57 SER HN 57 SER HB3 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 865, 870, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 57 SER QB 59 GLY HN 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 869, 870,
&end
#
# 58 ARG+ HA 58 ARG+ HG2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 878, 883, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 58 ARG+ HA 58 ARG+ HG3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 878, 884, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 58 ARG+ HA 58 ARG+ QD 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 886, 887,
&end
#
# 58 ARG+ HA 58 ARG+ QG 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 883, 884,
&end
#
# 58 ARG+ HD2 60 TYR QD 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 915, 924,
&end
#
# 58 ARG+ HD3 60 TYR QD 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 915, 924,
&end
#
# 58 ARG+ HN 58 ARG+ HG2 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 876, 883, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 58 ARG+ HN 58 ARG+ HG3 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 876, 884, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 58 ARG+ HN 58 ARG+ QD 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 886, 887,
&end
#
# 58 ARG+ HN 59 GLY HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 876, 900, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 58 ARG+ HN 60 TYR HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 876, 907, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 58 ARG+ QB 58 ARG+ 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= 880, 881,
igr2= 886, 887,
&end
#
# 58 ARG+ QB 60 TYR HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 880, 881,
&end
#
# 58 ARG+ QB 60 TYR QD 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= 880, 881,
igr2= 915, 924,
&end
#
# 58 ARG+ QD 60 TYR QD 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 886, 887,
igr2= 915, 924,
&end
#
# 59 GLY HN 60 TYR HN 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 900, 907, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 60 TYR HB2 61 GLY HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 911, 928, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 60 TYR HB3 61 GLY HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 912, 928, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 60 TYR HN 61 GLY HN 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 907, 928, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 60 TYR QB 61 GLY HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 911, 912,
&end
#
# 61 GLY HA3 62 PHE HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 931, 935, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 PHE HA 62 PHE QD 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 943, 951,
&end
#
# 62 PHE HA 63 VAL HB 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 937, 959, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 62 PHE HA 63 VAL HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 937, 955, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 62 PHE HA 63 VAL QG2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 965, 966, 967,
&end
#
# 62 PHE HB2 63 VAL HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 939, 955, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 62 PHE HB3 63 VAL HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 940, 955, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 62 PHE HN 62 PHE QD 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 943, 951,
&end
#
# 62 PHE HN 63 VAL QG2 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 965, 966, 967,
&end
#
# 62 PHE QB 63 VAL HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 939, 940,
&end
#
# 62 PHE QD 62 PHE HZ 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 943, 951,
&end
#
# 62 PHE QD 63 VAL HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 943, 951,
&end
#
# 62 PHE QD 92 ALA QB 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 943, 951,
igr2=1407,1408,1409,
&end
#
# 62 PHE QE 92 ALA HA 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 945, 949,
&end
#
# 62 PHE QE 92 ALA QB 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= 945, 949,
igr2=1407,1408,1409,
&end
#
# 63 VAL HA 63 VAL QG1 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 961, 962, 963,
&end
#
# 63 VAL HA 63 VAL QG2 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 965, 966, 967,
&end
#
# 63 VAL HB 64 THR HN 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= 959, 971, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 63 VAL HN 63 VAL HB 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 955, 959, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 63 VAL HN 63 VAL QG1 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 961, 962, 963,
&end
#
# 63 VAL HN 63 VAL QG2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 965, 966, 967,
&end
#
# 63 VAL QG1 64 THR HA 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 961, 962, 963,
&end
#
# 63 VAL QG1 64 THR HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 961, 962, 963,
&end
#
# 63 VAL QG1 65 MET HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 961, 962, 963,
&end
#
# 63 VAL QG1 65 MET HB3 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 961, 962, 963,
&end
#
# 63 VAL QG1 65 MET HG3 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 961, 962, 963,
&end
#
# 63 VAL QG1 65 MET HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 961, 962, 963,
&end
#
# 63 VAL QG1 65 MET QE 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= 961, 962, 963,
igr2= 996, 997, 998,
&end
#
# 63 VAL QG1 74 ALA QB 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 961, 962, 963,
igr2=1134,1135,1136,
&end
#
# 63 VAL QG2 64 THR HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 965, 966, 967,
&end
#
# 63 VAL QG2 74 ALA QB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 965, 966, 967,
igr2=1134,1135,1136,
&end
#
# 64 THR HA 64 THR QG2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 977, 978, 979,
&end
#
# 64 THR HA 65 MET HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 973, 993, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 THR HA 65 MET HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 973, 985, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 64 THR HA 71 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1085,1086,1087,
&end
#
# 64 THR HN 64 THR HB 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 971, 975, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 64 THR HN 64 THR QG2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 977, 978, 979,
&end
#
# 64 THR QG2 65 MET HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 977, 978, 979,
&end
#
# 64 THR QG2 66 LYS+ HA 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 977, 978, 979,
&end
#
# 65 MET HA 65 MET QE 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 996, 997, 998,
&end
#
# 65 MET HA 66 LYS+ HB2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 987,1006, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 65 MET HA 66 LYS+ HN 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 987,1002, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 65 MET HA 67 ASP- HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 987,1024, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 65 MET HB2 65 MET QE 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 996, 997, 998,
&end
#
# 65 MET HB2 66 LYS+ HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 989,1002, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 65 MET HB2 67 ASP- HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 989,1024, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 65 MET HB2 71 ALA HA 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 989,1083, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 65 MET HB2 71 ALA HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 989,1081, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 65 MET HB2 71 ALA QB 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1085,1086,1087,
&end
#
# 65 MET HB3 65 MET QE 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 996, 997, 998,
&end
#
# 65 MET HB3 66 LYS+ HN 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 990,1002, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 65 MET HB3 67 ASP- HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 990,1024, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 65 MET HB3 70 SER HB2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 990,1074, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 65 MET HB3 70 SER HB3 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 990,1075, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 65 MET HB3 70 SER QB 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1074,1075,
&end
#
# 65 MET HB3 71 ALA HA 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 990,1083, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 65 MET HB3 71 ALA HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 990,1081, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 65 MET HB3 71 ALA QB 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1085,1086,1087,
&end
#
# 65 MET HB3 74 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1134,1135,1136,
&end
#
# 65 MET HG2 71 ALA HA 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 992,1083, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 65 MET HG2 71 ALA QB 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1085,1086,1087,
&end
#
# 65 MET HG3 65 MET QE 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 996, 997, 998,
&end
#
# 65 MET HG3 71 ALA HA 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 993,1083, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 65 MET HG3 71 ALA HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 993,1081, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 65 MET HG3 71 ALA QB 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1085,1086,1087,
&end
#
# 65 MET HG3 74 ALA QB 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1134,1135,1136,
&end
#
# 65 MET HN 65 MET HB3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 985, 990, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 65 MET HN 65 MET HG2 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 985, 992, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 65 MET HN 65 MET HG3 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 985, 993, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 65 MET QE 66 LYS+ HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 996, 997, 998,
&end
#
# 65 MET QE 67 ASP- HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 996, 997, 998,
&end
#
# 65 MET QE 70 SER HA 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 996, 997, 998,
&end
#
# 65 MET QE 70 SER HB2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 996, 997, 998,
&end
#
# 65 MET QE 70 SER HB3 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 996, 997, 998,
&end
#
# 65 MET QE 70 SER HN 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 996, 997, 998,
&end
#
# 65 MET QE 70 SER QB 1.80 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 996, 997, 998,
igr2=1074,1075,
&end
#
# 65 MET QE 71 ALA HA 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1083, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 996, 997, 998,
&end
#
# 65 MET QE 71 ALA HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 996, 997, 998,
&end
#
# 65 MET QE 74 ALA QB 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= 996, 997, 998,
igr2=1134,1135,1136,
&end
#
# 66 LYS+ HA 66 LYS+ QE 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1015,1016,
&end
#
# 66 LYS+ HA 66 LYS+ QG 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1009,1010,
&end
#
# 66 LYS+ HB2 67 ASP- HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1006,1024, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 66 LYS+ HB3 66 LYS+ QE 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1015,1016,
&end
#
# 66 LYS+ HB3 67 ASP- HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=1007,1024, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 66 LYS+ HB3 67 ASP- QB 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1028,1029,
&end
#
# 66 LYS+ HN 66 LYS+ HB2 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1002,1006, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 66 LYS+ HN 66 LYS+ HB3 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1002,1007, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 66 LYS+ HN 66 LYS+ QG 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1009,1010,
&end
#
# 66 LYS+ HN 67 ASP- HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1002,1024, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 66 LYS+ QG 66 LYS+ QE 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1009,1010,
igr2=1015,1016,
&end
#
# 66 LYS+ QG 67 ASP- HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1009,1010,
&end
#
# 67 ASP- HB2 68 ARG+ HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1028,1036, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 67 ASP- HB2 69 ALA HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1028,1060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ASP- HB2 69 ALA QB 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1064,1065,1066,
&end
#
# 67 ASP- HB3 68 ARG+ HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1029,1036, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 67 ASP- HB3 69 ALA HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1029,1060, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ASP- HB3 69 ALA QB 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1064,1065,1066,
&end
#
# 67 ASP- HN 67 ASP- HB2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1024,1028, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 67 ASP- HN 67 ASP- HB3 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1024,1029, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 67 ASP- HN 67 ASP- QB 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1028,1029,
&end
#
# 67 ASP- HN 70 SER HB2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1024,1074, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 67 ASP- HN 70 SER HB3 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1024,1075, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 67 ASP- HN 70 SER QB 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1074,1075,
&end
#
# 67 ASP- QB 68 ARG+ HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1=1028,1029,
&end
#
# 67 ASP- QB 69 ALA HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1028,1029,
&end
#
# 67 ASP- QB 69 ALA QB 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1028,1029,
igr2=1064,1065,1066,
&end
#
# 67 ASP- QB 70 SER QB 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1028,1029,
igr2=1074,1075,
&end
#
# 68 ARG+ HA 68 ARG+ HG2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1038,1043, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 68 ARG+ HA 68 ARG+ HG3 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1038,1044, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 68 ARG+ HA 68 ARG+ QD 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1046,1047,
&end
#
# 68 ARG+ HA 68 ARG+ QG 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1043,1044,
&end
#
# 68 ARG+ HA 69 ALA QB 1.80 5.49
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1064,1065,1066,
&end
#
# 68 ARG+ HN 68 ARG+ HB2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=1036,1040, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 68 ARG+ HN 68 ARG+ HB3 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=1036,1041, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 68 ARG+ HN 68 ARG+ HG2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat=1036,1043, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 68 ARG+ HN 68 ARG+ HG3 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat=1036,1044, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 68 ARG+ HN 68 ARG+ QB 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1040,1041,
&end
#
# 68 ARG+ HN 68 ARG+ QG 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1043,1044,
&end
#
# 68 ARG+ QB 68 ARG+ QD 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=1040,1041,
igr2=1046,1047,
&end
#
# 68 ARG+ QB 69 ALA HA 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1040,1041,
&end
#
# 68 ARG+ QB 69 ALA HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1040,1041,
&end
#
# 68 ARG+ QB 70 SER HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1040,1041,
&end
#
# 69 ALA HA 72 GLU- HG2 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1062,1098, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 69 ALA HA 72 GLU- HG3 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1062,1099, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 69 ALA HA 72 GLU- HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1062,1091, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 69 ALA HA 72 GLU- QB 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1095,1096,
&end
#
# 69 ALA HA 72 GLU- QG 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1098,1099,
&end
#
# 69 ALA HN 69 ALA QB 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1064,1065,1066,
&end
#
# 69 ALA HN 70 SER HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1060,1070, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 69 ALA HN 71 ALA HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1060,1081, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 69 ALA QB 70 SER HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1064,1065,1066,
&end
#
# 69 ALA QB 70 SER QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1064,1065,1066,
igr2=1074,1075,
&end
#
# 69 ALA QB 72 GLU- QB 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=1064,1065,1066,
igr2=1095,1096,
&end
#
# 69 ALA QB 72 GLU- QG 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=1064,1065,1066,
igr2=1098,1099,
&end
#
# 70 SER HA 73 ARG+ QB 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=1110,1111,
&end
#
# 70 SER HA 73 ARG+ QD 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1116,1117,
&end
#
# 70 SER HB2 71 ALA HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1074,1081, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 70 SER HB3 71 ALA HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1075,1081, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 70 SER HN 70 SER HB2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1070,1074, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 70 SER HN 70 SER HB3 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1070,1075, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 70 SER HN 70 SER QB 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2=1074,1075,
&end
#
# 70 SER HN 71 ALA HN 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat=1070,1081, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 70 SER QB 71 ALA HN 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1081, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1074,1075,
&end
#
# 71 ALA HA 74 ALA HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1083,1130, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 71 ALA HA 74 ALA QB 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat=1083, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1134,1135,1136,
&end
#
# 71 ALA HN 71 ALA QB 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1085,1086,1087,
&end
#
# 71 ALA HN 72 GLU- HA 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat=1081,1093, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 71 ALA HN 72 GLU- HN 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1081,1091, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 71 ALA QB 72 GLU- HA 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1085,1086,1087,
&end
#
# 71 ALA QB 72 GLU- HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1091, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1085,1086,1087,
&end
#
# 71 ALA QB 72 GLU- QG 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=1085,1086,1087,
igr2=1098,1099,
&end
#
# 71 ALA QB 74 ALA HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1085,1086,1087,
&end
#
# 71 ALA QB 91 LEU QD2 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=1085,1086,1087,
igr2=1397,1398,1399,
&end
#
# 72 GLU- HA 72 GLU- HG2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1093,1098, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 72 GLU- HA 72 GLU- HG3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1093,1099, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 72 GLU- HA 72 GLU- QG 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1098,1099,
&end
#
# 72 GLU- HA 74 ALA HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat=1093,1130, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 72 GLU- HA 75 CYS HB2 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat=1093,1144, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 72 GLU- HA 75 CYS HB3 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1093,1145, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 72 GLU- HA 75 CYS HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat=1093,1140, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 72 GLU- HG2 73 ARG+ HN 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat=1098,1106, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 72 GLU- HG3 73 ARG+ HN 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat=1099,1106, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 72 GLU- HN 72 GLU- HB2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1091,1095, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 72 GLU- HN 72 GLU- HB3 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1091,1096, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 72 GLU- HN 72 GLU- HG2 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1091,1098, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 72 GLU- HN 72 GLU- HG3 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1091,1099, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 72 GLU- HN 72 GLU- QG 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2=1098,1099,
&end
#
# 72 GLU- HN 73 ARG+ HN 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1091,1106, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 72 GLU- QB 73 ARG+ HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=1095,1096,
&end
#
# 72 GLU- QG 73 ARG+ HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1098,1099,
&end
#
# 73 ARG+ HA 73 ARG+ HD2 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1108,1116, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 73 ARG+ HA 73 ARG+ HD3 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1108,1117, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 73 ARG+ HA 73 ARG+ HG2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1108,1113, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 73 ARG+ HA 73 ARG+ HG3 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1108,1114, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 73 ARG+ HA 73 ARG+ QG 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1113,1114,
&end
#
# 73 ARG+ HA 74 ALA HA 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat=1108,1132, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 73 ARG+ HA 75 CYS HN 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat=1108,1140, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 73 ARG+ HA 76 LYS+ HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1108,1151, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 73 ARG+ HA 76 LYS+ QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1155,1156,
&end
#
# 73 ARG+ HA 76 LYS+ QE 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1164,1165,
&end
#
# 73 ARG+ HA 76 LYS+ QG 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1158,1159,
&end
#
# 73 ARG+ HB2 74 ALA HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1110,1130, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 73 ARG+ HB3 74 ALA HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1111,1130, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 73 ARG+ HN 73 ARG+ HD2 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat=1106,1116, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 73 ARG+ HN 73 ARG+ HD3 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat=1106,1117, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 73 ARG+ HN 73 ARG+ HG2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1106,1113, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 73 ARG+ HN 73 ARG+ HG3 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1106,1114, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 73 ARG+ HN 73 ARG+ QB 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1110,1111,
&end
#
# 73 ARG+ HN 73 ARG+ QD 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1116,1117,
&end
#
# 73 ARG+ HN 73 ARG+ QG 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1113,1114,
&end
#
# 73 ARG+ QB 73 ARG+ QD 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1110,1111,
igr2=1116,1117,
&end
#
# 74 ALA HA 76 LYS+ HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat=1132,1151, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 74 ALA HN 74 ALA QB 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1134,1135,1136,
&end
#
# 74 ALA HN 75 CYS HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1130,1140, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 74 ALA QB 75 CYS HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1134,1135,1136,
&end
#
# 74 ALA QB 76 LYS+ HN 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1134,1135,1136,
&end
#
# 75 CYS HA 75 CYS HG 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1142,1147, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 75 CYS HA 89 VAL QG1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1360,1361,1362,
&end
#
# 75 CYS HB2 76 LYS+ HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1144,1153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 CYS HB2 76 LYS+ HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat=1144,1151, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 75 CYS HB2 89 VAL QG1 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1360,1361,1362,
&end
#
# 75 CYS HB3 76 LYS+ HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1145,1151, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 75 CYS HB3 89 VAL QG1 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1360,1361,1362,
&end
#
# 75 CYS HG 76 LYS+ HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat=1147,1151, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 75 CYS HN 75 CYS HB2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1140,1144, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 75 CYS HN 75 CYS HB3 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1140,1145, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 75 CYS HN 75 CYS HG 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1140,1147, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 75 CYS HN 76 LYS+ HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat=1140,1151, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 76 LYS+ HA 76 LYS+ QD 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1161,1162,
&end
#
# 76 LYS+ HA 76 LYS+ QE 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1164,1165,
&end
#
# 76 LYS+ HA 76 LYS+ QG 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1158,1159,
&end
#
# 76 LYS+ HA 77 ASP- QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1177,1178,
&end
#
# 76 LYS+ HB2 77 ASP- HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1155,1173, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 76 LYS+ HB3 77 ASP- HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1156,1173, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 76 LYS+ HN 76 LYS+ HB2 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1151,1155, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 76 LYS+ HN 76 LYS+ HB3 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1151,1156, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 76 LYS+ HN 76 LYS+ QB 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1155,1156,
&end
#
# 76 LYS+ HN 76 LYS+ QD 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1161,1162,
&end
#
# 76 LYS+ HN 76 LYS+ QG 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1158,1159,
&end
#
# 76 LYS+ HN 77 ASP- HN 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat=1151,1173, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 76 LYS+ HN 77 ASP- QB 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1177,1178,
&end
#
# 76 LYS+ QG 76 LYS+ QE 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1158,1159,
igr2=1164,1165,
&end
#
# 76 LYS+ QG 77 ASP- HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1158,1159,
&end
#
# 77 ASP- HA 78 PRO HD2 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1175,1186, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 77 ASP- HA 78 PRO HD3 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1175,1187, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 77 ASP- HA 78 PRO QG 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1189,1190,
&end
#
# 77 ASP- HA 79 ASN HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1175,1199, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 77 ASP- HN 77 ASP- HB2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1173,1177, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 77 ASP- HN 77 ASP- HB3 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1173,1178, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 77 ASP- HN 77 ASP- QB 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1177,1178,
&end
#
# 77 ASP- QB 78 PRO QD 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=1177,1178,
igr2=1186,1187,
&end
#
# 78 PRO HA 78 PRO QG 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1189,1190,
&end
#
# 78 PRO HA 88 ASN HA 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1195,1342, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 78 PRO HA 89 VAL HB 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1195,1358, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 78 PRO HA 89 VAL HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1195,1354, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 78 PRO HA 89 VAL QG2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1364,1365,1366,
&end
#
# 78 PRO HB2 79 ASN HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat=1192,1199, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 78 PRO HB2 89 VAL HN 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat=1192,1354, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 78 PRO HB3 79 ASN HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat=1193,1199, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 78 PRO HB3 89 VAL HN 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat=1193,1354, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 78 PRO HD2 78 PRO HB2 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1186,1192, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 78 PRO HD2 78 PRO HB3 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1186,1193, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 78 PRO HD2 78 PRO QG 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1189,1190,
&end
#
# 78 PRO HD2 79 ASN HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1186,1199, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 78 PRO HD3 78 PRO HB2 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1187,1192, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 78 PRO HD3 78 PRO HB3 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1187,1193, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 78 PRO HD3 78 PRO QG 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat=1187, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1189,1190,
&end
#
# 78 PRO HD3 79 ASN HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1187,1199, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 78 PRO QB 79 ASN HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=1192,1193,
&end
#
# 78 PRO QB 89 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=1192,1193,
igr2=1364,1365,1366,
&end
#
# 78 PRO QD 78 PRO QB 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=1186,1187,
igr2=1192,1193,
&end
#
# 78 PRO QD 79 ASN HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1186,1187,
&end
#
# 78 PRO QG 79 ASN HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1189,1190,
&end
#
# 79 ASN HA 79 ASN HD21 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1201,1208, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 79 ASN HA 79 ASN HD22 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1201,1209, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 79 ASN HA 79 ASN QD2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1208,1209,
&end
#
# 79 ASN HA 80 PRO HD2 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1201,1214, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 79 ASN HA 80 PRO HD3 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1201,1215, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 79 ASN HA 80 PRO HG2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=1201,1217, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 79 ASN HA 80 PRO HG3 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1201,1218, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 79 ASN HA 81 ILE HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1201,1227, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 79 ASN HA 86 LYS+ QD 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1318,1319,
&end
#
# 79 ASN HA 86 LYS+ QG 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1315,1316,
&end
#
# 79 ASN HA 87 ALA HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat=1201,1330, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 79 ASN HA 88 ASN HA 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1201,1342, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 79 ASN HA 89 VAL QG2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1364,1365,1366,
&end
#
# 79 ASN HB2 81 ILE QD1 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1240,1241,1242,
&end
#
# 79 ASN HB2 86 LYS+ QD 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1318,1319,
&end
#
# 79 ASN HB2 86 LYS+ QG 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1315,1316,
&end
#
# 79 ASN HB3 81 ILE QD1 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1240,1241,1242,
&end
#
# 79 ASN HB3 86 LYS+ QD 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1318,1319,
&end
#
# 79 ASN HB3 86 LYS+ QG 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1315,1316,
&end
#
# 79 ASN HD21 86 LYS+ QD 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1318,1319,
&end
#
# 79 ASN HD21 86 LYS+ QE 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1321,1322,
&end
#
# 79 ASN HD21 88 ASN HA 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1208,1342, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 79 ASN HD22 86 LYS+ QD 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1318,1319,
&end
#
# 79 ASN HD22 86 LYS+ QE 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1321,1322,
&end
#
# 79 ASN HD22 88 ASN HA 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1209,1342, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 79 ASN HN 79 ASN HB2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1199,1203, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 79 ASN HN 79 ASN HB3 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1199,1204, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 79 ASN HN 79 ASN QB 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1203,1204,
&end
#
# 79 ASN HN 80 PRO HD2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1199,1214, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 79 ASN HN 80 PRO HD3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1199,1215, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 79 ASN HN 89 VAL QG2 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1364,1365,1366,
&end
#
# 79 ASN QB 80 PRO HA 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1203,1204,
&end
#
# 79 ASN QB 81 ILE HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1203,1204,
&end
#
# 79 ASN QB 81 ILE QD1 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1203,1204,
igr2=1240,1241,1242,
&end
#
# 79 ASN QB 86 LYS+ QD 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1203,1204,
igr2=1318,1319,
&end
#
# 79 ASN QB 86 LYS+ QE 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1203,1204,
igr2=1321,1322,
&end
#
# 79 ASN QB 86 LYS+ QG 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=1203,1204,
igr2=1315,1316,
&end
#
# 79 ASN QD2 86 LYS+ QD 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1208,1209,
igr2=1318,1319,
&end
#
# 79 ASN QD2 86 LYS+ QG 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1208,1209,
igr2=1315,1316,
&end
#
# 79 ASN QD2 88 ASN HA 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1208,1209,
&end
#
# 80 PRO HA 81 ILE HB 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat=1223,1231, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 80 PRO HA 81 ILE HG13 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat=1223,1238, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 80 PRO HA 81 ILE HN 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=1223,1227, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 80 PRO HA 81 ILE QD1 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1240,1241,1242,
&end
#
# 80 PRO HB2 81 ILE HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1220,1227, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 80 PRO HB2 81 ILE QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1220, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1240,1241,1242,
&end
#
# 80 PRO HB2 82 ILE HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1220,1250, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 PRO HB2 82 ILE QD1 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1220, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1259,1260,1261,
&end
#
# 80 PRO HB2 82 ILE QG1 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat=1220, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1256,1257,
&end
#
# 80 PRO HB2 87 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1220, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1334,1335,1336,
&end
#
# 80 PRO HB3 81 ILE HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=1221,1227, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 80 PRO HB3 82 ILE QD1 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1259,1260,1261,
&end
#
# 80 PRO HB3 82 ILE QG1 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1256,1257,
&end
#
# 80 PRO HB3 89 VAL QG2 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1364,1365,1366,
&end
#
# 80 PRO HD2 80 PRO HB2 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat=1214,1220, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 80 PRO HD2 80 PRO HB3 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat=1214,1221, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 80 PRO HD2 80 PRO HG2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1214,1217, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 80 PRO HD2 80 PRO HG3 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat=1214,1218, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 80 PRO HD2 87 ALA HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat=1214,1330, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 80 PRO HD2 87 ALA QB 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1334,1335,1336,
&end
#
# 80 PRO HD2 88 ASN HA 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat=1214,1342, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 80 PRO HD2 89 VAL HB 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat=1214,1358, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 80 PRO HD2 89 VAL QG2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1364,1365,1366,
&end
#
# 80 PRO HD3 80 PRO HB2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1215,1220, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 80 PRO HD3 80 PRO HB3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1215,1221, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 80 PRO HD3 80 PRO HG2 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1215,1217, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 80 PRO HD3 80 PRO HG3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1215,1218, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 80 PRO HD3 87 ALA HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1215,1330, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 80 PRO HD3 87 ALA QB 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1334,1335,1336,
&end
#
# 80 PRO HD3 88 ASN HA 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat=1215,1342, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 80 PRO HD3 89 VAL HB 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1215,1358, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 80 PRO HD3 89 VAL HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1215,1354, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 PRO HD3 89 VAL QG2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1215, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1364,1365,1366,
&end
#
# 80 PRO HG2 81 ILE HN 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1217,1227, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 80 PRO HG2 82 ILE HG12 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1217,1256, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 PRO HG2 82 ILE HG13 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1217,1257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 PRO HG2 82 ILE QD1 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1259,1260,1261,
&end
#
# 80 PRO HG2 82 ILE QG1 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1256,1257,
&end
#
# 80 PRO HG2 87 ALA QB 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1334,1335,1336,
&end
#
# 80 PRO HG2 89 VAL QG2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1364,1365,1366,
&end
#
# 80 PRO HG3 81 ILE HN 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat=1218,1227, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 80 PRO HG3 82 ILE QD1 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1259,1260,1261,
&end
#
# 80 PRO HG3 82 ILE QG1 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1256,1257,
&end
#
# 80 PRO HG3 87 ALA QB 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1334,1335,1336,
&end
#
# 80 PRO HG3 89 VAL QG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1364,1365,1366,
&end
#
# 81 ILE HA 81 ILE HG12 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1229,1237, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 81 ILE HA 81 ILE HG13 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1229,1238, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 81 ILE HA 81 ILE QD1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1240,1241,1242,
&end
#
# 81 ILE HA 81 ILE QG2 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2=1233,1234,1235,
&end
#
# 81 ILE HA 82 ILE HN 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=1229,1246, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 81 ILE HA 86 LYS+ QG 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1315,1316,
&end
#
# 81 ILE HA 87 ALA HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1229,1330, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 81 ILE HA 87 ALA QB 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat=1229, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1334,1335,1336,
&end
#
# 81 ILE HB 81 ILE QD1 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat=1231, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1240,1241,1242,
&end
#
# 81 ILE HB 82 ILE HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1231,1246, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 81 ILE HB 85 ARG+ HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat=1231,1284, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 81 ILE HG12 82 ILE HN 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat=1237,1246, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 81 ILE HG12 86 LYS+ QG 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1315,1316,
&end
#
# 81 ILE HG12 87 ALA HN 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat=1237,1330, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 81 ILE HN 81 ILE HB 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1227,1231, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 81 ILE HN 81 ILE HG12 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1227,1237, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 81 ILE HN 81 ILE HG13 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1227,1238, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 81 ILE HN 81 ILE QD1 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1240,1241,1242,
&end
#
# 81 ILE HN 81 ILE QG2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1233,1234,1235,
&end
#
# 81 ILE QD1 85 ARG+ HA 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1240,1241,1242,
&end
#
# 81 ILE QD1 86 LYS+ HA 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1310, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1240,1241,1242,
&end
#
# 81 ILE QD1 86 LYS+ HB2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1240,1241,1242,
&end
#
# 81 ILE QD1 86 LYS+ HB3 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1240,1241,1242,
&end
#
# 81 ILE QD1 86 LYS+ HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1308, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1240,1241,1242,
&end
#
# 81 ILE QD1 86 LYS+ QB 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=1240,1241,1242,
igr2=1312,1313,
&end
#
# 81 ILE QD1 86 LYS+ QD 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=1240,1241,1242,
igr2=1318,1319,
&end
#
# 81 ILE QD1 86 LYS+ QE 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1240,1241,1242,
igr2=1321,1322,
&end
#
# 81 ILE QD1 86 LYS+ QG 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=1240,1241,1242,
igr2=1315,1316,
&end
#
# 81 ILE QD1 87 ALA HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1240,1241,1242,
&end
#
# 81 ILE QG2 81 ILE HG12 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1233,1234,1235,
&end
#
# 81 ILE QG2 81 ILE HG13 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1233,1234,1235,
&end
#
# 81 ILE QG2 81 ILE QD1 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1233,1234,1235,
igr2=1240,1241,1242,
&end
#
# 81 ILE QG2 82 ILE HA 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1233,1234,1235,
&end
#
# 81 ILE QG2 82 ILE HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1233,1234,1235,
&end
#
# 81 ILE QG2 84 GLY HA2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1233,1234,1235,
&end
#
# 81 ILE QG2 84 GLY HA3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1233,1234,1235,
&end
#
# 81 ILE QG2 84 GLY HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1233,1234,1235,
&end
#
# 81 ILE QG2 84 GLY QA 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=1233,1234,1235,
igr2=1279,1280,
&end
#
# 81 ILE QG2 85 ARG+ HA 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1233,1234,1235,
&end
#
# 81 ILE QG2 85 ARG+ HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1233,1234,1235,
&end
#
# 81 ILE QG2 87 ALA HN 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1233,1234,1235,
&end
#
# 82 ILE HA 82 ILE HG12 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1248,1256, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 82 ILE HA 82 ILE HG13 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1248,1257, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 82 ILE HA 82 ILE QD1 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1259,1260,1261,
&end
#
# 82 ILE HA 82 ILE QG1 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1256,1257,
&end
#
# 82 ILE HA 82 ILE QG2 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1252,1253,1254,
&end
#
# 82 ILE HA 83 ASP- HA 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1248,1267, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 82 ILE HA 83 ASP- HB2 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat=1248,1269, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 82 ILE HA 83 ASP- HN 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat=1248,1265, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 82 ILE HA 84 GLY HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat=1248,1277, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 82 ILE HB 82 ILE QD1 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1259,1260,1261,
&end
#
# 82 ILE HB 83 ASP- HB2 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1250,1269, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 82 ILE HB 83 ASP- HN 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat=1250,1265, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 82 ILE HG12 83 ASP- HN 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat=1256,1265, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 82 ILE HG13 83 ASP- HN 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat=1257,1265, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 82 ILE HN 82 ILE HB 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1246,1250, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 82 ILE HN 82 ILE HG12 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat=1246,1256, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 82 ILE HN 82 ILE HG13 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat=1246,1257, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 82 ILE HN 82 ILE QD1 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1259,1260,1261,
&end
#
# 82 ILE HN 82 ILE QG1 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1256,1257,
&end
#
# 82 ILE HN 82 ILE QG2 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1252,1253,1254,
&end
#
# 82 ILE HN 85 ARG+ HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1246,1284, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 82 ILE HN 87 ALA HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1246,1330, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 82 ILE HN 87 ALA QB 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1334,1335,1336,
&end
#
# 82 ILE QD1 87 ALA HN 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1259,1260,1261,
&end
#
# 82 ILE QD1 87 ALA QB 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=1259,1260,1261,
igr2=1334,1335,1336,
&end
#
# 82 ILE QD1 88 ASN HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1259,1260,1261,
&end
#
# 82 ILE QD1 89 VAL QG2 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1259,1260,1261,
igr2=1364,1365,1366,
&end
#
# 82 ILE QG1 83 ASP- HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1256,1257,
&end
#
# 82 ILE QG2 82 ILE HG12 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1252,1253,1254,
&end
#
# 82 ILE QG2 82 ILE HG13 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1252,1253,1254,
&end
#
# 82 ILE QG2 82 ILE QD1 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1252,1253,1254,
igr2=1259,1260,1261,
&end
#
# 82 ILE QG2 82 ILE QG1 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1252,1253,1254,
igr2=1256,1257,
&end
#
# 82 ILE QG2 83 ASP- HA 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1267, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1252,1253,1254,
&end
#
# 82 ILE QG2 83 ASP- HB2 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1269, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1252,1253,1254,
&end
#
# 82 ILE QG2 83 ASP- HB3 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1252,1253,1254,
&end
#
# 82 ILE QG2 83 ASP- HN 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1252,1253,1254,
&end
#
# 82 ILE QG2 85 ARG+ HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1252,1253,1254,
&end
#
# 82 ILE QG2 87 ALA QB 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1=1252,1253,1254,
igr2=1334,1335,1336,
&end
#
# 83 ASP- HA 84 GLY HN 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat=1267,1277, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 83 ASP- HA 84 GLY QA 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1279,1280,
&end
#
# 83 ASP- HB3 85 ARG+ HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1270,1284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ASP- HB3 85 ARG+ QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1288,1289,
&end
#
# 83 ASP- HN 84 GLY HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1265,1277, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 84 GLY HN 85 ARG+ HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=1277,1284, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 85 ARG+ HA 85 ARG+ HG2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1286,1291, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 85 ARG+ HA 85 ARG+ HG3 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1286,1292, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 85 ARG+ HA 85 ARG+ QG 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1291,1292,
&end
#
# 85 ARG+ HA 86 LYS+ HN 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1286,1308, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 85 ARG+ HA 86 LYS+ QB 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1312,1313,
&end
#
# 85 ARG+ HB2 86 LYS+ HN 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat=1288,1308, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 85 ARG+ HB3 86 LYS+ HN 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat=1289,1308, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 85 ARG+ HN 85 ARG+ QB 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1288,1289,
&end
#
# 85 ARG+ QG 86 LYS+ HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1308, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1291,1292,
&end
#
# 86 LYS+ HA 86 LYS+ QE 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat=1310, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1321,1322,
&end
#
# 86 LYS+ HA 86 LYS+ QG 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat=1310, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1315,1316,
&end
#
# 86 LYS+ HA 87 ALA HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat=1310,1330, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 86 LYS+ HA 87 ALA QB 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1310, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1334,1335,1336,
&end
#
# 86 LYS+ HB2 86 LYS+ QE 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1321,1322,
&end
#
# 86 LYS+ HB2 87 ALA HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=1312,1330, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 86 LYS+ HB3 86 LYS+ QE 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1321,1322,
&end
#
# 86 LYS+ HB3 87 ALA HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=1313,1330, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 86 LYS+ HN 86 LYS+ HB2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1308,1312, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 LYS+ HN 86 LYS+ HB3 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1308,1313, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 LYS+ HN 86 LYS+ QB 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=1312,1313,
&end
#
# 86 LYS+ HN 86 LYS+ QD 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1318,1319,
&end
#
# 86 LYS+ HN 86 LYS+ QE 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1321,1322,
&end
#
# 86 LYS+ HN 86 LYS+ QG 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1308, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1315,1316,
&end
#
# 86 LYS+ QB 87 ALA HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1312,1313,
&end
#
# 86 LYS+ QD 86 LYS+ QE 1.80 2.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1318,1319,
igr2=1321,1322,
&end
#
# 86 LYS+ QD 87 ALA HN 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1318,1319,
&end
#
# 86 LYS+ QG 86 LYS+ QD 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=1315,1316,
igr2=1318,1319,
&end
#
# 86 LYS+ QG 86 LYS+ QE 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=1315,1316,
igr2=1321,1322,
&end
#
# 86 LYS+ QG 87 ALA HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1315,1316,
&end
#
# 87 ALA HA 88 ASN HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1332,1342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 ALA HA 88 ASN HN 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat=1332,1340, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 87 ALA HN 87 ALA QB 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1334,1335,1336,
&end
#
# 87 ALA QB 88 ASN HA 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1334,1335,1336,
&end
#
# 87 ALA QB 88 ASN HN 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1334,1335,1336,
&end
#
# 87 ALA QB 89 VAL QG2 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1334,1335,1336,
igr2=1364,1365,1366,
&end
#
# 88 ASN HA 89 VAL HB 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1342,1358, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 88 ASN HA 89 VAL HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat=1342,1354, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 88 ASN HA 89 VAL QG2 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1364,1365,1366,
&end
#
# 88 ASN HN 88 ASN HB2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1340,1344, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 88 ASN HN 88 ASN HB3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1340,1345, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 88 ASN HN 88 ASN QB 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1344,1345,
&end
#
# 88 ASN HN 88 ASN QD2 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1349,1350,
&end
#
# 88 ASN HN 89 VAL QG2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1364,1365,1366,
&end
#
# 88 ASN QB 88 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=1344,1345,
igr2=1349,1350,
&end
#
# 88 ASN QB 89 VAL HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1344,1345,
&end
#
# 89 VAL HA 89 VAL QG1 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1360,1361,1362,
&end
#
# 89 VAL HA 89 VAL QG2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1364,1365,1366,
&end
#
# 89 VAL HA 90 ASN HN 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat=1356,1370, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 89 VAL HB 90 ASN HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1358,1370, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 89 VAL HN 89 VAL HB 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1354,1358, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 89 VAL HN 89 VAL QG2 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1364,1365,1366,
&end
#
# 89 VAL QG1 90 ASN HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1360,1361,1362,
&end
#
# 90 ASN HB2 91 LEU HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1374,1384, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 90 ASN HB2 94 LEU QD1 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1443,1444,1445,
&end
#
# 90 ASN HB3 91 LEU HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1375,1384, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 90 ASN HB3 94 LEU QD1 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1443,1444,1445,
&end
#
# 90 ASN QB 91 LEU HN 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1374,1375,
&end
#
# 90 ASN QB 94 LEU HG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1374,1375,
&end
#
# 90 ASN QB 94 LEU QD1 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=1374,1375,
igr2=1443,1444,1445,
&end
#
# 90 ASN QB 94 LEU QD2 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=1374,1375,
igr2=1447,1448,1449,
&end
#
# 90 ASN QD2 94 LEU QB 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=1379,1380,
igr2=1438,1439,
&end
#
# 90 ASN QD2 94 LEU QD1 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1379,1380,
igr2=1443,1444,1445,
&end
#
# 91 LEU HA 91 LEU HG 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1386,1391, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 91 LEU HA 91 LEU QD1 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1393,1394,1395,
&end
#
# 91 LEU HA 91 LEU QD2 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1397,1398,1399,
&end
#
# 91 LEU HA 92 ALA HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1386,1403, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 91 LEU HA 92 ALA QB 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1407,1408,1409,
&end
#
# 91 LEU HB2 91 LEU QD1 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1393,1394,1395,
&end
#
# 91 LEU HB2 91 LEU QD2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1397,1398,1399,
&end
#
# 91 LEU HB2 93 TYR QD 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1421,1430,
&end
#
# 91 LEU HB2 93 TYR QE 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1423,1428,
&end
#
# 91 LEU HB2 94 LEU HG 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=1388,1441, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 91 LEU HB2 94 LEU QD1 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1443,1444,1445,
&end
#
# 91 LEU HB2 94 LEU QD2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1447,1448,1449,
&end
#
# 91 LEU HB3 91 LEU QD1 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1393,1394,1395,
&end
#
# 91 LEU HB3 91 LEU QD2 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1397,1398,1399,
&end
#
# 91 LEU HB3 93 TYR QD 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1421,1430,
&end
#
# 91 LEU HB3 93 TYR QE 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1423,1428,
&end
#
# 91 LEU HB3 94 LEU HG 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat=1389,1441, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 91 LEU HB3 94 LEU QD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1447,1448,1449,
&end
#
# 91 LEU HG 93 TYR QE 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat=1391, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1423,1428,
&end
#
# 91 LEU HN 91 LEU HB2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1384,1388, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 91 LEU HN 91 LEU HG 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1384,1391, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 91 LEU HN 91 LEU QD1 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1384, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1393,1394,1395,
&end
#
# 91 LEU HN 91 LEU QD2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1384, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1397,1398,1399,
&end
#
# 91 LEU HN 94 LEU QD1 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat=1384, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1443,1444,1445,
&end
#
# 91 LEU QD1 93 TYR QD 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1393,1394,1395,
igr2=1421,1430,
&end
#
# 91 LEU QD1 93 TYR QE 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=1393,1394,1395,
igr2=1423,1428,
&end
#
# 91 LEU QD2 92 ALA HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1397,1398,1399,
&end
#
# 91 LEU QD2 93 TYR QE 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=1397,1398,1399,
igr2=1423,1428,
&end
#
# 92 ALA HN 92 ALA HA 2.50 100.0
&rst
ixpk= 0, nxpk= 0, iat=1403,1405, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 92 ALA HN 92 ALA QB 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1407,1408,1409,
&end
#
# 92 ALA HN 93 TYR HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1403,1413, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 92 ALA HN 93 TYR HN 4.00 100.0
&rst
ixpk= 0, nxpk= 0, iat=1403,1413, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 92 ALA QB 93 TYR HA 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1415, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1407,1408,1409,
&end
#
# 92 ALA QB 93 TYR HB2 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1407,1408,1409,
&end
#
# 92 ALA QB 93 TYR HB3 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1418, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1407,1408,1409,
&end
#
# 92 ALA QB 93 TYR HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1407,1408,1409,
&end
#
# 92 ALA QB 93 TYR QB 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=1407,1408,1409,
igr2=1417,1418,
&end
#
# 93 TYR HA 93 TYR QD 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1421,1430,
&end
#
# 93 TYR HA 96 ALA HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1415,1460, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 93 TYR HA 96 ALA QB 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat=1415, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1464,1465,1466,
&end
#
# 93 TYR HB2 96 ALA QB 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1464,1465,1466,
&end
#
# 93 TYR HB3 96 ALA QB 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1464,1465,1466,
&end
#
# 93 TYR HN 93 TYR HB2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1413,1417, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 93 TYR HN 93 TYR HB3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1413,1418, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 93 TYR HN 93 TYR QB 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1417,1418,
&end
#
# 93 TYR HN 93 TYR QD 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1421,1430,
&end
#
# 93 TYR HN 93 TYR QE 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat=1413, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1423,1428,
&end
#
# 93 TYR HN 94 LEU HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1413,1434, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 93 TYR HN 94 LEU HN 4.00 100.0
&rst
ixpk= 0, nxpk= 0, iat=1413,1434, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 93 TYR QB 96 ALA QB 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1417,1418,
igr2=1464,1465,1466,
&end
#
# 93 TYR QD 94 LEU HA 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1421,1430,
&end
#
# 93 TYR QD 94 LEU HG 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1421,1430,
&end
#
# 93 TYR QD 94 LEU QD2 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=1421,1430,
igr2=1447,1448,1449,
&end
#
# 93 TYR QE 94 LEU HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1423,1428,
&end
#
# 93 TYR QE 94 LEU QD1 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=1423,1428,
igr2=1443,1444,1445,
&end
#
# 93 TYR QE 94 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=1423,1428,
igr2=1447,1448,1449,
&end
#
# 94 LEU HA 94 LEU QD1 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1443,1444,1445,
&end
#
# 94 LEU HA 94 LEU QD2 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2=1447,1448,1449,
&end
#
# 94 LEU HB2 94 LEU QD1 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1443,1444,1445,
&end
#
# 94 LEU HB2 94 LEU QD2 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1447,1448,1449,
&end
#
# 94 LEU HB2 95 GLY HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat=1438,1453, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 94 LEU HB3 94 LEU QD1 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1443,1444,1445,
&end
#
# 94 LEU HB3 94 LEU QD2 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1447,1448,1449,
&end
#
# 94 LEU HB3 95 GLY HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat=1439,1453, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 94 LEU HG 95 GLY HN 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat=1441,1453, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 94 LEU HN 94 LEU HG 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1434,1441, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 94 LEU HN 94 LEU QB 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1438,1439,
&end
#
# 94 LEU HN 94 LEU QD1 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1443,1444,1445,
&end
#
# 94 LEU HN 94 LEU QD2 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1447,1448,1449,
&end
#
# 94 LEU HN 95 GLY HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1434,1453, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 94 LEU HN 96 ALA QB 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1464,1465,1466,
&end
#
# 94 LEU QB 94 LEU QD2 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=1438,1439,
igr2=1447,1448,1449,
&end
#
# 94 LEU QB 95 GLY HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1438,1439,
&end
#
# 94 LEU QB 95 GLY QA 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1438,1439,
igr2=1455,1456,
&end
#
# 94 LEU QD2 95 GLY HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1447,1448,1449,
&end
#
# 95 GLY HN 96 ALA HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1453,1460, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 95 GLY HN 96 ALA QB 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1464,1465,1466,
&end
#
# 95 GLY QA 96 ALA QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1455,1456,
igr2=1464,1465,1466,
&end
#
# 96 ALA HA 97 LYS+ HA 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=1462,1472, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 96 ALA HA 97 LYS+ HN 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat=1462,1470, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 96 ALA HA 97 LYS+ QB 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1474,1475,
&end
#
# 96 ALA HA 97 LYS+ QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1480,1481,
&end
#
# 96 ALA HA 97 LYS+ QG 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1477,1478,
&end
#
# 96 ALA HN 96 ALA QB 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1464,1465,1466,
&end
#
# 96 ALA HN 97 LYS+ HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat=1460,1470, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 96 ALA QB 97 LYS+ HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1470, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1464,1465,1466,
&end
#
# 97 LYS+ HA 97 LYS+ QD 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1480,1481,
&end
#
# 97 LYS+ HA 97 LYS+ QG 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1477,1478,
&end
#
# 97 LYS+ HA 98 PRO HD2 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat=1472,1493, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 97 LYS+ HA 98 PRO HD3 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat=1472,1494, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 97 LYS+ HA 98 PRO QD 1.80 2.58
&rst
ixpk= 0, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr2=1493,1494,
&end
#
# 97 LYS+ HA 98 PRO QG 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1496,1497,
&end
#
# 97 LYS+ HN 97 LYS+ HB2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1470,1474, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 97 LYS+ HN 97 LYS+ HB3 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1470,1475, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 97 LYS+ HN 97 LYS+ HG2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1470,1477, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 97 LYS+ HN 97 LYS+ HG3 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1470,1478, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 97 LYS+ HN 97 LYS+ QB 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1474,1475,
&end
#
# 97 LYS+ HN 97 LYS+ QD 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1480,1481,
&end
#
# 97 LYS+ HN 97 LYS+ QG 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1477,1478,
&end
#
# 97 LYS+ HN 98 PRO HD2 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat=1470,1493, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 97 LYS+ HN 98 PRO HD3 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat=1470,1494, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 97 LYS+ QB 98 PRO QD 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=1474,1475,
igr2=1493,1494,
&end
#
# 97 LYS+ QD 98 PRO QD 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1480,1481,
igr2=1493,1494,
&end
#
# 97 LYS+ QG 98 PRO QD 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1477,1478,
igr2=1493,1494,
&end
#
# 98 PRO HA 98 PRO QB 1.80 2.57
&rst
ixpk= 0, nxpk= 0, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2=1499,1500,
&end
#
# 98 PRO HA 98 PRO QG 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1496,1497,
&end
#
# 98 PRO HA 99 ARG+ HN 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat=1502,1506, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 98 PRO HB2 99 ARG+ HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1499,1506, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 98 PRO HB3 99 ARG+ HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1500,1506, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 98 PRO HD2 98 PRO QG 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2=1496,1497,
&end
#
# 98 PRO HD3 98 PRO QG 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2=1496,1497,
&end
#
# 98 PRO QB 99 ARG+ HN 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1506, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1499,1500,
&end
#
# 98 PRO QD 98 PRO QB 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=1493,1494,
igr2=1499,1500,
&end
#
# 98 PRO QD 98 PRO QG 1.80 2.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1493,1494,
igr2=1496,1497,
&end
#
# 99 ARG+ HA 100 THR HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1508,1530, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 99 ARG+ HA 99 ARG+ QD 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1508, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1516,1517,
&end
#
# 99 ARG+ HB2 99 ARG+ QD 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1516,1517,
&end
#
# 99 ARG+ HB3 99 ARG+ QD 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1516,1517,
&end
#
# 99 ARG+ HN 100 THR HA 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat=1506,1532, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 99 ARG+ HN 99 ARG+ HB2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1506,1510, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 99 ARG+ HN 99 ARG+ HB3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1506,1511, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 99 ARG+ HN 99 ARG+ QB 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat=1506, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1510,1511,
&end
#
# 99 ARG+ HN 99 ARG+ QG 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1506, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1513,1514,
&end
#
# 99 ARG+ QB 100 THR HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1510,1511,
&end
#
# 99 ARG+ QG 100 THR HN 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1513,1514,
&end
#
# 99 ARG+ QG 99 ARG+ QD 1.80 2.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=1513,1514,
igr2=1516,1517,
&end
#
# 100 THR HA 100 THR QG2 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1536,1537,1538,
&end
#
# 100 THR HN 100 THR HB 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1530,1534, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
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