NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
21039 |
2gzy   |
7108 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 10 SER HA 12 SER HN 3.60 (# 937:10 Unique 3.57, 3.61 A)
&rst
ixpk= 937, nxpk= 10, iat= 143, 172, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 10 SER HB+ 10 SER HN 3.50 (# 1022:10 Unique 2.85, 3.39 A)
&rst
ixpk= 1022, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 145, 146,
&end
#
# 13 ALA MB 10 SER HB+ 4.50 (# 2214:20 Unique 2.82, 4.92 A)
&rst
ixpk= 2214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 187, 188, 189,
igr2= 145, 146,
&end
#
# 14 GLU HB+ 10 SER HB+ 5.50 (# 2216:20 Unique 4.75, 5.77 A)
&rst
ixpk= 2216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 197, 198,
igr2= 145, 146,
&end
#
# 10 SER HB+ 14 GLU HG+ 4.50 (# 884:20 Unique 3.27, 4.17 A)
&rst
ixpk= 884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 145, 146,
igr2= 200, 201,
&end
#
# 6 ALA MB 10 SER HB+ 4.50 (# 2215:20 Unique 3.46, 5.48 A)
&rst
ixpk= 2215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 92, 93, 94,
igr2= 145, 146,
&end
#
# 10 SER HB+ 7 THR HN 5.50 (# 1517:10 Unique 3.48, 4.46 A)
&rst
ixpk= 1517, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 145, 146,
&end
#
# 10 SER HB- 10 SER HN 2.80 (# 1024:10 Unique 2.85, 3.39 A)
&rst
ixpk= 1024, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 145, 146,
&end
#
# 10 SER HB- 11 PHE HN 5.50 (# 1278:10 Unique 3.58, 4.08 A)
&rst
ixpk= 1278, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 145, 146,
&end
#
# 13 ALA MB 10 SER HB- 5.50 (# 2230:20 Unique 2.82, 4.92 A)
&rst
ixpk= 2230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 187, 188, 189,
igr2= 145, 146,
&end
#
# 10 SER HB- 14 GLU HG+ 4.50 (# 875:20 Unique 3.27, 4.17 A)
&rst
ixpk= 875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 145, 146,
igr2= 200, 201,
&end
#
# 10 SER HB- 7 THR HN 5.50 (# 1518:10 Unique 3.48, 4.46 A)
&rst
ixpk= 1518, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 145, 146,
&end
#
# 11 PHE HA 10 SER HN 5.50 (# 1516:10 Unique 4.32, 4.45 A)
&rst
ixpk= 1516, nxpk= 10, iat= 154, 141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE HB+ 10 SER HN 5.50 (# 1515:10 Unique 3.91, 4.17 A)
&rst
ixpk= 1515, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 156, 157,
&end
#
# 11 PHE HB- 10 SER HN 5.50 (# 1514:10 Unique 3.91, 4.17 A)
&rst
ixpk= 1514, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 156, 157,
&end
#
# 11 PHE HN 10 SER HN 2.80 (# 1019:10 Unique 1.93, 2.03 A)
&rst
ixpk= 1019, nxpk= 10, iat= 152, 141, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 10 SER HN 6 ALA MB 5.50 (# 2438:20 Unique 3.99, 5.41 A)
&rst
ixpk= 2438, nxpk= 20, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 92, 93, 94,
&end
#
# 10 SER HN 7 THR HN 2.90 (# 1222:10 Unique 2.81, 2.90 A)
&rst
ixpk= 1222, nxpk= 10, iat= 141, 98, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 8 ASP HN 10 SER HN 5.50 (# 1543:10 Unique 4.46, 4.58 A)
&rst
ixpk= 1543, nxpk= 10, iat= 112, 141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 GLN HA 10 SER HN 3.50 (# 1023:10 Unique 3.57, 3.59 A)
&rst
ixpk= 1023, nxpk= 10, iat= 126, 141, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 GLN HB+ 10 SER HN 2.80 (# 1026:10 Unique 2.54, 3.37 A)
&rst
ixpk= 1026, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 128, 129,
&end
#
# 9 GLN HN 10 SER HN 2.80 (# 1020:10 Unique 2.62, 2.68 A)
&rst
ixpk= 1020, nxpk= 10, iat= 124, 141, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 100 VAL HA 100 VAL HB 3.50 (# 2882:20 Unique 3.02, 3.04 A)
&rst
ixpk= 2882, nxpk= 20, iat=1520,1522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 VAL HA 100 VAL HN 2.80 (# 1109:10 Unique 2.82, 2.83 A)
&rst
ixpk= 1109, nxpk= 10, iat=1520,1518, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 100 VAL HA 100 VAL MGY 3.50 (# 1348:20 Unique 2.34, 3.15 A)
&rst
ixpk= 1348, nxpk= 20, iat=1520, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 100 VAL HA 101 ASN HN 4.50 (# 701:10 Unique 3.67, 3.68 A)
&rst
ixpk= 701, nxpk= 10, iat=1520,1534, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 VAL HA 102 LYS HN 5.50 (# 1492:10 Unique 4.28, 4.34 A)
&rst
ixpk= 1492, nxpk= 10, iat=1520,1548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 HIS HB+ 100 VAL HA 4.50 (# 69:20 Unique 2.34, 3.61 A)
&rst
ixpk= 69, nxpk= 20, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1574,1575,
&end
#
# 103 HIS HD2 100 VAL HA 4.50 (# 71:20 Unique 2.71, 3.22 A)
&rst
ixpk= 71, nxpk= 20, iat=1583,1520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 HIS HN 100 VAL HA 3.50 (# 73:20 Unique 3.08, 3.26 A)
&rst
ixpk= 73, nxpk= 20, iat=1570,1520, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 VAL HA 19 VAL MGY 5.50 (# 2528:20 Unique 4.27, 6.34 A)
&rst
ixpk= 2528, nxpk= 20, iat=1520, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 100 VAL HA 77 VAL MGX 3.50 (# 1228:20 Unique 4.00, 5.04 A)
&rst
ixpk= 1228, nxpk= 20, iat=1520, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 100 VAL HB 100 VAL HN 2.80 (# 1111:10 Unique 2.19, 2.31 A)
&rst
ixpk= 1111, nxpk= 10, iat=1522,1518, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 100 VAL MGX 100 VAL HB 2.80 (# 2886:20 Unique 2.39, 2.67 A)
&rst
ixpk= 2886, nxpk= 20, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 101 ASN HN 100 VAL HB 3.50 (# 2885:20 Unique 2.73, 2.84 A)
&rst
ixpk= 2885, nxpk= 20, iat=1534,1522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 GLN HA 100 VAL HB 4.50 (# 2883:20 Unique 2.18, 2.32 A)
&rst
ixpk= 2883, nxpk= 20, iat=1469,1522, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 VAL MGY 100 VAL HN 2.80 (# 1114:10 Unique 2.32, 3.88 A)
&rst
ixpk= 1114, nxpk= 10, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 101 ASN HB- 100 VAL HN 5.50 (# 1493:10 Unique 4.80, 5.60 A)
&rst
ixpk= 1493, nxpk= 10, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1538,1539,
&end
#
# 101 ASN HN 100 VAL HN 2.80 (# 1105:10 Unique 2.72, 2.80 A)
&rst
ixpk= 1105, nxpk= 10, iat=1534,1518, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 100 VAL HN 102 LYS HN 5.50 (# 899:10 Unique 4.08, 4.20 A)
&rst
ixpk= 899, nxpk= 10, iat=1518,1548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 VAL HN 46 MET ME 5.50 (# 2434:20 Unique 5.20, 6.38 A)
&rst
ixpk= 2434, nxpk= 20, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 684, 685, 686,
&end
#
# 97 GLN HA 100 VAL HN 4.50 (# 1110:10 Unique 2.98, 3.10 A)
&rst
ixpk= 1110, nxpk= 10, iat=1469,1518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 LEU HB+ 100 VAL HN 2.80 (# 1113:10 Unique 2.52, 3.03 A)
&rst
ixpk= 1113, nxpk= 10, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1503,1504,
&end
#
# 99 LEU HB- 100 VAL HN 3.50 (# 1112:10 Unique 2.52, 3.03 A)
&rst
ixpk= 1112, nxpk= 10, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1503,1504,
&end
#
# 99 LEU HN 100 VAL HN 2.80 (# 1107:10 Unique 2.71, 2.83 A)
&rst
ixpk= 1107, nxpk= 10, iat=1499,1518, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 100 VAL HN 99 LEU MDY 4.50 (# 2644:20 Unique 4.23, 5.52 A)
&rst
ixpk= 2644, nxpk= 20, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 100 VAL MGX 99 LEU HB- 4.50 (# 2996:20 Unique 3.21, 5.90 A)
&rst
ixpk= 2996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1524,1525,1526,1528,1529,1530,
igr2=1503,1504,
&end
#
# 101 ASN HA 100 VAL MGY 5.50 (# 1346:20 Unique 3.24, 5.49 A)
&rst
ixpk= 1346, nxpk= 20, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 100 VAL MGY 101 ASN HN 3.50 (# 706:10 Unique 3.23, 4.64 A)
&rst
ixpk= 706, nxpk= 10, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 96 LEU HA 100 VAL MGY 4.50 (# 1349:20 Unique 3.89, 6.35 A)
&rst
ixpk= 1349, nxpk= 20, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 97 GLN HA 100 VAL MGY 3.50 (# 1347:20 Unique 3.70, 4.45 A)
&rst
ixpk= 1347, nxpk= 20, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 97 GLN HN 100 VAL MGY 5.50 (# 1345:20 Unique 5.34, 6.72 A)
&rst
ixpk= 1345, nxpk= 20, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 100 VAL MGY 99 LEU HN 5.50 (# 761:10 Unique 4.69, 6.49 A)
&rst
ixpk= 761, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1524,1525,1526,1528,1529,1530,
&end
#
# 101 ASN HB+ 101 ASN HA 3.50 (# 2096:20 Unique 2.18, 2.47 A)
&rst
ixpk= 2096, nxpk= 20, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1538,1539,
&end
#
# 101 ASN HB- 101 ASN HA 3.50 (# 2097:20 Unique 2.18, 2.47 A)
&rst
ixpk= 2097, nxpk= 20, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1538,1539,
&end
#
# 101 ASN HA 101 ASN HN 2.80 (# 697:10 Unique 2.82, 2.83 A)
&rst
ixpk= 697, nxpk= 10, iat=1536,1534, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 101 ASN HA 102 LYS HN 4.50 (# 906:10 Unique 3.51, 3.53 A)
&rst
ixpk= 906, nxpk= 10, iat=1536,1548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 ASN HA 103 HIS HN 4.50 (# 960:10 Unique 3.65, 4.08 A)
&rst
ixpk= 960, nxpk= 10, iat=1536,1570, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 LEU HB+ 101 ASN HA 3.50 (# 2100:20 Unique 2.71, 3.77 A)
&rst
ixpk= 2100, nxpk= 20, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1591,1592,
&end
#
# 104 LEU HG 101 ASN HA 3.50 (# 2099:20 Unique 2.12, 2.36 A)
&rst
ixpk= 2099, nxpk= 20, iat=1594,1536, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 ASN HA 104 LEU HN 3.50 (# 185:10 Unique 2.81, 3.14 A)
&rst
ixpk= 185, nxpk= 10, iat=1536,1587, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 ASN HA 104 LEU MDX 3.50 (# 3095:20 Unique 2.35, 4.13 A)
&rst
ixpk= 3095, nxpk= 20, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1596,1597,1598,1600,1601,1602,
&end
#
# 101 ASN HA 104 LEU MDY 4.50 (# 2666:20 Unique 2.35, 4.13 A)
&rst
ixpk= 2666, nxpk= 20, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1596,1597,1598,1600,1601,1602,
&end
#
# 101 ASN HA 46 MET ME 4.50 (# 2429:20 Unique 3.19, 4.47 A)
&rst
ixpk= 2429, nxpk= 20, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 684, 685, 686,
&end
#
# 101 ASN HD2+ 101 ASN HB+ 3.50 (# 791:20 Unique 2.10, 3.45 A)
&rst
ixpk= 791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1543,1544,
igr2=1538,1539,
&end
#
# 101 ASN HB+ 101 ASN HD2- 4.50 (# 1209:10 Unique 2.10, 3.45 A)
&rst
ixpk= 1209, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1538,1539,
igr2=1543,1544,
&end
#
# 101 ASN HB+ 101 ASN HN 2.80 (# 704:10 Unique 2.17, 2.86 A)
&rst
ixpk= 704, nxpk= 10, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1538,1539,
&end
#
# 101 ASN HB+ 104 LEU MDX 5.50 (# 3097:20 Unique 2.84, 5.78 A)
&rst
ixpk= 3097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1538,1539,
igr2=1596,1597,1598,1600,1601,1602,
&end
#
# 46 MET ME 101 ASN HB+ 4.50 (# 799:20 Unique 2.17, 3.25 A)
&rst
ixpk= 799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 684, 685, 686,
igr2=1538,1539,
&end
#
# 98 GLU HA 101 ASN HB+ 3.50 (# 798:20 Unique 3.18, 4.27 A)
&rst
ixpk= 798, nxpk= 20, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1538,1539,
&end
#
# 101 ASN HD2+ 101 ASN HB- 3.50 (# 790:20 Unique 2.10, 3.45 A)
&rst
ixpk= 790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1543,1544,
igr2=1538,1539,
&end
#
# 101 ASN HD2- 101 ASN HB- 4.50 (# 787:20 Unique 2.10, 3.45 A)
&rst
ixpk= 787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1543,1544,
igr2=1538,1539,
&end
#
# 101 ASN HB- 101 ASN HN 2.80 (# 703:10 Unique 2.17, 2.86 A)
&rst
ixpk= 703, nxpk= 10, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1538,1539,
&end
#
# 46 MET ME 101 ASN HB- 5.50 (# 800:20 Unique 2.17, 3.25 A)
&rst
ixpk= 800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 684, 685, 686,
igr2=1538,1539,
&end
#
# 98 GLU HA 101 ASN HB- 3.50 (# 797:20 Unique 3.18, 4.27 A)
&rst
ixpk= 797, nxpk= 20, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1538,1539,
&end
#
# 101 ASN HD2+ 102 LYS HN 3.50 (# 905:10 Unique 2.32, 3.10 A)
&rst
ixpk= 905, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1543,1544,
&end
#
# 98 GLU HA 101 ASN HD2+ 5.50 (# 1212:10 Unique 1.96, 2.48 A)
&rst
ixpk= 1212, nxpk= 10, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1543,1544,
&end
#
# 101 ASN HD2- 46 MET ME 4.50 (# 2431:20 Unique 3.61, 5.77 A)
&rst
ixpk= 2431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1543,1544,
igr2= 684, 685, 686,
&end
#
# 101 ASN HD2- 97 GLN HE2+ 5.50 (# 1172:10 Unique 3.25, 4.95 A)
&rst
ixpk= 1172, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1543,1544,
igr2=1479,1480,
&end
#
# 101 ASN HD2- 97 GLN HE2- 4.50 (# 1163:10 Unique 3.25, 4.95 A)
&rst
ixpk= 1163, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1543,1544,
igr2=1479,1480,
&end
#
# 101 ASN HD2- 97 GLN HG+ 5.50 (# 846:20 Unique 5.36, 7.09 A)
&rst
ixpk= 846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1543,1544,
igr2=1474,1475,
&end
#
# 101 ASN HD2- 97 GLN HG- 5.50 (# 847:20 Unique 5.36, 7.09 A)
&rst
ixpk= 847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1543,1544,
igr2=1474,1475,
&end
#
# 101 ASN HD2- 98 GLU HA 5.50 (# 280:20 Unique 1.96, 2.48 A)
&rst
ixpk= 280, nxpk= 20, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1543,1544,
&end
#
# 101 ASN HN 102 LYS HN 2.80 (# 904:10 Unique 2.68, 2.78 A)
&rst
ixpk= 904, nxpk= 10, iat=1534,1548, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 101 ASN HN 104 LEU MDX 5.50 (# 3092:20 Unique 4.15, 5.96 A)
&rst
ixpk= 3092, nxpk= 20, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1596,1597,1598,1600,1601,1602,
&end
#
# 101 ASN HN 46 MET ME 4.50 (# 2435:20 Unique 3.12, 4.33 A)
&rst
ixpk= 2435, nxpk= 20, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 684, 685, 686,
&end
#
# 101 ASN HN 97 GLN HA 4.50 (# 184:20 Unique 3.39, 3.51 A)
&rst
ixpk= 184, nxpk= 20, iat=1534,1469, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 GLU HA 101 ASN HN 4.50 (# 700:10 Unique 3.39, 3.59 A)
&rst
ixpk= 700, nxpk= 10, iat=1486,1534, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 ASN HN 99 LEU HN 5.50 (# 753:10 Unique 4.18, 4.31 A)
&rst
ixpk= 753, nxpk= 10, iat=1534,1499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 LYS HA 102 LYS HE+ 4.50 (# 3122:20 Unique 2.15, 4.60 A)
&rst
ixpk= 3122, nxpk= 20, iat=1550, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1561,1562,
&end
#
# 102 LYS HA 102 LYS HE- 4.50 (# 3121:20 Unique 2.15, 4.60 A)
&rst
ixpk= 3121, nxpk= 20, iat=1550, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1561,1562,
&end
#
# 102 LYS HE- 102 LYS HB+ 4.50 (# 2787:20 Unique 2.18, 4.11 A)
&rst
ixpk= 2787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1561,1562,
igr2=1552,1553,
&end
#
# 102 LYS HG- 102 LYS HB+ 3.50 (# 2784:20 Unique 2.27, 2.70 A)
&rst
ixpk= 2784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1555,1556,
igr2=1552,1553,
&end
#
# 102 LYS HB+ 102 LYS HN 2.80 (# 909:10 Unique 2.31, 3.02 A)
&rst
ixpk= 909, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1552,1553,
&end
#
# 103 HIS HD2 102 LYS HB+ 4.50 (# 2781:20 Unique 3.63, 4.88 A)
&rst
ixpk= 2781, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1552,1553,
&end
#
# 102 LYS HB+ 103 HIS HN 5.50 (# 1488:10 Unique 2.69, 3.34 A)
&rst
ixpk= 1488, nxpk= 10, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1552,1553,
&end
#
# 102 LYS HE- 102 LYS HB- 4.50 (# 2788:20 Unique 2.18, 4.11 A)
&rst
ixpk= 2788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1561,1562,
igr2=1552,1553,
&end
#
# 102 LYS HG- 102 LYS HB- 4.50 (# 2785:20 Unique 2.27, 2.70 A)
&rst
ixpk= 2785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1555,1556,
igr2=1552,1553,
&end
#
# 102 LYS HN 102 LYS HB- 3.50 (# 2790:20 Unique 2.31, 3.02 A)
&rst
ixpk= 2790, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1552,1553,
&end
#
# 103 HIS HD2 102 LYS HB- 4.50 (# 2791:20 Unique 3.63, 4.88 A)
&rst
ixpk= 2791, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1552,1553,
&end
#
# 102 LYS HB- 103 HIS HN 3.50 (# 959:10 Unique 2.69, 3.34 A)
&rst
ixpk= 959, nxpk= 10, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1552,1553,
&end
#
# 102 LYS HN 103 HIS HN 2.80 (# 954:10 Unique 2.64, 2.71 A)
&rst
ixpk= 954, nxpk= 10, iat=1548,1570, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 104 LEU HN 102 LYS HN 4.50 (# 900:10 Unique 4.18, 4.25 A)
&rst
ixpk= 900, nxpk= 10, iat=1587,1548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 GLU HG+ 102 LYS HN 5.50 (# 877:10 Unique 4.43, 5.24 A)
&rst
ixpk= 877, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1491,1492,
&end
#
# 103 HIS HA 103 HIS HB+ 3.50 (# 1988:20 Unique 2.44, 2.77 A)
&rst
ixpk= 1988, nxpk= 20, iat=1572, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1574,1575,
&end
#
# 103 HIS HA 103 HIS HB- 3.50 (# 767:20 Unique 2.44, 2.77 A)
&rst
ixpk= 767, nxpk= 20, iat=1572, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1574,1575,
&end
#
# 103 HIS HA 103 HIS HN 3.50 (# 956:10 Unique 2.87, 2.92 A)
&rst
ixpk= 956, nxpk= 10, iat=1572,1570, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 HIS HA 104 LEU HN 3.50 (# 184:10 Unique 3.57, 3.59 A)
&rst
ixpk= 184, nxpk= 10, iat=1572,1587, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 HIS HA 19 VAL MGX 5.50 (# 1257:20 Unique 4.98, 6.38 A)
&rst
ixpk= 1257, nxpk= 20, iat=1572, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 103 HIS HD2 103 HIS HB+ 4.50 (# 1990:20 Unique 2.54, 3.07 A)
&rst
ixpk= 1990, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1574,1575,
&end
#
# 103 HIS HB+ 103 HIS HN 2.80 (# 958:10 Unique 2.33, 3.04 A)
&rst
ixpk= 958, nxpk= 10, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1574,1575,
&end
#
# 103 HIS HB+ 104 LEU HN 4.50 (# 189:10 Unique 2.92, 3.51 A)
&rst
ixpk= 189, nxpk= 10, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1574,1575,
&end
#
# 19 VAL MGX 103 HIS HB+ 4.50 (# 1984:20 Unique 3.13, 5.06 A)
&rst
ixpk= 1984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 261, 262, 263, 265, 266, 267,
igr2=1574,1575,
&end
#
# 103 HIS HB+ 19 VAL MGY 4.50 (# 2530:20 Unique 3.13, 5.06 A)
&rst
ixpk= 2530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1574,1575,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 77 VAL MGX 103 HIS HB+ 4.50 (# 1982:20 Unique 2.48, 4.57 A)
&rst
ixpk= 1982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1165,1166,1167,1169,1170,1171,
igr2=1574,1575,
&end
#
# 103 HIS HB+ 79 LYS HD+ 4.50 (# 1515:20 Unique 2.39, 4.11 A)
&rst
ixpk= 1515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1574,1575,
igr2=1204,1205,
&end
#
# 103 HIS HB+ 84 VAL MGX 5.50 (# 954:20 Unique 2.95, 6.09 A)
&rst
ixpk= 954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1574,1575,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 103 HIS HD2 103 HIS HB- 4.50 (# 765:20 Unique 2.54, 3.07 A)
&rst
ixpk= 765, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1574,1575,
&end
#
# 103 HIS HB- 103 HIS HN 3.50 (# 957:10 Unique 2.33, 3.04 A)
&rst
ixpk= 957, nxpk= 10, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1574,1575,
&end
#
# 103 HIS HB- 104 LEU HN 5.50 (# 188:10 Unique 2.92, 3.51 A)
&rst
ixpk= 188, nxpk= 10, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1574,1575,
&end
#
# 103 HIS HB- 19 VAL MGX 4.50 (# 1267:20 Unique 3.13, 5.06 A)
&rst
ixpk= 1267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1574,1575,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 103 HIS HB- 19 VAL MGY 4.50 (# 2529:20 Unique 3.13, 5.06 A)
&rst
ixpk= 2529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1574,1575,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 103 HIS HB- 77 VAL MGX 4.50 (# 1229:20 Unique 2.48, 4.57 A)
&rst
ixpk= 1229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1574,1575,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 79 LYS HB+ 103 HIS HB- 5.50 (# 770:20 Unique 4.69, 6.88 A)
&rst
ixpk= 770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1198,1199,
igr2=1574,1575,
&end
#
# 103 HIS HB- 79 LYS HD+ 3.50 (# 1517:20 Unique 2.39, 4.11 A)
&rst
ixpk= 1517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1574,1575,
igr2=1204,1205,
&end
#
# 103 HIS HB- 84 VAL MGX 4.50 (# 953:20 Unique 2.95, 6.09 A)
&rst
ixpk= 953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1574,1575,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 103 HIS HD2 103 HIS HN 3.50 (# 953:10 Unique 3.49, 3.55 A)
&rst
ixpk= 953, nxpk= 10, iat=1583,1570, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 HIS HD2 104 LEU HN 5.50 (# 1359:10 Unique 5.18, 5.31 A)
&rst
ixpk= 1359, nxpk= 10, iat=1583,1587, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 HIS HD2 77 VAL MGX 4.50 (# 1223:20 Unique 2.42, 3.86 A)
&rst
ixpk= 1223, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 103 HIS HD2 77 VAL MGY 4.50 (# 2506:20 Unique 2.42, 3.86 A)
&rst
ixpk= 2506, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 103 HIS HD2 84 VAL MGX 4.50 (# 959:20 Unique 4.56, 6.98 A)
&rst
ixpk= 959, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 103 HIS HD2 85 GLU HG+ 4.50 (# 1743:20 Unique 3.71, 5.04 A)
&rst
ixpk= 1743, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1289,1290,
&end
#
# 103 HIS HD2 85 GLU HG- 4.50 (# 1737:20 Unique 3.71, 5.04 A)
&rst
ixpk= 1737, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1289,1290,
&end
#
# 103 HIS HD2 99 LEU HA 5.50 (# 208:20 Unique 3.62, 4.03 A)
&rst
ixpk= 208, nxpk= 20, iat=1583,1501, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU HN 103 HIS HN 2.80 (# 955:10 Unique 2.27, 2.54 A)
&rst
ixpk= 955, nxpk= 10, iat=1587,1570, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 103 HIS HN 19 VAL MGX 5.50 (# 1259:20 Unique 5.34, 6.93 A)
&rst
ixpk= 1259, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 103 HIS HN 77 VAL MGX 5.50 (# 1222:20 Unique 4.72, 6.54 A)
&rst
ixpk= 1222, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 104 LEU HA 104 LEU HB+ 3.50 (# 3003:20 Unique 2.23, 2.69 A)
&rst
ixpk= 3003, nxpk= 20, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1591,1592,
&end
#
# 104 LEU HA 104 LEU HG 4.50 (# 3078:20 Unique 3.18, 3.34 A)
&rst
ixpk= 3078, nxpk= 20, iat=1589,1594, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 LEU HA 104 LEU HN 2.80 (# 186:10 Unique 2.76, 2.80 A)
&rst
ixpk= 186, nxpk= 10, iat=1589,1587, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 104 LEU HA 104 LEU MDX 4.50 (# 3094:20 Unique 2.29, 3.94 A)
&rst
ixpk= 3094, nxpk= 20, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1596,1597,1598,1600,1601,1602,
&end
#
# 104 LEU HA 104 LEU MDY 3.50 (# 2667:20 Unique 2.29, 3.94 A)
&rst
ixpk= 2667, nxpk= 20, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1596,1597,1598,1600,1601,1602,
&end
#
# 19 VAL MGX 104 LEU HA 3.50 (# 2102:20 Unique 2.07, 3.68 A)
&rst
ixpk= 2102, nxpk= 20, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 261, 262, 263, 265, 266, 267,
&end
#
# 104 LEU HA 19 VAL MGY 4.50 (# 2527:20 Unique 2.07, 3.68 A)
&rst
ixpk= 2527, nxpk= 20, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 104 LEU HB+ 104 LEU HN 2.80 (# 191:10 Unique 2.31, 3.20 A)
&rst
ixpk= 191, nxpk= 10, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1591,1592,
&end
#
# 104 LEU HB+ 104 LEU MDY 2.80 (# 2671:20 Unique 2.28, 3.28 A)
&rst
ixpk= 2671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1591,1592,
igr2=1596,1597,1598,1600,1601,1602,
&end
#
# 104 LEU HB+ 19 VAL MGX 4.50 (# 1272:20 Unique 2.45, 5.82 A)
&rst
ixpk= 1272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1591,1592,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 104 LEU HG 104 LEU HN 2.80 (# 190:10 Unique 2.14, 2.36 A)
&rst
ixpk= 190, nxpk= 10, iat=1594,1587, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 104 LEU HN 104 LEU MDX 4.50 (# 3091:20 Unique 3.12, 4.33 A)
&rst
ixpk= 3091, nxpk= 20, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1596,1597,1598,1600,1601,1602,
&end
#
# 104 LEU HN 104 LEU MDY 4.50 (# 2664:20 Unique 3.12, 4.33 A)
&rst
ixpk= 2664, nxpk= 20, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1596,1597,1598,1600,1601,1602,
&end
#
# 19 VAL MGX 104 LEU HN 5.50 (# 1361:10 Unique 3.47, 5.36 A)
&rst
ixpk= 1361, nxpk= 10, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 261, 262, 263, 265, 266, 267,
&end
#
# 49 LYS HB- 104 LEU MDX 3.50 (# 3099:20 Unique 2.23, 3.41 A)
&rst
ixpk= 3099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 713, 714,
igr2=1596,1597,1598,1600,1601,1602,
&end
#
# 49 LYS HE+ 104 LEU MDX 5.50 (# 3096:20 Unique 2.13, 4.77 A)
&rst
ixpk= 3096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 722, 723,
igr2=1596,1597,1598,1600,1601,1602,
&end
#
# 50 LEU HN 104 LEU MDX 5.50 (# 3093:20 Unique 3.39, 5.20 A)
&rst
ixpk= 3093, nxpk= 20, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1596,1597,1598,1600,1601,1602,
&end
#
# 19 VAL HN 104 LEU MDY 5.50 (# 2665:20 Unique 4.97, 7.36 A)
&rst
ixpk= 2665, nxpk= 20, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1596,1597,1598,1600,1601,1602,
&end
#
# 49 LYS HE+ 104 LEU MDY 5.50 (# 2668:20 Unique 2.13, 4.77 A)
&rst
ixpk= 2668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 722, 723,
igr2=1596,1597,1598,1600,1601,1602,
&end
#
# 11 PHE HA 11 PHE HB+ 3.50 (# 691:20 Unique 2.42, 2.76 A)
&rst
ixpk= 691, nxpk= 20, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 156, 157,
&end
#
# 11 PHE HB- 11 PHE HA 3.50 (# 105:20 Unique 2.42, 2.76 A)
&rst
ixpk= 105, nxpk= 20, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 156, 157,
&end
#
# 11 PHE HD 11 PHE HA 3.50 (# 103:20 Unique 2.92, 3.65 A)
&rst
ixpk= 103, nxpk= 20, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 160, 168,
&end
#
# 11 PHE HA 11 PHE HN 2.80 (# 276:10 Unique 2.76, 2.80 A)
&rst
ixpk= 276, nxpk= 10, iat= 154, 152, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 PHE HA 12 SER HN 5.50 (# 930:10 Unique 3.55, 3.57 A)
&rst
ixpk= 930, nxpk= 10, iat= 154, 172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE HA 13 ALA HN 5.50 (# 1272:10 Unique 4.25, 4.41 A)
&rst
ixpk= 1272, nxpk= 10, iat= 154, 183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLU HA 11 PHE HA 5.50 (# 104:20 Unique 5.10, 5.24 A)
&rst
ixpk= 104, nxpk= 20, iat= 195, 154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE HA 14 GLU HB- 4.50 (# 1496:20 Unique 2.19, 3.11 A)
&rst
ixpk= 1496, nxpk= 20, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 197, 198,
&end
#
# 11 PHE HA 14 GLU HG+ 5.50 (# 876:20 Unique 3.57, 3.90 A)
&rst
ixpk= 876, nxpk= 20, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 200, 201,
&end
#
# 14 GLU HG- 11 PHE HA 5.50 (# 108:20 Unique 3.57, 3.90 A)
&rst
ixpk= 108, nxpk= 20, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 200, 201,
&end
#
# 11 PHE HA 14 GLU HN 4.50 (# 1007:10 Unique 3.25, 3.33 A)
&rst
ixpk= 1007, nxpk= 10, iat= 154, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 PHE HA 15 THR HN 5.50 (# 1337:10 Unique 3.66, 3.75 A)
&rst
ixpk= 1337, nxpk= 10, iat= 154, 208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE HA 15 THR MG2 4.50 (# 975:20 Unique 3.43, 4.72 A)
&rst
ixpk= 975, nxpk= 20, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 214, 215, 216,
&end
#
# 53 VAL MGY 11 PHE HA 4.50 (# 116:20 Unique 3.77, 5.47 A)
&rst
ixpk= 116, nxpk= 20, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 55 ILE QD1 11 PHE HA 5.50 (# 115:20 Unique 4.77, 5.84 A)
&rst
ixpk= 115, nxpk= 20, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 842, 843, 844,
&end
#
# 11 PHE HA 6 ALA MB 3.50 (# 2444:20 Unique 1.99, 2.77 A)
&rst
ixpk= 2444, nxpk= 20, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 92, 93, 94,
&end
#
# 11 PHE HA 7 THR HN 5.50 (# 1519:10 Unique 3.18, 3.62 A)
&rst
ixpk= 1519, nxpk= 10, iat= 154, 98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE HD 11 PHE HB+ 3.50 (# 689:20 Unique 2.32, 3.07 A)
&rst
ixpk= 689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 160, 168,
igr2= 156, 157,
&end
#
# 11 PHE HB+ 11 PHE HN 2.80 (# 277:10 Unique 2.22, 2.43 A)
&rst
ixpk= 277, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 156, 157,
&end
#
# 11 PHE HB+ 12 SER HA 5.50 (# 628:20 Unique 4.06, 4.96 A)
&rst
ixpk= 628, nxpk= 20, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 156, 157,
&end
#
# 11 PHE HB+ 12 SER HN 3.50 (# 939:10 Unique 2.81, 3.46 A)
&rst
ixpk= 939, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 156, 157,
&end
#
# 11 PHE HB+ 55 ILE QD1 4.50 (# 905:20 Unique 2.66, 4.23 A)
&rst
ixpk= 905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 156, 157,
igr2= 842, 843, 844,
&end
#
# 11 PHE HB+ 6 ALA MB 4.50 (# 2446:20 Unique 2.67, 4.28 A)
&rst
ixpk= 2446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 156, 157,
igr2= 92, 93, 94,
&end
#
# 11 PHE HB+ 63 THR MG2 4.50 (# 2552:20 Unique 2.09, 3.45 A)
&rst
ixpk= 2552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 156, 157,
igr2= 955, 956, 957,
&end
#
# 11 PHE HB+ 8 ASP HA 4.50 (# 2133:20 Unique 3.21, 3.78 A)
&rst
ixpk= 2133, nxpk= 20, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 156, 157,
&end
#
# 11 PHE HD 11 PHE HB- 3.50 (# 690:20 Unique 2.32, 3.07 A)
&rst
ixpk= 690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 160, 168,
igr2= 156, 157,
&end
#
# 11 PHE HB- 11 PHE HN 2.80 (# 278:10 Unique 2.22, 2.43 A)
&rst
ixpk= 278, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 156, 157,
&end
#
# 11 PHE HB- 12 SER HA 4.50 (# 629:20 Unique 4.06, 4.96 A)
&rst
ixpk= 629, nxpk= 20, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 156, 157,
&end
#
# 11 PHE HB- 12 SER HN 2.80 (# 940:10 Unique 2.81, 3.46 A)
&rst
ixpk= 940, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 156, 157,
&end
#
# 11 PHE HB- 55 ILE QD1 4.50 (# 904:20 Unique 2.66, 4.23 A)
&rst
ixpk= 904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 156, 157,
igr2= 842, 843, 844,
&end
#
# 11 PHE HB- 6 ALA MB 4.50 (# 2445:20 Unique 2.67, 4.28 A)
&rst
ixpk= 2445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 156, 157,
igr2= 92, 93, 94,
&end
#
# 11 PHE HB- 63 THR MG2 4.50 (# 2553:20 Unique 2.09, 3.45 A)
&rst
ixpk= 2553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 156, 157,
igr2= 955, 956, 957,
&end
#
# 11 PHE HB- 8 ASP HA 4.50 (# 2132:20 Unique 3.21, 3.78 A)
&rst
ixpk= 2132, nxpk= 20, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 156, 157,
&end
#
# 11 PHE HD 11 PHE HN 4.50 (# 273:10 Unique 4.15, 4.67 A)
&rst
ixpk= 273, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 160, 168,
&end
#
# 11 PHE HD 12 SER HA 4.50 (# 624:20 Unique 2.83, 4.92 A)
&rst
ixpk= 624, nxpk= 20, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 160, 168,
&end
#
# 11 PHE HD 12 SER HN 4.50 (# 936:10 Unique 3.37, 4.83 A)
&rst
ixpk= 936, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 160, 168,
&end
#
# 11 PHE HD 15 THR MG2 4.50 (# 983:20 Unique 3.54, 4.57 A)
&rst
ixpk= 983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 160, 168,
igr2= 214, 215, 216,
&end
#
# 11 PHE HD 22 ALA MB 4.50 (# 1328:20 Unique 4.54, 5.95 A)
&rst
ixpk= 1328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 160, 168,
igr2= 310, 311, 312,
&end
#
# 11 PHE HD 55 ILE HB 4.50 (# 1033:20 Unique 2.50, 5.11 A)
&rst
ixpk= 1033, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 160, 168,
&end
#
# 11 PHE HD 55 ILE QD1 3.50 (# 910:20 Unique 2.24, 4.48 A)
&rst
ixpk= 910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 160, 168,
igr2= 842, 843, 844,
&end
#
# 11 PHE HD 55 ILE QG2 4.50 (# 926:20 Unique 3.31, 5.98 A)
&rst
ixpk= 926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 160, 168,
igr2= 835, 836, 837,
&end
#
# 11 PHE HD 6 ALA MB 3.50 (# 2441:20 Unique 2.19, 4.56 A)
&rst
ixpk= 2441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 160, 168,
igr2= 92, 93, 94,
&end
#
# 11 PHE HD 63 THR MG2 3.50 (# 2547:20 Unique 2.77, 4.04 A)
&rst
ixpk= 2547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 160, 168,
igr2= 955, 956, 957,
&end
#
# 12 SER HA 11 PHE HN 5.50 (# 1279:10 Unique 5.33, 5.38 A)
&rst
ixpk= 1279, nxpk= 10, iat= 174, 152, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE HN 12 SER HN 3.50 (# 935:10 Unique 2.80, 2.87 A)
&rst
ixpk= 935, nxpk= 10, iat= 152, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 ILE QD1 11 PHE HN 5.50 (# 1283:10 Unique 4.78, 5.75 A)
&rst
ixpk= 1283, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 842, 843, 844,
&end
#
# 6 ALA MB 11 PHE HN 4.50 (# 279:10 Unique 3.11, 4.47 A)
&rst
ixpk= 279, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 92, 93, 94,
&end
#
# 63 THR MG2 11 PHE HN 5.50 (# 1284:10 Unique 3.75, 5.14 A)
&rst
ixpk= 1284, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 955, 956, 957,
&end
#
# 11 PHE HN 7 THR HN 4.50 (# 1221:10 Unique 2.72, 2.89 A)
&rst
ixpk= 1221, nxpk= 10, iat= 152, 98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 ASP HA 11 PHE HN 4.50 (# 275:10 Unique 3.47, 3.80 A)
&rst
ixpk= 275, nxpk= 10, iat= 114, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 PHE HN 9 GLN HN 5.50 (# 1544:10 Unique 3.94, 4.05 A)
&rst
ixpk= 1544, nxpk= 10, iat= 152, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 SER HA 12 SER HN 2.80 (# 938:10 Unique 2.83, 2.84 A)
&rst
ixpk= 938, nxpk= 10, iat= 174, 172, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 12 SER HA 13 ALA HN 3.50 (# 258:10 Unique 3.54, 3.56 A)
&rst
ixpk= 258, nxpk= 10, iat= 174, 183, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 ALA MB 12 SER HA 5.50 (# 630:20 Unique 5.84, 6.13 A)
&rst
ixpk= 630, nxpk= 20, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 187, 188, 189,
&end
#
# 12 SER HA 14 GLU HN 4.50 (# 1006:10 Unique 4.18, 4.49 A)
&rst
ixpk= 1006, nxpk= 10, iat= 174, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 SER HA 15 THR HN 3.50 (# 50:10 Unique 3.55, 3.58 A)
&rst
ixpk= 50, nxpk= 10, iat= 174, 208, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 THR MG2 12 SER HA 4.50 (# 631:20 Unique 4.66, 5.47 A)
&rst
ixpk= 631, nxpk= 20, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 214, 215, 216,
&end
#
# 16 SER HN 12 SER HA 5.50 (# 622:20 Unique 4.40, 4.63 A)
&rst
ixpk= 622, nxpk= 20, iat= 222, 174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 SER HN 13 ALA HN 2.80 (# 254:10 Unique 2.66, 2.70 A)
&rst
ixpk= 254, nxpk= 10, iat= 172, 183, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 13 ALA MB 12 SER HN 5.50 (# 941:10 Unique 4.78, 5.45 A)
&rst
ixpk= 941, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 187, 188, 189,
&end
#
# 12 SER HN 14 GLU HN 5.50 (# 1542:10 Unique 3.92, 4.10 A)
&rst
ixpk= 1542, nxpk= 10, iat= 172, 193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ALA HA 13 ALA HN 2.80 (# 257:10 Unique 2.83, 2.87 A)
&rst
ixpk= 257, nxpk= 10, iat= 185, 183, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 13 ALA HA 13 ALA MB 2.80 (# 2392:20 Unique 2.46, 2.67 A)
&rst
ixpk= 2392, nxpk= 20, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 187, 188, 189,
&end
#
# 13 ALA HA 14 GLU HN 4.50 (# 1005:10 Unique 3.56, 3.60 A)
&rst
ixpk= 1005, nxpk= 10, iat= 185, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 THR HN 13 ALA HA 5.50 (# 303:20 Unique 4.58, 4.66 A)
&rst
ixpk= 303, nxpk= 20, iat= 208, 185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 SER HN 13 ALA HA 4.50 (# 302:20 Unique 3.57, 3.75 A)
&rst
ixpk= 302, nxpk= 20, iat= 222, 185, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 ALA MB 13 ALA HN 2.80 (# 259:10 Unique 2.48, 2.90 A)
&rst
ixpk= 259, nxpk= 10, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 187, 188, 189,
&end
#
# 14 GLU HB+ 13 ALA HN 5.50 (# 1276:10 Unique 4.41, 5.31 A)
&rst
ixpk= 1276, nxpk= 10, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 197, 198,
&end
#
# 14 GLU HG+ 13 ALA HN 5.50 (# 1274:10 Unique 4.43, 5.31 A)
&rst
ixpk= 1274, nxpk= 10, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 200, 201,
&end
#
# 15 THR HN 13 ALA HN 5.50 (# 1273:10 Unique 4.18, 4.24 A)
&rst
ixpk= 1273, nxpk= 10, iat= 208, 183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLU HG+ 13 ALA MB 4.50 (# 2396:20 Unique 3.27, 5.23 A)
&rst
ixpk= 2396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 200, 201,
igr2= 187, 188, 189,
&end
#
# 13 ALA MB 14 GLU HN 2.80 (# 1013:10 Unique 2.53, 3.39 A)
&rst
ixpk= 1013, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 187, 188, 189,
&end
#
# 13 ALA MB 16 SER HN 5.50 (# 1444:10 Unique 5.18, 5.60 A)
&rst
ixpk= 1444, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 187, 188, 189,
&end
#
# 14 GLU HA 14 GLU HB+ 3.50 (# 1501:20 Unique 2.61, 2.84 A)
&rst
ixpk= 1501, nxpk= 20, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 197, 198,
&end
#
# 14 GLU HA 14 GLU HB- 3.50 (# 1497:20 Unique 2.61, 2.84 A)
&rst
ixpk= 1497, nxpk= 20, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 197, 198,
&end
#
# 14 GLU HA 14 GLU HG- 4.50 (# 1763:20 Unique 2.65, 3.21 A)
&rst
ixpk= 1763, nxpk= 20, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 200, 201,
&end
#
# 14 GLU HA 14 GLU HN 2.80 (# 1004:10 Unique 2.82, 2.83 A)
&rst
ixpk= 1004, nxpk= 10, iat= 195, 193, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 15 THR HN 14 GLU HA 4.50 (# 2277:20 Unique 3.59, 3.61 A)
&rst
ixpk= 2277, nxpk= 20, iat= 208, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 THR MG2 14 GLU HA 5.50 (# 2274:20 Unique 5.16, 6.02 A)
&rst
ixpk= 2274, nxpk= 20, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 214, 215, 216,
&end
#
# 16 SER HN 14 GLU HA 4.50 (# 2276:20 Unique 3.76, 3.85 A)
&rst
ixpk= 2276, nxpk= 20, iat= 222, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 VAL MGY 14 GLU HA 5.50 (# 2273:20 Unique 4.92, 6.66 A)
&rst
ixpk= 2273, nxpk= 20, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 14 GLU HG+ 14 GLU HB+ 3.50 (# 1502:20 Unique 2.38, 2.61 A)
&rst
ixpk= 1502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 200, 201,
igr2= 197, 198,
&end
#
# 14 GLU HG- 14 GLU HB+ 2.80 (# 1503:20 Unique 2.38, 2.61 A)
&rst
ixpk= 1503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 200, 201,
igr2= 197, 198,
&end
#
# 14 GLU HB+ 14 GLU HN 2.80 (# 1012:10 Unique 2.23, 2.92 A)
&rst
ixpk= 1012, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 197, 198,
&end
#
# 14 GLU HB+ 15 THR HN 4.50 (# 46:10 Unique 2.68, 3.16 A)
&rst
ixpk= 46, nxpk= 10, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 197, 198,
&end
#
# 15 THR MG2 14 GLU HB+ 4.50 (# 1505:20 Unique 3.05, 4.45 A)
&rst
ixpk= 1505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 214, 215, 216,
igr2= 197, 198,
&end
#
# 14 GLU HG+ 14 GLU HB- 3.50 (# 1508:20 Unique 2.38, 2.61 A)
&rst
ixpk= 1508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 200, 201,
igr2= 197, 198,
&end
#
# 14 GLU HB- 14 GLU HN 2.80 (# 1011:10 Unique 2.23, 2.92 A)
&rst
ixpk= 1011, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 197, 198,
&end
#
# 14 GLU HB- 15 THR HN 4.50 (# 51:10 Unique 2.68, 3.16 A)
&rst
ixpk= 51, nxpk= 10, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 197, 198,
&end
#
# 14 GLU HB- 15 THR MG2 3.50 (# 989:20 Unique 3.05, 4.45 A)
&rst
ixpk= 989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 197, 198,
igr2= 214, 215, 216,
&end
#
# 53 VAL MGY 14 GLU HB- 4.50 (# 1507:20 Unique 2.42, 4.55 A)
&rst
ixpk= 1507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 797, 798, 799, 801, 802, 803,
igr2= 197, 198,
&end
#
# 14 GLU HG+ 14 GLU HN 2.80 (# 1009:10 Unique 2.37, 3.13 A)
&rst
ixpk= 1009, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 200, 201,
&end
#
# 14 GLU HG+ 15 THR HN 5.50 (# 1338:10 Unique 4.58, 4.91 A)
&rst
ixpk= 1338, nxpk= 10, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 200, 201,
&end
#
# 14 GLU HG+ 16 SER HN 5.50 (# 932:10 Unique 5.88, 6.37 A)
&rst
ixpk= 932, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 200, 201,
&end
#
# 14 GLU HG+ 4 VAL MGX 4.50 (# 2574:20 Unique 3.19, 6.25 A)
&rst
ixpk= 2574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 200, 201,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 53 VAL MGY 14 GLU HG+ 4.50 (# 878:20 Unique 3.85, 5.86 A)
&rst
ixpk= 878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 797, 798, 799, 801, 802, 803,
igr2= 200, 201,
&end
#
# 14 GLU HG+ 6 ALA MB 4.50 (# 2447:20 Unique 2.32, 3.85 A)
&rst
ixpk= 2447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 200, 201,
igr2= 92, 93, 94,
&end
#
# 14 GLU HG- 14 GLU HN 3.50 (# 1010:10 Unique 2.37, 3.13 A)
&rst
ixpk= 1010, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 200, 201,
&end
#
# 14 GLU HG- 15 THR MG2 5.50 (# 988:20 Unique 5.13, 6.65 A)
&rst
ixpk= 988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 200, 201,
igr2= 214, 215, 216,
&end
#
# 51 LYS HE- 14 GLU HG- 5.50 (# 1765:20 Unique 5.52, 6.76 A)
&rst
ixpk= 1765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 763, 764,
igr2= 200, 201,
&end
#
# 53 VAL MGY 14 GLU HG- 4.50 (# 1767:20 Unique 3.85, 5.86 A)
&rst
ixpk= 1767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 797, 798, 799, 801, 802, 803,
igr2= 200, 201,
&end
#
# 14 GLU HG- 6 ALA MB 3.50 (# 2448:20 Unique 2.32, 3.85 A)
&rst
ixpk= 2448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 200, 201,
igr2= 92, 93, 94,
&end
#
# 15 THR HN 14 GLU HN 2.80 (# 1002:10 Unique 2.58, 2.81 A)
&rst
ixpk= 1002, nxpk= 10, iat= 208, 193, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 15 THR MG2 14 GLU HN 5.50 (# 1014:10 Unique 4.35, 5.75 A)
&rst
ixpk= 1014, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 214, 215, 216,
&end
#
# 16 SER HN 14 GLU HN 5.50 (# 1003:10 Unique 3.95, 4.03 A)
&rst
ixpk= 1003, nxpk= 10, iat= 222, 193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 VAL MGY 14 GLU HN 5.50 (# 1439:10 Unique 5.59, 7.10 A)
&rst
ixpk= 1439, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 6 ALA MB 14 GLU HN 5.50 (# 1440:10 Unique 4.47, 5.15 A)
&rst
ixpk= 1440, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 92, 93, 94,
&end
#
# 15 THR HB 15 THR HA 2.80 (# 2172:20 Unique 2.45, 2.47 A)
&rst
ixpk= 2172, nxpk= 20, iat= 212, 210, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 15 THR HA 15 THR HN 2.80 (# 49:10 Unique 2.88, 2.90 A)
&rst
ixpk= 49, nxpk= 10, iat= 210, 208, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 15 THR MG2 15 THR HA 3.50 (# 2167:20 Unique 2.24, 2.96 A)
&rst
ixpk= 2167, nxpk= 20, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 214, 215, 216,
&end
#
# 15 THR HA 16 SER HN 3.50 (# 966:10 Unique 3.25, 3.30 A)
&rst
ixpk= 966, nxpk= 10, iat= 210, 222, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 GLU HN 15 THR HA 4.50 (# 2175:20 Unique 3.04, 3.14 A)
&rst
ixpk= 2175, nxpk= 20, iat= 233, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 THR HA 20 VAL HB 5.50 (# 1684:20 Unique 2.70, 2.95 A)
&rst
ixpk= 1684, nxpk= 20, iat= 210, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 THR HA 20 VAL MGX 3.50 (# 2554:20 Unique 2.06, 3.51 A)
&rst
ixpk= 2554, nxpk= 20, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 20 VAL MGY 15 THR HA 2.80 (# 2170:20 Unique 2.06, 3.51 A)
&rst
ixpk= 2170, nxpk= 20, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 277, 278, 279, 281, 282, 283,
&end
#
# 15 THR HN 15 THR HB 4.50 (# 32:20 Unique 3.60, 3.62 A)
&rst
ixpk= 32, nxpk= 20, iat= 208, 212, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 THR HB 15 THR MG2 2.80 (# 977:20 Unique 2.36, 2.66 A)
&rst
ixpk= 977, nxpk= 20, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 214, 215, 216,
&end
#
# 16 SER HN 15 THR HB 5.50 (# 33:20 Unique 4.27, 4.34 A)
&rst
ixpk= 33, nxpk= 20, iat= 222, 212, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 THR HB 20 VAL HB 5.50 (# 1683:20 Unique 3.27, 3.41 A)
&rst
ixpk= 1683, nxpk= 20, iat= 212, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 THR HB 20 VAL MGX 4.50 (# 2555:20 Unique 4.12, 4.99 A)
&rst
ixpk= 2555, nxpk= 20, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 15 THR HB 20 VAL MGY 3.50 (# 1248:20 Unique 4.12, 4.99 A)
&rst
ixpk= 1248, nxpk= 20, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 22 ALA MB 15 THR HB 5.50 (# 26:20 Unique 5.06, 6.24 A)
&rst
ixpk= 26, nxpk= 20, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 310, 311, 312,
&end
#
# 53 VAL MGY 15 THR HB 5.50 (# 23:20 Unique 5.58, 6.96 A)
&rst
ixpk= 23, nxpk= 20, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 78 LEU HB+ 15 THR HB 5.50 (# 27:20 Unique 2.42, 2.91 A)
&rst
ixpk= 27, nxpk= 20, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1179,1180,
&end
#
# 78 LEU HB- 15 THR HB 5.50 (# 28:20 Unique 2.42, 2.91 A)
&rst
ixpk= 28, nxpk= 20, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1179,1180,
&end
#
# 15 THR HB 78 LEU MDX 3.50 (# 2609:20 Unique 2.24, 3.90 A)
&rst
ixpk= 2609, nxpk= 20, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 15 THR HB 78 LEU MDY 3.50 (# 2608:20 Unique 2.24, 3.90 A)
&rst
ixpk= 2608, nxpk= 20, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 15 THR MG2 15 THR HN 2.80 (# 68:10 Unique 2.51, 3.41 A)
&rst
ixpk= 68, nxpk= 10, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 214, 215, 216,
&end
#
# 15 THR HN 16 SER HA 5.50 (# 633:20 Unique 5.02, 5.10 A)
&rst
ixpk= 633, nxpk= 20, iat= 208, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 THR HN 16 SER HB+ 5.50 (# 606:20 Unique 4.74, 5.47 A)
&rst
ixpk= 606, nxpk= 20, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 226, 227,
&end
#
# 15 THR HN 16 SER HB- 5.50 (# 607:20 Unique 4.74, 5.47 A)
&rst
ixpk= 607, nxpk= 20, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 226, 227,
&end
#
# 15 THR HN 16 SER HN 2.80 (# 964:10 Unique 2.51, 2.62 A)
&rst
ixpk= 964, nxpk= 10, iat= 208, 222, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 15 THR HN 17 GLU HN 5.50 (# 1429:10 Unique 4.51, 4.66 A)
&rst
ixpk= 1429, nxpk= 10, iat= 208, 233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 THR HN 20 VAL MGY 5.50 (# 1241:20 Unique 4.51, 5.81 A)
&rst
ixpk= 1241, nxpk= 20, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 53 VAL MGY 15 THR HN 5.50 (# 1441:10 Unique 4.48, 6.28 A)
&rst
ixpk= 1441, nxpk= 10, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 16 SER HN 15 THR MG2 4.50 (# 984:20 Unique 4.85, 5.31 A)
&rst
ixpk= 984, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 214, 215, 216,
&end
#
# 15 THR MG2 20 VAL HB 5.50 (# 1689:20 Unique 2.30, 3.44 A)
&rst
ixpk= 1689, nxpk= 20, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 214, 215, 216,
&end
#
# 15 THR MG2 20 VAL MGX 2.80 (# 2557:20 Unique 2.23, 4.51 A)
&rst
ixpk= 2557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 214, 215, 216,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 15 THR MG2 20 VAL MGY 3.50 (# 1253:20 Unique 2.23, 4.51 A)
&rst
ixpk= 1253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 214, 215, 216,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 22 ALA MB 15 THR MG2 3.50 (# 992:20 Unique 3.14, 4.76 A)
&rst
ixpk= 992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 310, 311, 312,
igr2= 214, 215, 216,
&end
#
# 53 VAL MGY 15 THR MG2 2.80 (# 994:20 Unique 3.09, 4.82 A)
&rst
ixpk= 994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 797, 798, 799, 801, 802, 803,
igr2= 214, 215, 216,
&end
#
# 15 THR MG2 78 LEU MDX 3.50 (# 2601:20 Unique 2.22, 4.48 A)
&rst
ixpk= 2601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 214, 215, 216,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 15 THR MG2 78 LEU MDY 3.50 (# 2602:20 Unique 2.22, 4.48 A)
&rst
ixpk= 2602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 214, 215, 216,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 16 SER HN 16 SER HA 3.50 (# 632:20 Unique 2.90, 2.91 A)
&rst
ixpk= 632, nxpk= 20, iat= 222, 224, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 GLU HN 16 SER HA 4.50 (# 634:20 Unique 2.86, 2.89 A)
&rst
ixpk= 634, nxpk= 20, iat= 233, 224, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 VAL MGX 16 SER HA 4.50 (# 637:20 Unique 5.37, 7.26 A)
&rst
ixpk= 637, nxpk= 20, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 277, 278, 279, 281, 282, 283,
&end
#
# 81 GLY HA+ 16 SER HA 3.50 (# 636:20 Unique 2.18, 2.75 A)
&rst
ixpk= 636, nxpk= 20, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1230,1231,
&end
#
# 16 SER HA 81 GLY HN 4.50 (# 56:10 Unique 2.75, 3.25 A)
&rst
ixpk= 56, nxpk= 10, iat= 224,1228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 SER HB+ 16 SER HN 2.80 (# 969:10 Unique 2.49, 3.11 A)
&rst
ixpk= 969, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 226, 227,
&end
#
# 17 GLU HB+ 16 SER HB+ 5.50 (# 614:20 Unique 4.99, 6.09 A)
&rst
ixpk= 614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 237, 238,
igr2= 226, 227,
&end
#
# 17 GLU HG+ 16 SER HB+ 4.50 (# 613:20 Unique 3.45, 4.99 A)
&rst
ixpk= 613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 240, 241,
igr2= 226, 227,
&end
#
# 17 GLU HN 16 SER HB+ 4.50 (# 605:20 Unique 4.11, 4.37 A)
&rst
ixpk= 605, nxpk= 20, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 226, 227,
&end
#
# 81 GLY HA+ 16 SER HB+ 5.50 (# 608:20 Unique 2.70, 4.27 A)
&rst
ixpk= 608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1230,1231,
igr2= 226, 227,
&end
#
# 17 GLU HA 16 SER HN 5.50 (# 1521:10 Unique 5.02, 5.14 A)
&rst
ixpk= 1521, nxpk= 10, iat= 235, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 GLU HN 16 SER HN 2.80 (# 963:10 Unique 2.80, 2.85 A)
&rst
ixpk= 963, nxpk= 10, iat= 233, 222, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 20 VAL MGY 16 SER HN 5.50 (# 1445:10 Unique 4.67, 6.34 A)
&rst
ixpk= 1445, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 277, 278, 279, 281, 282, 283,
&end
#
# 17 GLU HA 17 GLU HB+ 3.50 (# 1638:20 Unique 2.31, 2.62 A)
&rst
ixpk= 1638, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 237, 238,
&end
#
# 17 GLU HA 17 GLU HB- 3.50 (# 1637:20 Unique 2.31, 2.62 A)
&rst
ixpk= 1637, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 237, 238,
&end
#
# 17 GLU HA 17 GLU HG+ 3.50 (# 829:20 Unique 2.58, 3.31 A)
&rst
ixpk= 829, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 240, 241,
&end
#
# 17 GLU HA 17 GLU HN 3.50 (# 783:10 Unique 2.85, 2.91 A)
&rst
ixpk= 783, nxpk= 10, iat= 235, 233, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 GLU HA 18 GLY HA+ 4.50 (# 656:20 Unique 4.17, 4.26 A)
&rst
ixpk= 656, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 250, 251,
&end
#
# 17 GLU HA 18 GLY HA- 4.50 (# 655:20 Unique 4.17, 4.26 A)
&rst
ixpk= 655, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 250, 251,
&end
#
# 17 GLU HA 18 GLY HN 3.50 (# 1195:10 Unique 1.98, 2.09 A)
&rst
ixpk= 1195, nxpk= 10, iat= 235, 248, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 GLU HA 20 VAL MGY 5.50 (# 1245:20 Unique 5.29, 7.16 A)
&rst
ixpk= 1245, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 17 GLU HA 80 ASP HN 5.50 (# 18:10 Unique 4.32, 4.60 A)
&rst
ixpk= 18, nxpk= 10, iat= 235,1216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 GLU HB+ 17 GLU HN 3.50 (# 781:10 Unique 2.68, 3.56 A)
&rst
ixpk= 781, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 237, 238,
&end
#
# 17 GLU HB+ 18 GLY HN 4.50 (# 1201:10 Unique 3.43, 4.06 A)
&rst
ixpk= 1201, nxpk= 10, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 237, 238,
&end
#
# 17 GLU HB- 17 GLU HN 3.50 (# 780:10 Unique 2.68, 3.56 A)
&rst
ixpk= 780, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 237, 238,
&end
#
# 17 GLU HB- 18 GLY HN 4.50 (# 1200:10 Unique 3.43, 4.06 A)
&rst
ixpk= 1200, nxpk= 10, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 237, 238,
&end
#
# 17 GLU HG+ 17 GLU HN 3.50 (# 779:10 Unique 2.85, 3.41 A)
&rst
ixpk= 779, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 240, 241,
&end
#
# 17 GLU HG+ 18 GLY HN 4.50 (# 1199:10 Unique 4.69, 5.09 A)
&rst
ixpk= 1199, nxpk= 10, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 240, 241,
&end
#
# 18 GLY HN 17 GLU HN 5.50 (# 773:10 Unique 3.71, 3.82 A)
&rst
ixpk= 773, nxpk= 10, iat= 248, 233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 VAL MGY 17 GLU HN 4.50 (# 782:10 Unique 3.21, 5.09 A)
&rst
ixpk= 782, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 277, 278, 279, 281, 282, 283,
&end
#
# 18 GLY HA+ 18 GLY HN 2.80 (# 1198:10 Unique 2.23, 2.55 A)
&rst
ixpk= 1198, nxpk= 10, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 250, 251,
&end
#
# 19 VAL HB 18 GLY HA+ 5.50 (# 660:20 Unique 4.66, 5.01 A)
&rst
ixpk= 660, nxpk= 20, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 250, 251,
&end
#
# 18 GLY HA+ 19 VAL HN 2.80 (# 303:10 Unique 2.25, 2.56 A)
&rst
ixpk= 303, nxpk= 10, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 250, 251,
&end
#
# 18 GLY HA+ 19 VAL MGX 4.50 (# 1266:20 Unique 3.74, 5.93 A)
&rst
ixpk= 1266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 250, 251,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 80 ASP HN 18 GLY HA+ 3.50 (# 658:20 Unique 6.94, 7.66 A)
&rst
ixpk= 658, nxpk= 20, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 250, 251,
&end
#
# 18 GLY HA- 18 GLY HN 2.80 (# 1197:10 Unique 2.23, 2.55 A)
&rst
ixpk= 1197, nxpk= 10, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 250, 251,
&end
#
# 19 VAL HB 18 GLY HA- 4.50 (# 659:20 Unique 4.66, 5.01 A)
&rst
ixpk= 659, nxpk= 20, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 250, 251,
&end
#
# 18 GLY HA- 19 VAL HN 2.80 (# 302:10 Unique 2.25, 2.56 A)
&rst
ixpk= 302, nxpk= 10, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 250, 251,
&end
#
# 18 GLY HA- 19 VAL MGX 4.50 (# 1265:20 Unique 3.74, 5.93 A)
&rst
ixpk= 1265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 250, 251,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 18 GLY HA- 51 LYS HE- 4.50 (# 1927:20 Unique 4.38, 6.29 A)
&rst
ixpk= 1927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 250, 251,
igr2= 763, 764,
&end
#
# 80 ASP HN 18 GLY HA- 3.50 (# 657:20 Unique 6.94, 7.66 A)
&rst
ixpk= 657, nxpk= 20, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 250, 251,
&end
#
# 18 GLY HN 19 VAL HN 4.50 (# 300:10 Unique 4.54, 4.58 A)
&rst
ixpk= 300, nxpk= 10, iat= 248, 255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 GLY HN 19 VAL MGX 5.50 (# 1261:20 Unique 5.81, 7.66 A)
&rst
ixpk= 1261, nxpk= 20, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 79 LYS HA 18 GLY HN 5.50 (# 1522:10 Unique 5.03, 5.18 A)
&rst
ixpk= 1522, nxpk= 10, iat=1196, 248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ASP HA 18 GLY HN 2.80 (# 1196:10 Unique 2.69, 2.82 A)
&rst
ixpk= 1196, nxpk= 10, iat=1218, 248, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 GLY HN 80 ASP HN 3.50 (# 20:10 Unique 3.19, 3.36 A)
&rst
ixpk= 20, nxpk= 10, iat= 248,1216, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 VAL HA 19 VAL HB 4.50 (# 2814:20 Unique 2.32, 2.94 A)
&rst
ixpk= 2814, nxpk= 20, iat= 257, 259, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 VAL HA 19 VAL HN 3.50 (# 301:10 Unique 2.90, 2.93 A)
&rst
ixpk= 301, nxpk= 10, iat= 257, 255, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 VAL HA 19 VAL MGX 3.50 (# 1256:20 Unique 2.47, 3.27 A)
&rst
ixpk= 1256, nxpk= 20, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 19 VAL HA 19 VAL MGY 3.50 (# 2525:20 Unique 2.47, 3.27 A)
&rst
ixpk= 2525, nxpk= 20, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 20 VAL HN 19 VAL HA 2.80 (# 439:20 Unique 2.13, 2.18 A)
&rst
ixpk= 439, nxpk= 20, iat= 271, 257, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 VAL HA 20 VAL MGY 3.50 (# 1244:20 Unique 3.57, 5.62 A)
&rst
ixpk= 1244, nxpk= 20, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 79 LYS HD+ 19 VAL HA 4.50 (# 442:20 Unique 2.85, 3.91 A)
&rst
ixpk= 442, nxpk= 20, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1204,1205,
&end
#
# 80 ASP HN 19 VAL HA 5.50 (# 440:20 Unique 3.33, 3.71 A)
&rst
ixpk= 440, nxpk= 20, iat=1216, 257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 VAL HB 19 VAL HN 2.80 (# 304:10 Unique 2.45, 2.58 A)
&rst
ixpk= 304, nxpk= 10, iat= 259, 255, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 VAL MGX 19 VAL HB 2.80 (# 2819:20 Unique 2.19, 2.64 A)
&rst
ixpk= 2819, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 261, 262, 263, 265, 266, 267,
&end
#
# 19 VAL HB 19 VAL MGY 2.80 (# 2531:20 Unique 2.19, 2.64 A)
&rst
ixpk= 2531, nxpk= 20, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 19 VAL HB 20 VAL HN 4.50 (# 1255:10 Unique 3.90, 4.15 A)
&rst
ixpk= 1255, nxpk= 10, iat= 259, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 VAL HB 50 LEU HB+ 3.50 (# 2914:20 Unique 2.14, 3.10 A)
&rst
ixpk= 2914, nxpk= 20, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 735, 736,
&end
#
# 19 VAL HB 50 LEU HB- 4.50 (# 2774:20 Unique 2.14, 3.10 A)
&rst
ixpk= 2774, nxpk= 20, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 735, 736,
&end
#
# 19 VAL MGX 19 VAL HN 2.80 (# 305:10 Unique 2.00, 3.81 A)
&rst
ixpk= 305, nxpk= 10, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 261, 262, 263, 265, 266, 267,
&end
#
# 19 VAL MGY 19 VAL HN 3.50 (# 306:10 Unique 2.00, 3.81 A)
&rst
ixpk= 306, nxpk= 10, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 261, 262, 263, 265, 266, 267,
&end
#
# 19 VAL HN 20 VAL HN 5.50 (# 1257:10 Unique 4.50, 4.55 A)
&rst
ixpk= 1257, nxpk= 10, iat= 255, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 VAL HN 20 VAL MGY 4.50 (# 1237:20 Unique 4.53, 6.39 A)
&rst
ixpk= 1237, nxpk= 20, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 50 LEU HB- 19 VAL HN 4.50 (# 316:10 Unique 3.82, 4.94 A)
&rst
ixpk= 316, nxpk= 10, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 735, 736,
&end
#
# 19 VAL MGX 20 VAL HN 4.50 (# 65:10 Unique 2.66, 4.36 A)
&rst
ixpk= 65, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 261, 262, 263, 265, 266, 267,
&end
#
# 19 VAL MGX 79 LYS HA 4.50 (# 483:20 Unique 3.73, 5.10 A)
&rst
ixpk= 483, nxpk= 20, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 261, 262, 263, 265, 266, 267,
&end
#
# 19 VAL MGX 79 LYS HB+ 4.50 (# 1061:20 Unique 2.43, 5.54 A)
&rst
ixpk= 1061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 261, 262, 263, 265, 266, 267,
igr2=1198,1199,
&end
#
# 19 VAL MGX 79 LYS HD+ 3.50 (# 1511:20 Unique 2.22, 4.35 A)
&rst
ixpk= 1511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 261, 262, 263, 265, 266, 267,
igr2=1204,1205,
&end
#
# 19 VAL MGX 79 LYS HE+ 4.50 (# 1944:20 Unique 2.05, 5.30 A)
&rst
ixpk= 1944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 261, 262, 263, 265, 266, 267,
igr2=1207,1208,
&end
#
# 80 ASP HN 19 VAL MGX 4.50 (# 1263:20 Unique 4.60, 6.37 A)
&rst
ixpk= 1263, nxpk= 20, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 84 VAL MGX 19 VAL MGX 4.50 (# 1273:20 Unique 4.67, 7.84 A)
&rst
ixpk= 1273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1272,1273,1274,1276,1277,1278,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 20 VAL HN 19 VAL MGY 3.50 (# 2522:20 Unique 2.66, 4.36 A)
&rst
ixpk= 2522, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 50 LEU HA 19 VAL MGY 4.50 (# 2526:20 Unique 2.06, 4.56 A)
&rst
ixpk= 2526, nxpk= 20, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 51 LYS HN 19 VAL MGY 5.50 (# 2524:20 Unique 3.51, 5.64 A)
&rst
ixpk= 2524, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 78 LEU HN 19 VAL MGY 5.50 (# 2521:20 Unique 3.98, 6.18 A)
&rst
ixpk= 2521, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 19 VAL MGY 79 LYS HA 4.50 (# 482:20 Unique 3.73, 5.10 A)
&rst
ixpk= 482, nxpk= 20, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 261, 262, 263, 265, 266, 267,
&end
#
# 79 LYS HD+ 19 VAL MGY 3.50 (# 2532:20 Unique 2.22, 4.35 A)
&rst
ixpk= 2532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1204,1205,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 84 VAL MGX 19 VAL MGY 4.50 (# 2533:20 Unique 4.67, 7.84 A)
&rst
ixpk= 2533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1272,1273,1274,1276,1277,1278,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 2 ALA MB 2 ALA HA 2.80 (# 320:20 Unique 2.47, 2.68 A)
&rst
ixpk= 320, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 25, 26, 27,
&end
#
# 3 ILE HB 2 ALA HA 4.50 (# 321:20 Unique 4.18, 4.34 A)
&rst
ixpk= 321, nxpk= 20, iat= 35, 23, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 ALA HA 3 ILE HG1- 4.50 (# 1454:20 Unique 3.29, 4.43 A)
&rst
ixpk= 1454, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 41, 42,
&end
#
# 2 ALA HA 3 ILE HN 2.80 (# 321:10 Unique 2.19, 2.29 A)
&rst
ixpk= 321, nxpk= 10, iat= 23, 31, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 3 ILE QD1 2 ALA HA 4.80 (# 322:20 Unique 4.78, 5.64 A)
&rst
ixpk= 322, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 44, 45, 46,
&end
#
# 3 ILE HA 2 ALA MB 5.50 (# 1384:20 Unique 4.81, 5.35 A)
&rst
ixpk= 1384, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 25, 26, 27,
&end
#
# 2 ALA MB 3 ILE HN 2.80 (# 323:10 Unique 2.41, 3.55 A)
&rst
ixpk= 323, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 25, 26, 27,
&end
#
# 4 VAL MGY 2 ALA MB 4.50 (# 1386:20 Unique 4.03, 7.18 A)
&rst
ixpk= 1386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 56, 57, 58, 60, 61, 62,
igr2= 25, 26, 27,
&end
#
# 20 VAL MGX 20 VAL HA 3.50 (# 469:20 Unique 2.40, 3.15 A)
&rst
ixpk= 469, nxpk= 20, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 277, 278, 279, 281, 282, 283,
&end
#
# 20 VAL HA 20 VAL MGY 4.50 (# 1243:20 Unique 2.40, 3.15 A)
&rst
ixpk= 1243, nxpk= 20, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 20 VAL HA 21 LEU HN 5.50 (# 128:10 Unique 2.06, 2.12 A)
&rst
ixpk= 128, nxpk= 10, iat= 273, 287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 LYS HN 20 VAL HA 3.50 (# 465:20 Unique 2.53, 2.65 A)
&rst
ixpk= 465, nxpk= 20, iat= 750, 273, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 VAL HN 20 VAL HB 3.50 (# 1678:20 Unique 2.87, 2.95 A)
&rst
ixpk= 1678, nxpk= 20, iat= 271, 275, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 VAL MGY 20 VAL HB 2.80 (# 1686:20 Unique 2.38, 2.68 A)
&rst
ixpk= 1686, nxpk= 20, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 277, 278, 279, 281, 282, 283,
&end
#
# 53 VAL MGY 20 VAL HB 4.50 (# 1688:20 Unique 4.47, 5.80 A)
&rst
ixpk= 1688, nxpk= 20, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 20 VAL HB 78 LEU HB+ 3.50 (# 2961:20 Unique 2.74, 3.64 A)
&rst
ixpk= 2961, nxpk= 20, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1179,1180,
&end
#
# 20 VAL HB 78 LEU HB- 3.50 (# 2960:20 Unique 2.74, 3.64 A)
&rst
ixpk= 2960, nxpk= 20, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1179,1180,
&end
#
# 78 LEU HN 20 VAL HB 4.50 (# 1680:20 Unique 3.87, 4.05 A)
&rst
ixpk= 1680, nxpk= 20, iat=1175, 275, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 VAL MGX 20 VAL HN 3.50 (# 63:10 Unique 2.93, 4.31 A)
&rst
ixpk= 63, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 277, 278, 279, 281, 282, 283,
&end
#
# 20 VAL HN 20 VAL MGY 3.50 (# 1236:20 Unique 2.93, 4.31 A)
&rst
ixpk= 1236, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 20 VAL HN 21 LEU HN 5.50 (# 1541:10 Unique 4.06, 4.16 A)
&rst
ixpk= 1541, nxpk= 10, iat= 271, 287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 VAL HN 50 LEU MDX 5.50 (# 2676:20 Unique 3.89, 6.46 A)
&rst
ixpk= 2676, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 20 VAL HN 78 LEU HB+ 5.50 (# 2942:20 Unique 3.40, 4.19 A)
&rst
ixpk= 2942, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1179,1180,
&end
#
# 78 LEU HB- 20 VAL HN 4.50 (# 61:10 Unique 3.40, 4.19 A)
&rst
ixpk= 61, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1179,1180,
&end
#
# 78 LEU HN 20 VAL HN 3.50 (# 64:10 Unique 2.94, 3.14 A)
&rst
ixpk= 64, nxpk= 10, iat=1175, 271, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 VAL HN 79 LYS HA 4.50 (# 488:20 Unique 2.81, 3.19 A)
&rst
ixpk= 488, nxpk= 20, iat= 271,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 VAL HN 80 ASP HN 5.50 (# 1320:10 Unique 4.41, 4.68 A)
&rst
ixpk= 1320, nxpk= 10, iat= 271,1216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 VAL HN 84 VAL MGX 5.50 (# 964:20 Unique 5.54, 7.29 A)
&rst
ixpk= 964, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 21 LEU HN 20 VAL MGX 3.50 (# 2560:20 Unique 2.66, 4.39 A)
&rst
ixpk= 2560, nxpk= 20, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 20 VAL MGX 51 LYS HB+ 3.50 (# 1761:20 Unique 2.26, 4.50 A)
&rst
ixpk= 1761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 277, 278, 279, 281, 282, 283,
igr2= 754, 755,
&end
#
# 20 VAL MGX 51 LYS HN 5.50 (# 1362:10 Unique 3.21, 4.71 A)
&rst
ixpk= 1362, nxpk= 10, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 277, 278, 279, 281, 282, 283,
&end
#
# 20 VAL MGX 53 VAL HB 3.50 (# 2906:20 Unique 2.14, 4.23 A)
&rst
ixpk= 2906, nxpk= 20, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 277, 278, 279, 281, 282, 283,
&end
#
# 20 VAL MGX 53 VAL HN 3.50 (# 218:10 Unique 2.65, 5.08 A)
&rst
ixpk= 218, nxpk= 10, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 277, 278, 279, 281, 282, 283,
&end
#
# 21 LEU HN 20 VAL MGY 3.50 (# 1235:20 Unique 2.66, 4.39 A)
&rst
ixpk= 1235, nxpk= 20, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 50 LEU HA 20 VAL MGY 4.50 (# 1246:20 Unique 4.80, 6.51 A)
&rst
ixpk= 1246, nxpk= 20, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 20 VAL MGY 51 LYS HB+ 3.50 (# 1760:20 Unique 2.26, 4.50 A)
&rst
ixpk= 1760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 277, 278, 279, 281, 282, 283,
igr2= 754, 755,
&end
#
# 51 LYS HD+ 20 VAL MGY 3.50 (# 1252:20 Unique 4.00, 5.37 A)
&rst
ixpk= 1252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 760, 761,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 51 LYS HE+ 20 VAL MGY 5.50 (# 1250:20 Unique 2.11, 3.50 A)
&rst
ixpk= 1250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 763, 764,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 51 LYS HE- 20 VAL MGY 5.50 (# 1249:20 Unique 2.11, 3.50 A)
&rst
ixpk= 1249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 763, 764,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 78 LEU HN 20 VAL MGY 5.50 (# 1238:20 Unique 4.99, 6.04 A)
&rst
ixpk= 1238, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 80 ASP HN 20 VAL MGY 5.50 (# 1239:20 Unique 3.85, 6.42 A)
&rst
ixpk= 1239, nxpk= 20, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 21 LEU HA 21 LEU HB+ 3.50 (# 2764:20 Unique 2.34, 2.76 A)
&rst
ixpk= 2764, nxpk= 20, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 291, 292,
&end
#
# 21 LEU HA 21 LEU HB- 4.50 (# 2924:20 Unique 2.34, 2.76 A)
&rst
ixpk= 2924, nxpk= 20, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 291, 292,
&end
#
# 21 LEU HA 21 LEU HN 3.50 (# 127:10 Unique 2.97, 2.99 A)
&rst
ixpk= 127, nxpk= 10, iat= 289, 287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 ALA HN 21 LEU HA 2.80 (# 539:20 Unique 2.19, 2.23 A)
&rst
ixpk= 539, nxpk= 20, iat= 306, 289, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 21 LEU HA 50 LEU MDX 5.50 (# 2672:20 Unique 3.76, 5.78 A)
&rst
ixpk= 2672, nxpk= 20, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 77 VAL HA 21 LEU HA 3.50 (# 536:20 Unique 2.37, 2.58 A)
&rst
ixpk= 536, nxpk= 20, iat=1161, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 LEU HA 78 LEU HN 3.50 (# 38:10 Unique 3.41, 3.53 A)
&rst
ixpk= 38, nxpk= 10, iat= 289,1175, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 LEU HG 21 LEU HB+ 3.50 (# 2768:20 Unique 2.37, 2.75 A)
&rst
ixpk= 2768, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 291, 292,
&end
#
# 21 LEU HN 21 LEU HB+ 3.50 (# 2771:20 Unique 2.23, 2.69 A)
&rst
ixpk= 2771, nxpk= 20, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 291, 292,
&end
#
# 22 ALA HN 21 LEU HB+ 5.50 (# 2772:20 Unique 4.25, 4.47 A)
&rst
ixpk= 2772, nxpk= 20, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 291, 292,
&end
#
# 50 LEU MDX 21 LEU HB+ 2.80 (# 2770:20 Unique 2.18, 3.91 A)
&rst
ixpk= 2770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 740, 741, 742, 744, 745, 746,
igr2= 291, 292,
&end
#
# 52 ILE HA 21 LEU HB+ 4.50 (# 2765:20 Unique 2.38, 3.29 A)
&rst
ixpk= 2765, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 291, 292,
&end
#
# 52 ILE HG1- 21 LEU HB+ 3.50 (# 2929:20 Unique 2.17, 3.69 A)
&rst
ixpk= 2929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 782, 783,
igr2= 291, 292,
&end
#
# 21 LEU HG 21 LEU HB- 3.50 (# 2928:20 Unique 2.37, 2.75 A)
&rst
ixpk= 2928, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 291, 292,
&end
#
# 21 LEU HB- 21 LEU HN 2.80 (# 129:10 Unique 2.23, 2.69 A)
&rst
ixpk= 129, nxpk= 10, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 291, 292,
&end
#
# 21 LEU HB- 21 LEU MDY 3.50 (# 2606:20 Unique 2.38, 3.33 A)
&rst
ixpk= 2606, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 291, 292,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 21 LEU HB- 22 ALA HN 5.50 (# 1330:10 Unique 4.25, 4.47 A)
&rst
ixpk= 1330, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 291, 292,
&end
#
# 21 LEU HB- 50 LEU MDY 4.50 (# 3104:20 Unique 2.18, 3.91 A)
&rst
ixpk= 3104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 291, 292,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 52 ILE HA 21 LEU HB- 4.50 (# 2923:20 Unique 2.38, 3.29 A)
&rst
ixpk= 2923, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 291, 292,
&end
#
# 52 ILE HG1- 21 LEU HB- 3.50 (# 2930:20 Unique 2.17, 3.69 A)
&rst
ixpk= 2930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 782, 783,
igr2= 291, 292,
&end
#
# 21 LEU HB- 52 ILE QD1 3.50 (# 1130:20 Unique 3.60, 5.12 A)
&rst
ixpk= 1130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 291, 292,
igr2= 785, 786, 787,
&end
#
# 21 LEU HB- 52 ILE QG2 3.50 (# 1155:20 Unique 2.59, 4.84 A)
&rst
ixpk= 1155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 291, 292,
igr2= 778, 779, 780,
&end
#
# 21 LEU HB- 53 VAL HN 5.50 (# 1363:10 Unique 3.67, 4.55 A)
&rst
ixpk= 1363, nxpk= 10, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 291, 292,
&end
#
# 22 ALA HN 21 LEU HN 5.50 (# 1540:10 Unique 4.10, 4.25 A)
&rst
ixpk= 1540, nxpk= 10, iat= 306, 287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LEU HN 50 LEU MDX 3.50 (# 2675:20 Unique 2.11, 4.38 A)
&rst
ixpk= 2675, nxpk= 20, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 21 LEU HN 50 LEU MDY 4.50 (# 3110:20 Unique 2.11, 4.38 A)
&rst
ixpk= 3110, nxpk= 20, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 21 LEU HN 52 ILE HA 3.50 (# 2:50)
&rst
ixpk= 2, nxpk= 50, iat= 287, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 ALA HN 21 LEU MDX 3.50 (# 2639:20 Unique 2.69, 4.99 A)
&rst
ixpk= 2639, nxpk= 20, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 21 LEU MDX 75 LEU HB+ 3.50 (# 2968:20 Unique 2.23, 4.74 A)
&rst
ixpk= 2968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 296, 297, 298, 300, 301, 302,
igr2=1125,1126,
&end
#
# 22 ALA HN 22 ALA HA 4.50 (# 420:20 Unique 2.94, 2.97 A)
&rst
ixpk= 420, nxpk= 20, iat= 306, 308, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ALA HA 22 ALA MB 2.80 (# 1335:20 Unique 2.35, 2.64 A)
&rst
ixpk= 1335, nxpk= 20, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 310, 311, 312,
&end
#
# 23 ASP HB+ 22 ALA HA 5.50 (# 409:20 Unique 4.40, 4.66 A)
&rst
ixpk= 409, nxpk= 20, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 320, 321,
&end
#
# 23 ASP HB- 22 ALA HA 4.50 (# 415:20 Unique 4.40, 4.66 A)
&rst
ixpk= 415, nxpk= 20, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 320, 321,
&end
#
# 22 ALA HA 23 ASP HN 2.80 (# 446:10 Unique 2.12, 2.14 A)
&rst
ixpk= 446, nxpk= 10, iat= 308, 316, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 22 ALA HA 53 VAL HB 3.50 (# 2901:20 Unique 2.35, 2.62 A)
&rst
ixpk= 2901, nxpk= 20, iat= 308, 795, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 ALA HA 53 VAL HN 2.80 (# 211:10 Unique 2.53, 2.77 A)
&rst
ixpk= 211, nxpk= 10, iat= 308, 791, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 22 ALA HA 53 VAL MGY 3.50 (# 2488:20 Unique 2.33, 4.46 A)
&rst
ixpk= 2488, nxpk= 20, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 54 LYS HD+ 22 ALA HA 5.50 (# 407:20 Unique 5.54, 6.48 A)
&rst
ixpk= 407, nxpk= 20, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 817, 818,
&end
#
# 54 LYS HD- 22 ALA HA 5.50 (# 406:20 Unique 5.54, 6.48 A)
&rst
ixpk= 406, nxpk= 20, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 817, 818,
&end
#
# 22 ALA MB 22 ALA HN 2.80 (# 34:10 Unique 2.34, 3.01 A)
&rst
ixpk= 34, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 310, 311, 312,
&end
#
# 22 ALA HN 23 ASP HN 5.50 (# 1537:10 Unique 4.13, 4.25 A)
&rst
ixpk= 1537, nxpk= 10, iat= 306, 316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LEU HA 22 ALA HN 5.50 (# 1324:10 Unique 4.26, 4.73 A)
&rst
ixpk= 1324, nxpk= 10, iat=1123, 306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 LEU HB- 22 ALA HN 4.50 (# 32:10 Unique 3.20, 3.63 A)
&rst
ixpk= 32, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1144,1145,
&end
#
# 22 ALA HN 76 LEU HN 3.50 (# 516:10 Unique 3.13, 3.37 A)
&rst
ixpk= 516, nxpk= 10, iat= 306,1140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 VAL HA 22 ALA HN 4.50 (# 31:10 Unique 3.38, 3.51 A)
&rst
ixpk= 31, nxpk= 10, iat=1161, 306, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ALA HN 77 VAL MGX 5.50 (# 1219:20 Unique 4.44, 5.94 A)
&rst
ixpk= 1219, nxpk= 20, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 22 ALA HN 78 LEU MDX 4.50 (# 2626:20 Unique 2.75, 5.33 A)
&rst
ixpk= 2626, nxpk= 20, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 24 PHE HD 22 ALA MB 4.50 (# 1329:20 Unique 3.40, 5.46 A)
&rst
ixpk= 1329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 336, 344,
igr2= 310, 311, 312,
&end
#
# 22 ALA MB 53 VAL HB 3.50 (# 2904:20 Unique 2.59, 3.91 A)
&rst
ixpk= 2904, nxpk= 20, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 310, 311, 312,
&end
#
# 53 VAL MGY 22 ALA MB 3.50 (# 1339:20 Unique 2.62, 5.32 A)
&rst
ixpk= 1339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 797, 798, 799, 801, 802, 803,
igr2= 310, 311, 312,
&end
#
# 55 ILE QD1 22 ALA MB 4.50 (# 1340:20 Unique 4.10, 6.40 A)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 842, 843, 844,
igr2= 310, 311, 312,
&end
#
# 75 LEU HA 22 ALA MB 5.50 (# 1326:20 Unique 4.90, 5.81 A)
&rst
ixpk= 1326, nxpk= 20, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 310, 311, 312,
&end
#
# 76 LEU HB- 22 ALA MB 3.50 (# 1337:20 Unique 2.17, 3.61 A)
&rst
ixpk= 1337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1144,1145,
igr2= 310, 311, 312,
&end
#
# 22 ALA MB 76 LEU HN 3.50 (# 520:10 Unique 3.10, 4.22 A)
&rst
ixpk= 520, nxpk= 10, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 310, 311, 312,
&end
#
# 78 LEU MDX 22 ALA MB 2.80 (# 1338:20 Unique 2.37, 4.84 A)
&rst
ixpk= 1338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1184,1185,1186,1188,1189,1190,
igr2= 310, 311, 312,
&end
#
# 23 ASP HB+ 23 ASP HA 3.50 (# 546:20 Unique 2.38, 2.71 A)
&rst
ixpk= 546, nxpk= 20, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 320, 321,
&end
#
# 23 ASP HB- 23 ASP HA 3.50 (# 545:20 Unique 2.38, 2.71 A)
&rst
ixpk= 545, nxpk= 20, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 320, 321,
&end
#
# 24 PHE HB- 23 ASP HA 5.50 (# 549:20 Unique 4.36, 5.06 A)
&rst
ixpk= 549, nxpk= 20, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 332, 333,
&end
#
# 24 PHE HD 23 ASP HA 4.50 (# 551:20 Unique 3.75, 5.51 A)
&rst
ixpk= 551, nxpk= 20, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 336, 344,
&end
#
# 75 LEU HA 23 ASP HA 3.50 (# 550:20 Unique 2.53, 2.65 A)
&rst
ixpk= 550, nxpk= 20, iat=1123, 318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 ASP HA 75 LEU HG 4.50 (# 1525:20 Unique 3.16, 4.32 A)
&rst
ixpk= 1525, nxpk= 20, iat= 318,1128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 ASP HA 75 LEU MDX 3.50 (# 2751:20 Unique 2.12, 4.40 A)
&rst
ixpk= 2751, nxpk= 20, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1130,1131,1132,1134,1135,1136,
&end
#
# 23 ASP HA 76 LEU HN 4.50 (# 513:10 Unique 3.55, 3.72 A)
&rst
ixpk= 513, nxpk= 10, iat= 318,1140, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 ASP HB+ 23 ASP HN 2.80 (# 448:10 Unique 2.29, 2.61 A)
&rst
ixpk= 448, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 320, 321,
&end
#
# 23 ASP HB+ 24 PHE HN 5.50 (# 1350:10 Unique 4.33, 4.46 A)
&rst
ixpk= 1350, nxpk= 10, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 320, 321,
&end
#
# 23 ASP HB+ 54 LYS HA 3.50 (# 496:20 Unique 2.48, 3.58 A)
&rst
ixpk= 496, nxpk= 20, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 320, 321,
&end
#
# 23 ASP HB+ 75 LEU MDX 3.50 (# 2749:20 Unique 2.39, 5.30 A)
&rst
ixpk= 2749, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 320, 321,
igr2=1130,1131,1132,1134,1135,1136,
&end
#
# 23 ASP HB- 23 ASP HN 2.80 (# 443:10 Unique 2.29, 2.61 A)
&rst
ixpk= 443, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 320, 321,
&end
#
# 23 ASP HB- 24 PHE HN 5.50 (# 1349:10 Unique 4.33, 4.46 A)
&rst
ixpk= 1349, nxpk= 10, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 320, 321,
&end
#
# 23 ASP HB- 52 ILE QG2 5.50 (# 1153:20 Unique 3.46, 4.02 A)
&rst
ixpk= 1153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 320, 321,
igr2= 778, 779, 780,
&end
#
# 23 ASP HB- 54 LYS HA 3.50 (# 493:20 Unique 2.48, 3.58 A)
&rst
ixpk= 493, nxpk= 20, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 320, 321,
&end
#
# 23 ASP HB- 54 LYS HB+ 4.50 (# 1723:20 Unique 4.72, 5.95 A)
&rst
ixpk= 1723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 320, 321,
igr2= 811, 812,
&end
#
# 23 ASP HB- 54 LYS HG- 4.50 (# 1582:20 Unique 3.52, 5.07 A)
&rst
ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 320, 321,
igr2= 814, 815,
&end
#
# 23 ASP HB- 55 ILE HN 4.50 (# 1392:10 Unique 3.79, 4.77 A)
&rst
ixpk= 1392, nxpk= 10, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 320, 321,
&end
#
# 75 LEU MDX 23 ASP HB- 4.50 (# 1883:20 Unique 2.39, 5.30 A)
&rst
ixpk= 1883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1130,1131,1132,1134,1135,1136,
igr2= 320, 321,
&end
#
# 23 ASP HN 52 ILE QG2 5.50 (# 1151:20 Unique 3.56, 4.13 A)
&rst
ixpk= 1151, nxpk= 20, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 778, 779, 780,
&end
#
# 23 ASP HN 53 VAL HB 5.50 (# 2900:20 Unique 4.13, 4.29 A)
&rst
ixpk= 2900, nxpk= 20, iat= 316, 795, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 ASP HN 53 VAL MGY 4.50 (# 2486:20 Unique 3.42, 5.69 A)
&rst
ixpk= 2486, nxpk= 20, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 23 ASP HN 54 LYS HA 3.50 (# 489:20 Unique 2.95, 3.11 A)
&rst
ixpk= 489, nxpk= 20, iat= 316, 809, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 PHE HA 24 PHE HB+ 3.50 (# 811:20 Unique 2.50, 2.79 A)
&rst
ixpk= 811, nxpk= 20, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 332, 333,
&end
#
# 24 PHE HA 24 PHE HB- 3.50 (# 718:20 Unique 2.50, 2.79 A)
&rst
ixpk= 718, nxpk= 20, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 332, 333,
&end
#
# 24 PHE HD 24 PHE HA 4.50 (# 477:20 Unique 2.88, 3.47 A)
&rst
ixpk= 477, nxpk= 20, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 336, 344,
&end
#
# 24 PHE HN 24 PHE HA 4.50 (# 481:20 Unique 2.93, 2.94 A)
&rst
ixpk= 481, nxpk= 20, iat= 328, 330, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 TRP HD1 24 PHE HA 4.50 (# 478:20 Unique 3.22, 3.33 A)
&rst
ixpk= 478, nxpk= 20, iat= 356, 330, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 PHE HA 25 TRP HN 2.80 (# 391:10 Unique 2.14, 2.19 A)
&rst
ixpk= 391, nxpk= 10, iat= 330, 348, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 55 ILE HN 24 PHE HA 4.50 (# 480:20 Unique 3.08, 3.29 A)
&rst
ixpk= 480, nxpk= 20, iat= 829, 330, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 PHE HA 55 ILE QG2 3.50 (# 929:20 Unique 2.07, 3.12 A)
&rst
ixpk= 929, nxpk= 20, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 835, 836, 837,
&end
#
# 24 PHE HA 57 VAL MGY 4.50 (# 2460:20 Unique 3.44, 5.35 A)
&rst
ixpk= 2460, nxpk= 20, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 24 PHE HD 24 PHE HB+ 3.50 (# 812:20 Unique 2.39, 3.09 A)
&rst
ixpk= 812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 336, 344,
igr2= 332, 333,
&end
#
# 24 PHE HB+ 24 PHE HN 3.50 (# 110:10 Unique 2.27, 2.96 A)
&rst
ixpk= 110, nxpk= 10, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 332, 333,
&end
#
# 24 PHE HB+ 25 TRP HN 4.50 (# 393:10 Unique 3.48, 4.00 A)
&rst
ixpk= 393, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 332, 333,
&end
#
# 24 PHE HB+ 57 VAL MGX 4.50 (# 1172:20 Unique 2.36, 4.90 A)
&rst
ixpk= 1172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 332, 333,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 24 PHE HB+ 57 VAL MGY 3.50 (# 2456:20 Unique 2.36, 4.90 A)
&rst
ixpk= 2456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 332, 333,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 24 PHE HB+ 69 VAL MGX 5.50 (# 1011:20 Unique 2.38, 4.62 A)
&rst
ixpk= 1011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 332, 333,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 24 PHE HB+ 69 VAL MGY 3.50 (# 1210:20 Unique 2.38, 4.62 A)
&rst
ixpk= 1210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 332, 333,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 24 PHE HB+ 72 ILE QG2 5.50 (# 1178:20 Unique 2.45, 4.02 A)
&rst
ixpk= 1178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 332, 333,
igr2=1080,1081,1082,
&end
#
# 74 THR HB 24 PHE HB+ 4.50 (# 810:20 Unique 2.12, 2.75 A)
&rst
ixpk= 810, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 332, 333,
&end
#
# 24 PHE HB+ 74 THR HN 4.50 (# 573:10 Unique 3.09, 3.72 A)
&rst
ixpk= 573, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 332, 333,
&end
#
# 74 THR MG2 24 PHE HB+ 5.50 (# 808:20 Unique 2.90, 4.60 A)
&rst
ixpk= 808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1113,1114,1115,
igr2= 332, 333,
&end
#
# 24 PHE HD 24 PHE HB- 3.50 (# 717:20 Unique 2.39, 3.09 A)
&rst
ixpk= 717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 336, 344,
igr2= 332, 333,
&end
#
# 24 PHE HB- 24 PHE HN 3.50 (# 109:10 Unique 2.27, 2.96 A)
&rst
ixpk= 109, nxpk= 10, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 332, 333,
&end
#
# 24 PHE HB- 25 TRP HN 5.50 (# 1239:10 Unique 3.48, 4.00 A)
&rst
ixpk= 1239, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 332, 333,
&end
#
# 24 PHE HB- 57 VAL MGY 4.50 (# 2457:20 Unique 2.36, 4.90 A)
&rst
ixpk= 2457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 332, 333,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 24 PHE HB- 69 VAL MGX 4.50 (# 996:20 Unique 2.38, 4.62 A)
&rst
ixpk= 996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 332, 333,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 24 PHE HB- 69 VAL MGY 4.50 (# 1209:20 Unique 2.38, 4.62 A)
&rst
ixpk= 1209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 332, 333,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 24 PHE HB- 72 ILE QG2 4.50 (# 1179:20 Unique 2.45, 4.02 A)
&rst
ixpk= 1179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 332, 333,
igr2=1080,1081,1082,
&end
#
# 24 PHE HB- 74 THR HB 3.50 (# 4:20 Unique 2.12, 2.75 A)
&rst
ixpk= 4, nxpk= 20, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 332, 333,
&end
#
# 24 PHE HB- 74 THR HN 3.50 (# 571:10 Unique 3.09, 3.72 A)
&rst
ixpk= 571, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 332, 333,
&end
#
# 24 PHE HB- 74 THR MG2 4.50 (# 1288:20 Unique 2.90, 4.60 A)
&rst
ixpk= 1288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 332, 333,
igr2=1113,1114,1115,
&end
#
# 24 PHE HD 24 PHE HN 3.50 (# 106:10 Unique 2.29, 3.75 A)
&rst
ixpk= 106, nxpk= 10, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 336, 344,
&end
#
# 24 PHE HD 55 ILE QG2 4.50 (# 923:20 Unique 2.75, 4.04 A)
&rst
ixpk= 923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 336, 344,
igr2= 835, 836, 837,
&end
#
# 24 PHE HD 57 VAL MGX 4.50 (# 1166:20 Unique 2.06, 6.03 A)
&rst
ixpk= 1166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 336, 344,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 24 PHE HD 57 VAL MGY 3.50 (# 2461:20 Unique 2.06, 6.03 A)
&rst
ixpk= 2461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 336, 344,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 24 PHE HD 64 ALA HA 4.50 (# 297:20 Unique 2.87, 4.68 A)
&rst
ixpk= 297, nxpk= 20, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 336, 344,
&end
#
# 24 PHE HD 64 ALA MB 3.50 (# 2388:20 Unique 2.27, 5.06 A)
&rst
ixpk= 2388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 336, 344,
igr2= 967, 968, 969,
&end
#
# 24 PHE HD 69 VAL MGX 4.50 (# 1003:20 Unique 2.77, 5.36 A)
&rst
ixpk= 1003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 336, 344,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 24 PHE HD 69 VAL MGY 4.50 (# 1205:20 Unique 2.77, 5.36 A)
&rst
ixpk= 1205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 336, 344,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 24 PHE HD 74 THR HB 4.50 (# 9:20 Unique 4.06, 4.81 A)
&rst
ixpk= 9, nxpk= 20, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 336, 344,
&end
#
# 24 PHE HD 74 THR HN 5.50 (# 1301:10 Unique 4.94, 5.85 A)
&rst
ixpk= 1301, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 336, 344,
&end
#
# 24 PHE HD 74 THR MG2 4.50 (# 1279:20 Unique 3.10, 5.73 A)
&rst
ixpk= 1279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 336, 344,
igr2=1113,1114,1115,
&end
#
# 24 PHE HD 75 LEU HA 5.50 (# 592:20 Unique 3.67, 5.87 A)
&rst
ixpk= 592, nxpk= 20, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 336, 344,
&end
#
# 24 PHE HD 76 LEU HN 5.50 (# 1421:10 Unique 2.83, 5.10 A)
&rst
ixpk= 1421, nxpk= 10, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 336, 344,
&end
#
# 24 PHE HN 57 VAL MGY 5.50 (# 2465:20 Unique 5.55, 7.33 A)
&rst
ixpk= 2465, nxpk= 20, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 74 THR HB 24 PHE HN 5.50 (# 1348:10 Unique 3.92, 4.02 A)
&rst
ixpk= 1348, nxpk= 10, iat=1111, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 PHE HN 74 THR HN 4.50 (# 566:10 Unique 3.28, 3.46 A)
&rst
ixpk= 566, nxpk= 10, iat= 328,1107, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 LEU HA 24 PHE HN 4.50 (# 107:10 Unique 3.05, 3.19 A)
&rst
ixpk= 107, nxpk= 10, iat=1123, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 LEU MDX 24 PHE HN 4.50 (# 111:10 Unique 3.32, 5.83 A)
&rst
ixpk= 111, nxpk= 10, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1130,1131,1132,1134,1135,1136,
&end
#
# 24 PHE HN 76 LEU HN 4.50 (# 515:10 Unique 3.63, 3.67 A)
&rst
ixpk= 515, nxpk= 10, iat= 328,1140, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 TRP HA 25 TRP HB+ 3.50 (# 780:20 Unique 2.34, 2.44 A)
&rst
ixpk= 780, nxpk= 20, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 352, 353,
&end
#
# 25 TRP HA 25 TRP HN 3.50 (# 385:10 Unique 2.97, 2.98 A)
&rst
ixpk= 385, nxpk= 10, iat= 350, 348, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 TRP HA 26 ALA HN 2.80 (# 764:10 Unique 2.55, 2.59 A)
&rst
ixpk= 764, nxpk= 10, iat= 350, 372, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 26 ALA MB 25 TRP HA 5.50 (# 501:20 Unique 4.52, 5.07 A)
&rst
ixpk= 501, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 376, 377, 378,
&end
#
# 25 TRP HA 32 CYS HB- 5.50 (# 743:20 Unique 3.97, 4.24 A)
&rst
ixpk= 743, nxpk= 20, iat= 350, 457, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 VAL MGX 25 TRP HA 5.50 (# 503:20 Unique 3.84, 5.32 A)
&rst
ixpk= 503, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 25 TRP HA 72 ILE HB 4.50 (# 1844:20 Unique 2.13, 2.28 A)
&rst
ixpk= 1844, nxpk= 20, iat= 350,1078, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 TRP HA 72 ILE QD1 4.50 (# 945:20 Unique 2.81, 5.01 A)
&rst
ixpk= 945, nxpk= 20, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1087,1088,1089,
&end
#
# 25 TRP HA 72 ILE QG2 4.50 (# 1192:20 Unique 2.51, 3.41 A)
&rst
ixpk= 1192, nxpk= 20, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1080,1081,1082,
&end
#
# 25 TRP HB+ 25 TRP HD1 4.50 (# 3182:20 Unique 2.80, 3.36 A)
&rst
ixpk= 3182, nxpk= 20, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 352, 353,
&end
#
# 25 TRP HB+ 25 TRP HN 4.50 (# 392:10 Unique 3.11, 3.52 A)
&rst
ixpk= 392, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 352, 353,
&end
#
# 25 TRP HZ3 25 TRP HB+ 5.50 (# 778:20 Unique 4.94, 5.60 A)
&rst
ixpk= 778, nxpk= 20, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 352, 353,
&end
#
# 25 TRP HB+ 26 ALA HN 2.80 (# 768:10 Unique 2.28, 3.12 A)
&rst
ixpk= 768, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 352, 353,
&end
#
# 25 TRP HB+ 32 CYS HA 5.50 (# 2245:20 Unique 4.04, 4.64 A)
&rst
ixpk= 2245, nxpk= 20, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 352, 353,
&end
#
# 25 TRP HB+ 32 CYS HB+ 3.50 (# 750:20 Unique 2.67, 4.24 A)
&rst
ixpk= 750, nxpk= 20, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 352, 353,
&end
#
# 25 TRP HB+ 32 CYS HB- 3.50 (# 752:20 Unique 2.25, 3.18 A)
&rst
ixpk= 752, nxpk= 20, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 352, 353,
&end
#
# 72 ILE QD1 25 TRP HB+ 5.50 (# 785:20 Unique 4.31, 7.04 A)
&rst
ixpk= 785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1087,1088,1089,
igr2= 352, 353,
&end
#
# 72 ILE QG2 25 TRP HB+ 5.50 (# 784:20 Unique 4.72, 5.65 A)
&rst
ixpk= 784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1080,1081,1082,
igr2= 352, 353,
&end
#
# 25 TRP HD1 25 TRP HE1 3.50 (# 12:10 Unique 2.55, 2.56 A)
&rst
ixpk= 12, nxpk= 10, iat= 356, 358, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 TRP HD1 25 TRP HN 2.80 (# 384:10 Unique 2.23, 2.34 A)
&rst
ixpk= 384, nxpk= 10, iat= 356, 348, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 TRP HD1 54 LYS HA 4.50 (# 492:20 Unique 3.54, 3.66 A)
&rst
ixpk= 492, nxpk= 20, iat= 356, 809, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 TRP HD1 54 LYS HB+ 4.50 (# 1715:20 Unique 3.59, 4.71 A)
&rst
ixpk= 1715, nxpk= 20, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 811, 812,
&end
#
# 54 LYS HB- 25 TRP HD1 4.50 (# 3183:20 Unique 3.59, 4.71 A)
&rst
ixpk= 3183, nxpk= 20, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 811, 812,
&end
#
# 25 TRP HD1 55 ILE HN 3.50 (# 398:10 Unique 2.23, 2.31 A)
&rst
ixpk= 398, nxpk= 10, iat= 356, 829, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 TRP HD1 55 ILE QG2 4.50 (# 924:20 Unique 4.22, 4.89 A)
&rst
ixpk= 924, nxpk= 20, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 835, 836, 837,
&end
#
# 25 TRP HD1 56 ASP HA 4.50 (# 313:20 Unique 3.36, 3.56 A)
&rst
ixpk= 313, nxpk= 20, iat= 356, 850, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 TRP HD1 56 ASP HN 5.50 (# 1246:10 Unique 4.14, 4.51 A)
&rst
ixpk= 1246, nxpk= 10, iat= 356, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 TRP HD1 57 VAL HN 5.50 (# 1383:10 Unique 4.88, 5.11 A)
&rst
ixpk= 1383, nxpk= 10, iat= 356, 860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 TRP HD1 57 VAL MGX 5.50 (# 1168:20 Unique 5.10, 6.90 A)
&rst
ixpk= 1168, nxpk= 20, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 25 TRP HN 25 TRP HE1 5.50 (# 1312:10 Unique 4.39, 4.43 A)
&rst
ixpk= 1312, nxpk= 10, iat= 348, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 TRP HZ2 25 TRP HE1 4.50 (# 11:10 Unique 2.89, 2.90 A)
&rst
ixpk= 11, nxpk= 10, iat= 361, 358, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 LYS HB+ 25 TRP HE1 4.50 (# 17:10 Unique 2.43, 3.47 A)
&rst
ixpk= 17, nxpk= 10, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 811, 812,
&end
#
# 54 LYS HB- 25 TRP HE1 3.50 (# 13:10 Unique 2.43, 3.47 A)
&rst
ixpk= 13, nxpk= 10, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 811, 812,
&end
#
# 54 LYS HE+ 25 TRP HE1 5.50 (# 1317:10 Unique 4.85, 5.70 A)
&rst
ixpk= 1317, nxpk= 10, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 820, 821,
&end
#
# 54 LYS HG+ 25 TRP HE1 5.50 (# 1318:10 Unique 2.53, 4.40 A)
&rst
ixpk= 1318, nxpk= 10, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 814, 815,
&end
#
# 55 ILE HA 25 TRP HE1 5.50 (# 1314:10 Unique 3.60, 3.81 A)
&rst
ixpk= 1314, nxpk= 10, iat= 831, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ILE HN 25 TRP HE1 5.50 (# 1310:10 Unique 3.15, 3.29 A)
&rst
ixpk= 1310, nxpk= 10, iat= 829, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 ASP HA 25 TRP HE1 5.50 (# 1313:10 Unique 3.50, 3.78 A)
&rst
ixpk= 1313, nxpk= 10, iat= 850, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 TRP HE1 56 ASP HB+ 4.50 (# 2909:20 Unique 3.07, 4.20 A)
&rst
ixpk= 2909, nxpk= 20, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 852, 853,
&end
#
# 56 ASP HB- 25 TRP HE1 5.50 (# 1316:10 Unique 3.07, 4.20 A)
&rst
ixpk= 1316, nxpk= 10, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 852, 853,
&end
#
# 56 ASP HN 25 TRP HE1 5.50 (# 1311:10 Unique 3.14, 3.70 A)
&rst
ixpk= 1311, nxpk= 10, iat= 848, 358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 TRP HH2 25 TRP HZ2 3.50 (# 575:20 Unique 2.49, 2.49 A)
&rst
ixpk= 575, nxpk= 20, iat= 363, 361, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 TRP HH2 27 PRO HB- 3.50 (# 3134:20 Unique 3.04, 4.03 A)
&rst
ixpk= 3134, nxpk= 20, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 389, 390,
&end
#
# 25 TRP HH2 27 PRO HG+ 5.50 (# 1434:20 Unique 4.12, 5.36 A)
&rst
ixpk= 1434, nxpk= 20, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 386, 387,
&end
#
# 25 TRP HH2 27 PRO HG- 4.50 (# 1435:20 Unique 4.12, 5.36 A)
&rst
ixpk= 1435, nxpk= 20, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 386, 387,
&end
#
# 25 TRP HN 55 ILE HN 4.50 (# 397:10 Unique 3.61, 3.70 A)
&rst
ixpk= 397, nxpk= 10, iat= 348, 829, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 ILE QG2 25 TRP HN 4.50 (# 388:10 Unique 3.76, 4.82 A)
&rst
ixpk= 388, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 835, 836, 837,
&end
#
# 25 TRP HN 56 ASP HA 3.50 (# 316:20 Unique 2.79, 2.96 A)
&rst
ixpk= 316, nxpk= 20, iat= 348, 850, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 TRP HN 57 VAL HN 3.50 (# 328:10 Unique 3.28, 3.41 A)
&rst
ixpk= 328, nxpk= 10, iat= 348, 860, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 TRP HN 57 VAL MGX 4.50 (# 1162:20 Unique 2.83, 4.74 A)
&rst
ixpk= 1162, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 57 VAL MGY 25 TRP HN 3.50 (# 387:10 Unique 2.83, 4.74 A)
&rst
ixpk= 387, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 72 ILE QG2 25 TRP HN 5.50 (# 1241:10 Unique 3.42, 4.37 A)
&rst
ixpk= 1241, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1080,1081,1082,
&end
#
# 25 TRP HZ2 54 LYS HE+ 5.50 (# 1856:20 Unique 4.88, 6.29 A)
&rst
ixpk= 1856, nxpk= 20, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 820, 821,
&end
#
# 25 TRP HZ2 56 ASP HB+ 4.50 (# 1835:20 Unique 3.65, 4.84 A)
&rst
ixpk= 1835, nxpk= 20, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 852, 853,
&end
#
# 56 ASP HB- 25 TRP HZ2 5.50 (# 3237:20 Unique 3.65, 4.84 A)
&rst
ixpk= 3237, nxpk= 20, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 852, 853,
&end
#
# 25 TRP HZ3 27 PRO HA 3.50 (# 2201:20 Unique 2.18, 2.25 A)
&rst
ixpk= 2201, nxpk= 20, iat= 365, 392, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 TRP HZ3 27 PRO HB+ 4.50 (# 3131:20 Unique 2.42, 3.40 A)
&rst
ixpk= 3131, nxpk= 20, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 389, 390,
&end
#
# 25 TRP HZ3 27 PRO HB- 3.50 (# 3132:20 Unique 2.42, 3.40 A)
&rst
ixpk= 3132, nxpk= 20, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 389, 390,
&end
#
# 25 TRP HZ3 27 PRO HD- 5.50 (# 3112:20 Unique 3.53, 4.70 A)
&rst
ixpk= 3112, nxpk= 20, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 383, 384,
&end
#
# 25 TRP HZ3 27 PRO HG+ 5.50 (# 1432:20 Unique 4.41, 5.13 A)
&rst
ixpk= 1432, nxpk= 20, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 386, 387,
&end
#
# 25 TRP HZ3 27 PRO HG- 5.50 (# 1433:20 Unique 4.41, 5.13 A)
&rst
ixpk= 1433, nxpk= 20, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 386, 387,
&end
#
# 26 ALA HN 26 ALA HA 3.50 (# 331:20 Unique 2.86, 2.90 A)
&rst
ixpk= 331, nxpk= 20, iat= 372, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 ALA HA 26 ALA MB 3.50 (# 2513:20 Unique 2.41, 2.67 A)
&rst
ixpk= 2513, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 376, 377, 378,
&end
#
# 26 ALA HA 27 PRO HD+ 2.80 (# 383:20 Unique 2.36, 2.48 A)
&rst
ixpk= 383, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 383, 384,
&end
#
# 26 ALA HA 27 PRO HD- 3.50 (# 3115:20 Unique 2.36, 2.48 A)
&rst
ixpk= 3115, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 383, 384,
&end
#
# 26 ALA HA 56 ASP HA 5.50 (# 312:20 Unique 3.28, 3.59 A)
&rst
ixpk= 312, nxpk= 20, iat= 374, 850, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ALA HA 57 VAL HN 5.50 (# 1380:10 Unique 3.51, 3.89 A)
&rst
ixpk= 1380, nxpk= 10, iat= 374, 860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ALA MB 26 ALA HN 3.50 (# 769:10 Unique 2.93, 3.45 A)
&rst
ixpk= 769, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 376, 377, 378,
&end
#
# 28 TRP HD1 26 ALA HN 5.50 (# 789:10 Unique 5.17, 5.36 A)
&rst
ixpk= 789, nxpk= 10, iat= 404, 372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ALA HN 29 CYS HB+ 5.50 (# 1393:20 Unique 2.73, 3.28 A)
&rst
ixpk= 1393, nxpk= 20, iat= 372, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ALA HN 29 CYS HB- 5.50 (# 3070:20 Unique 2.82, 3.29 A)
&rst
ixpk= 3070, nxpk= 20, iat= 372, 425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 CYS HB+ 26 ALA HN 4.50 (# 765:10 Unique 3.13, 3.53 A)
&rst
ixpk= 765, nxpk= 10, iat= 456, 372, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 CYS HB- 26 ALA HN 3.50 (# 767:10 Unique 3.22, 3.48 A)
&rst
ixpk= 767, nxpk= 10, iat= 457, 372, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 VAL MGX 26 ALA HN 5.50 (# 1453:10 Unique 4.58, 6.11 A)
&rst
ixpk= 1453, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 72 ILE HB 26 ALA HN 5.50 (# 1433:10 Unique 3.25, 3.66 A)
&rst
ixpk= 1433, nxpk= 10, iat=1078, 372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ILE QD1 26 ALA HN 4.50 (# 770:10 Unique 2.52, 4.76 A)
&rst
ixpk= 770, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1087,1088,1089,
&end
#
# 72 ILE QG2 26 ALA HN 5.50 (# 1432:10 Unique 3.58, 4.89 A)
&rst
ixpk= 1432, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1080,1081,1082,
&end
#
# 27 PRO HD+ 26 ALA MB 3.50 (# 2512:20 Unique 2.19, 3.81 A)
&rst
ixpk= 2512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 383, 384,
igr2= 376, 377, 378,
&end
#
# 26 ALA MB 27 PRO HD- 3.50 (# 3120:20 Unique 2.19, 3.81 A)
&rst
ixpk= 3120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 376, 377, 378,
igr2= 383, 384,
&end
#
# 26 ALA MB 27 PRO HG+ 5.50 (# 1420:20 Unique 4.21, 5.60 A)
&rst
ixpk= 1420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 376, 377, 378,
igr2= 386, 387,
&end
#
# 26 ALA MB 27 PRO HG- 5.50 (# 1421:20 Unique 4.21, 5.60 A)
&rst
ixpk= 1421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 376, 377, 378,
igr2= 386, 387,
&end
#
# 28 TRP HD1 26 ALA MB 3.50 (# 2518:20 Unique 2.64, 3.47 A)
&rst
ixpk= 2518, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 376, 377, 378,
&end
#
# 26 ALA MB 28 TRP HN 3.50 (# 1158:10 Unique 2.97, 3.85 A)
&rst
ixpk= 1158, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 376, 377, 378,
&end
#
# 26 ALA MB 29 CYS HB- 4.50 (# 3064:20 Unique 3.28, 4.80 A)
&rst
ixpk= 3064, nxpk= 20, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 376, 377, 378,
&end
#
# 26 ALA MB 29 CYS HN 5.50 (# 345:10 Unique 3.16, 4.08 A)
&rst
ixpk= 345, nxpk= 10, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 376, 377, 378,
&end
#
# 57 VAL HB 26 ALA MB 5.50 (# 2516:20 Unique 5.07, 6.34 A)
&rst
ixpk= 2516, nxpk= 20, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 376, 377, 378,
&end
#
# 57 VAL HN 26 ALA MB 4.50 (# 2520:20 Unique 3.34, 4.52 A)
&rst
ixpk= 2520, nxpk= 20, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 376, 377, 378,
&end
#
# 26 ALA MB 57 VAL MGX 3.50 (# 1175:20 Unique 2.24, 5.18 A)
&rst
ixpk= 1175, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 376, 377, 378,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 26 ALA MB 58 ASP HB- 5.50 (# 681:20 Unique 4.22, 5.46 A)
&rst
ixpk= 681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 376, 377, 378,
igr2= 880, 881,
&end
#
# 26 ALA MB 58 ASP HN 4.50 (# 355:10 Unique 3.87, 5.02 A)
&rst
ixpk= 355, nxpk= 10, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 376, 377, 378,
&end
#
# 27 PRO HA 27 PRO HB+ 3.50 (# 3129:20 Unique 2.30, 2.53 A)
&rst
ixpk= 3129, nxpk= 20, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 389, 390,
&end
#
# 27 PRO HA 27 PRO HB- 3.50 (# 3128:20 Unique 2.30, 2.53 A)
&rst
ixpk= 3128, nxpk= 20, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 389, 390,
&end
#
# 27 PRO HD+ 27 PRO HA 5.50 (# 2204:20 Unique 3.45, 3.79 A)
&rst
ixpk= 2204, nxpk= 20, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 383, 384,
&end
#
# 27 PRO HA 27 PRO HD- 5.50 (# 3114:20 Unique 3.45, 3.79 A)
&rst
ixpk= 3114, nxpk= 20, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 383, 384,
&end
#
# 27 PRO HA 27 PRO HG+ 4.50 (# 1428:20 Unique 3.85, 3.97 A)
&rst
ixpk= 1428, nxpk= 20, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 386, 387,
&end
#
# 27 PRO HA 27 PRO HG- 4.50 (# 1429:20 Unique 3.85, 3.97 A)
&rst
ixpk= 1429, nxpk= 20, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 386, 387,
&end
#
# 27 PRO HA 28 TRP HN 4.50 (# 1153:10 Unique 3.52, 3.54 A)
&rst
ixpk= 1153, nxpk= 10, iat= 392, 396, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 CYS HN 27 PRO HA 5.50 (# 2200:20 Unique 3.55, 3.69 A)
&rst
ixpk= 2200, nxpk= 20, iat= 420, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 PRO HD+ 27 PRO HB+ 4.50 (# 3127:20 Unique 2.82, 3.68 A)
&rst
ixpk= 3127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 383, 384,
igr2= 389, 390,
&end
#
# 28 TRP HN 27 PRO HB+ 5.50 (# 3130:20 Unique 3.57, 4.04 A)
&rst
ixpk= 3130, nxpk= 20, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 389, 390,
&end
#
# 27 PRO HD+ 27 PRO HB- 4.50 (# 3126:20 Unique 2.82, 3.68 A)
&rst
ixpk= 3126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 383, 384,
igr2= 389, 390,
&end
#
# 27 PRO HB- 27 PRO HD- 4.50 (# 3117:20 Unique 2.82, 3.68 A)
&rst
ixpk= 3117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 389, 390,
igr2= 383, 384,
&end
#
# 27 PRO HB- 27 PRO HG+ 3.50 (# 1422:20 Unique 2.38, 2.63 A)
&rst
ixpk= 1422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 389, 390,
igr2= 386, 387,
&end
#
# 27 PRO HB- 27 PRO HG- 3.50 (# 1423:20 Unique 2.38, 2.63 A)
&rst
ixpk= 1423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 389, 390,
igr2= 386, 387,
&end
#
# 27 PRO HD+ 27 PRO HG+ 3.50 (# 1424:20 Unique 2.34, 2.61 A)
&rst
ixpk= 1424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 383, 384,
igr2= 386, 387,
&end
#
# 27 PRO HD+ 27 PRO HG- 3.50 (# 1425:20 Unique 2.34, 2.61 A)
&rst
ixpk= 1425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 383, 384,
igr2= 386, 387,
&end
#
# 28 TRP HD1 27 PRO HD+ 4.50 (# 387:20 Unique 4.64, 5.38 A)
&rst
ixpk= 387, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 383, 384,
&end
#
# 28 TRP HE1 27 PRO HD+ 5.50 (# 381:20 Unique 4.14, 5.24 A)
&rst
ixpk= 381, nxpk= 20, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 383, 384,
&end
#
# 28 TRP HN 27 PRO HD+ 4.50 (# 385:20 Unique 2.75, 3.42 A)
&rst
ixpk= 385, nxpk= 20, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 383, 384,
&end
#
# 58 ASP HB- 27 PRO HD+ 5.50 (# 382:20 Unique 4.52, 6.02 A)
&rst
ixpk= 382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 880, 881,
igr2= 383, 384,
&end
#
# 27 PRO HG+ 27 PRO HD- 3.50 (# 3118:20 Unique 2.34, 2.61 A)
&rst
ixpk= 3118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 386, 387,
igr2= 383, 384,
&end
#
# 27 PRO HG- 27 PRO HD- 3.50 (# 3119:20 Unique 2.34, 2.61 A)
&rst
ixpk= 3119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 386, 387,
igr2= 383, 384,
&end
#
# 27 PRO HD- 28 TRP HN 5.50 (# 1512:10 Unique 2.75, 3.42 A)
&rst
ixpk= 1512, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 383, 384,
&end
#
# 28 TRP HD1 27 PRO HG+ 5.50 (# 1436:20 Unique 5.14, 6.05 A)
&rst
ixpk= 1436, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 386, 387,
&end
#
# 27 PRO HG+ 28 TRP HN 3.50 (# 1157:10 Unique 2.58, 3.45 A)
&rst
ixpk= 1157, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 386, 387,
&end
#
# 28 TRP HD1 27 PRO HG- 5.50 (# 1437:20 Unique 5.14, 6.05 A)
&rst
ixpk= 1437, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 386, 387,
&end
#
# 28 TRP HN 27 PRO HG- 5.50 (# 1431:20 Unique 2.58, 3.45 A)
&rst
ixpk= 1431, nxpk= 20, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 386, 387,
&end
#
# 28 TRP HB+ 28 TRP HA 3.50 (# 2299:20 Unique 2.29, 2.43 A)
&rst
ixpk= 2299, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 400, 401,
&end
#
# 28 TRP HB- 28 TRP HA 3.50 (# 2298:20 Unique 2.29, 2.43 A)
&rst
ixpk= 2298, nxpk= 20, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 400, 401,
&end
#
# 28 TRP HD1 28 TRP HA 4.50 (# 2297:20 Unique 4.11, 4.17 A)
&rst
ixpk= 2297, nxpk= 20, iat= 404, 398, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 TRP HA 28 TRP HN 3.50 (# 1152:10 Unique 2.92, 2.93 A)
&rst
ixpk= 1152, nxpk= 10, iat= 398, 396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 TRP HA 29 CYS HN 4.50 (# 339:10 Unique 3.32, 3.37 A)
&rst
ixpk= 339, nxpk= 10, iat= 398, 420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 TRP HA 33 LYS HE+ 4.50 (# 1936:20 Unique 3.30, 4.52 A)
&rst
ixpk= 1936, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 476, 477,
&end
#
# 28 TRP HD1 28 TRP HB+ 3.50 (# 763:20 Unique 3.05, 3.51 A)
&rst
ixpk= 763, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 400, 401,
&end
#
# 28 TRP HB+ 28 TRP HN 3.50 (# 1156:10 Unique 2.90, 3.25 A)
&rst
ixpk= 1156, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 400, 401,
&end
#
# 28 TRP HD1 28 TRP HB- 3.50 (# 762:20 Unique 3.05, 3.51 A)
&rst
ixpk= 762, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 400, 401,
&end
#
# 28 TRP HN 28 TRP HB- 4.50 (# 760:20 Unique 2.90, 3.25 A)
&rst
ixpk= 760, nxpk= 20, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 400, 401,
&end
#
# 28 TRP HD1 28 TRP HN 2.80 (# 1150:10 Unique 2.85, 2.87 A)
&rst
ixpk= 1150, nxpk= 10, iat= 404, 396, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 28 TRP HD1 29 CYS HA 3.50 (# 2152:20 Unique 3.46, 3.51 A)
&rst
ixpk= 2152, nxpk= 20, iat= 404, 422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 TRP HD1 29 CYS HB+ 5.50 (# 1395:20 Unique 3.05, 3.42 A)
&rst
ixpk= 1395, nxpk= 20, iat= 404, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 TRP HD1 29 CYS HB- 5.50 (# 3071:20 Unique 4.22, 4.54 A)
&rst
ixpk= 3071, nxpk= 20, iat= 404, 425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 TRP HD1 29 CYS HN 5.50 (# 340:10 Unique 2.81, 2.90 A)
&rst
ixpk= 340, nxpk= 10, iat= 404, 420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 TRP HD1 57 VAL MGX 5.50 (# 1167:20 Unique 5.92, 7.90 A)
&rst
ixpk= 1167, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 28 TRP HD1 72 ILE QD1 4.50 (# 949:20 Unique 3.10, 4.75 A)
&rst
ixpk= 949, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1087,1088,1089,
&end
#
# 29 CYS HN 28 TRP HN 2.80 (# 1151:10 Unique 2.49, 2.53 A)
&rst
ixpk= 1151, nxpk= 10, iat= 420, 396, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 29 CYS HB+ 29 CYS HA 4.50 (# 2149:20 Unique 2.43, 2.58 A)
&rst
ixpk= 2149, nxpk= 20, iat= 424, 422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 CYS HA 29 CYS HB- 4.50 (# 3067:20 Unique 2.51, 2.92 A)
&rst
ixpk= 3067, nxpk= 20, iat= 422, 425, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 CYS HA 29 CYS HN 3.50 (# 342:10 Unique 2.90, 2.92 A)
&rst
ixpk= 342, nxpk= 10, iat= 422, 420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 CYS HB+ 29 CYS HN 2.80 (# 344:10 Unique 2.36, 2.58 A)
&rst
ixpk= 344, nxpk= 10, iat= 424, 420, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 29 CYS HB+ 72 ILE HN 5.50 (# 868:10 Unique 5.20, 5.56 A)
&rst
ixpk= 868, nxpk= 10, iat= 424,1074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ILE QD1 29 CYS HB+ 4.50 (# 1390:20 Unique 2.19, 3.73 A)
&rst
ixpk= 1390, nxpk= 20, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1087,1088,1089,
&end
#
# 29 CYS HB- 29 CYS HN 2.80 (# 343:10 Unique 2.43, 2.71 A)
&rst
ixpk= 343, nxpk= 10, iat= 425, 420, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 CYS HB+ 29 CYS HB- 4.50 (# 3066:20 Unique 2.15, 2.96 A)
&rst
ixpk= 3066, nxpk= 20, iat= 456, 425, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 CYS HB- 32 CYS HB- 5.50 (# 754:20 Unique 2.35, 3.90 A)
&rst
ixpk= 754, nxpk= 20, iat= 425, 457, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 CYS HN 29 CYS HB- 5.50 (# 3072:20 Unique 2.88, 3.22 A)
&rst
ixpk= 3072, nxpk= 20, iat= 452, 425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ILE QD1 29 CYS HB- 4.50 (# 3063:20 Unique 2.89, 4.98 A)
&rst
ixpk= 3063, nxpk= 20, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1087,1088,1089,
&end
#
# 32 CYS HB+ 29 CYS HN 5.50 (# 1388:10 Unique 3.55, 4.14 A)
&rst
ixpk= 1388, nxpk= 10, iat= 456, 420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ILE QD1 29 CYS HN 5.50 (# 1454:10 Unique 4.11, 5.71 A)
&rst
ixpk= 1454, nxpk= 10, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1087,1088,1089,
&end
#
# 3 ILE HB 3 ILE HA 3.50 (# 2263:20 Unique 3.02, 3.05 A)
&rst
ixpk= 2263, nxpk= 20, iat= 35, 33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 ILE HG1+ 3 ILE HA 3.50 (# 2265:20 Unique 2.34, 2.68 A)
&rst
ixpk= 2265, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 41, 42,
&end
#
# 3 ILE HG1- 3 ILE HA 3.50 (# 2262:20 Unique 2.34, 2.68 A)
&rst
ixpk= 2262, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 41, 42,
&end
#
# 3 ILE HA 3 ILE HN 3.50 (# 320:10 Unique 2.84, 2.92 A)
&rst
ixpk= 320, nxpk= 10, iat= 33, 31, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 ILE HA 3 ILE QD1 4.50 (# 1107:20 Unique 4.36, 4.64 A)
&rst
ixpk= 1107, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 44, 45, 46,
&end
#
# 3 ILE QG2 3 ILE HA 3.50 (# 2264:20 Unique 2.66, 3.34 A)
&rst
ixpk= 2264, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 37, 38, 39,
&end
#
# 3 ILE HA 4 VAL HB 4.50 (# 1667:20 Unique 4.34, 4.45 A)
&rst
ixpk= 1667, nxpk= 20, iat= 33, 54, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 ILE HA 4 VAL HN 2.80 (# 98:10 Unique 2.23, 2.35 A)
&rst
ixpk= 98, nxpk= 10, iat= 33, 50, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 47 GLY HA- 3 ILE HA 5.50 (# 2179:20 Unique 5.84, 6.28 A)
&rst
ixpk= 2179, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 692, 693,
&end
#
# 52 ILE HB 3 ILE HA 3.50 (# 2261:20 Unique 2.52, 2.90 A)
&rst
ixpk= 2261, nxpk= 20, iat= 776, 33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 ILE HA 52 ILE HN 3.50 (# 1265:10 Unique 2.85, 3.09 A)
&rst
ixpk= 1265, nxpk= 10, iat= 33, 772, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 ILE HA 52 ILE QD1 5.50 (# 1125:20 Unique 4.72, 5.72 A)
&rst
ixpk= 1125, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 785, 786, 787,
&end
#
# 3 ILE HA 52 ILE QG2 4.50 (# 1147:20 Unique 3.96, 5.06 A)
&rst
ixpk= 1147, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 778, 779, 780,
&end
#
# 3 ILE HB 3 ILE HN 2.80 (# 322:10 Unique 2.10, 2.16 A)
&rst
ixpk= 322, nxpk= 10, iat= 35, 31, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 3 ILE QD1 3 ILE HB 3.50 (# 1797:20 Unique 2.47, 3.10 A)
&rst
ixpk= 1797, nxpk= 20, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 44, 45, 46,
&end
#
# 3 ILE QG2 3 ILE HB 3.50 (# 1796:20 Unique 2.40, 2.65 A)
&rst
ixpk= 1796, nxpk= 20, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 37, 38, 39,
&end
#
# 3 ILE HN 3 ILE HG1- 3.50 (# 1451:20 Unique 2.11, 3.20 A)
&rst
ixpk= 1451, nxpk= 20, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 41, 42,
&end
#
# 3 ILE HG1- 3 ILE QD1 2.80 (# 1118:20 Unique 2.35, 2.64 A)
&rst
ixpk= 1118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 41, 42,
igr2= 44, 45, 46,
&end
#
# 3 ILE HG1- 43 ASP HB+ 4.50 (# 1960:20 Unique 2.40, 3.39 A)
&rst
ixpk= 1960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 41, 42,
igr2= 633, 634,
&end
#
# 3 ILE HG1- 43 ASP HB- 4.50 (# 1959:20 Unique 2.40, 3.39 A)
&rst
ixpk= 1959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 41, 42,
igr2= 633, 634,
&end
#
# 3 ILE QD1 3 ILE HN 3.50 (# 324:10 Unique 3.21, 4.31 A)
&rst
ixpk= 324, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 44, 45, 46,
&end
#
# 3 ILE QG2 3 ILE HN 4.50 (# 1232:10 Unique 3.94, 4.37 A)
&rst
ixpk= 1232, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 37, 38, 39,
&end
#
# 37 PRO HA 3 ILE QD1 5.50 (# 1109:20 Unique 5.72, 6.49 A)
&rst
ixpk= 1109, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 44, 45, 46,
&end
#
# 39 LEU HB- 3 ILE QD1 4.50 (# 1116:20 Unique 2.80, 4.05 A)
&rst
ixpk= 1116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 565, 566,
igr2= 44, 45, 46,
&end
#
# 40 GLU HA 3 ILE QD1 3.50 (# 1110:20 Unique 2.24, 3.31 A)
&rst
ixpk= 1110, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 44, 45, 46,
&end
#
# 3 ILE QD1 40 GLU HG+ 3.50 (# 1690:20 Unique 2.52, 3.46 A)
&rst
ixpk= 1690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 44, 45, 46,
igr2= 587, 588,
&end
#
# 3 ILE QD1 40 GLU HG- 3.50 (# 1691:20 Unique 2.52, 3.46 A)
&rst
ixpk= 1691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 44, 45, 46,
igr2= 587, 588,
&end
#
# 40 GLU HN 3 ILE QD1 4.50 (# 1106:20 Unique 3.56, 4.47 A)
&rst
ixpk= 1106, nxpk= 20, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 44, 45, 46,
&end
#
# 3 ILE QD1 43 ASP HB+ 3.50 (# 1962:20 Unique 2.32, 3.80 A)
&rst
ixpk= 1962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 44, 45, 46,
igr2= 633, 634,
&end
#
# 3 ILE QD1 43 ASP HB- 3.50 (# 1961:20 Unique 2.32, 3.80 A)
&rst
ixpk= 1961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 44, 45, 46,
igr2= 633, 634,
&end
#
# 43 ASP HN 3 ILE QD1 4.50 (# 1104:20 Unique 3.72, 5.01 A)
&rst
ixpk= 1104, nxpk= 20, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 44, 45, 46,
&end
#
# 52 ILE HB 3 ILE QD1 3.50 (# 1117:20 Unique 3.59, 4.38 A)
&rst
ixpk= 1117, nxpk= 20, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 44, 45, 46,
&end
#
# 4 VAL HA 3 ILE QG2 4.50 (# 1138:20 Unique 3.85, 5.03 A)
&rst
ixpk= 1138, nxpk= 20, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 37, 38, 39,
&end
#
# 3 ILE QG2 4 VAL HN 2.80 (# 96:10 Unique 2.36, 3.17 A)
&rst
ixpk= 96, nxpk= 10, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 37, 38, 39,
&end
#
# 3 ILE QG2 5 LYS HN 5.50 (# 1436:10 Unique 5.05, 6.29 A)
&rst
ixpk= 1436, nxpk= 10, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 37, 38, 39,
&end
#
# 53 VAL HA 3 ILE QG2 4.50 (# 1135:20 Unique 3.85, 4.67 A)
&rst
ixpk= 1135, nxpk= 20, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 37, 38, 39,
&end
#
# 3 ILE QG2 54 LYS HB+ 4.50 (# 1729:20 Unique 3.01, 4.60 A)
&rst
ixpk= 1729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 37, 38, 39,
igr2= 811, 812,
&end
#
# 54 LYS HD+ 3 ILE QG2 3.50 (# 1143:20 Unique 2.24, 4.49 A)
&rst
ixpk= 1143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 817, 818,
igr2= 37, 38, 39,
&end
#
# 54 LYS HD- 3 ILE QG2 3.50 (# 1144:20 Unique 2.24, 4.49 A)
&rst
ixpk= 1144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 817, 818,
igr2= 37, 38, 39,
&end
#
# 54 LYS HE+ 3 ILE QG2 3.50 (# 1139:20 Unique 2.67, 4.07 A)
&rst
ixpk= 1139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 820, 821,
igr2= 37, 38, 39,
&end
#
# 3 ILE QG2 54 LYS HG- 3.50 (# 1584:20 Unique 2.30, 3.52 A)
&rst
ixpk= 1584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 37, 38, 39,
igr2= 814, 815,
&end
#
# 3 ILE QG2 54 LYS HN 3.50 (# 247:10 Unique 3.27, 4.30 A)
&rst
ixpk= 247, nxpk= 10, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 37, 38, 39,
&end
#
# 31 PRO HD+ 30 GLY HA+ 3.50 (# 2038:20 Unique 2.10, 3.39 A)
&rst
ixpk= 2038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 439, 440,
igr2= 433, 434,
&end
#
# 33 LYS HD+ 30 GLY HA+ 5.50 (# 2034:20 Unique 3.37, 5.24 A)
&rst
ixpk= 2034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 473, 474,
igr2= 433, 434,
&end
#
# 33 LYS HE+ 30 GLY HA+ 5.50 (# 2036:20 Unique 2.25, 4.87 A)
&rst
ixpk= 2036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 476, 477,
igr2= 433, 434,
&end
#
# 33 LYS HN 30 GLY HA+ 5.50 (# 2047:20 Unique 3.34, 4.39 A)
&rst
ixpk= 2047, nxpk= 20, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 433, 434,
&end
#
# 31 PRO HD+ 30 GLY HA- 3.50 (# 2039:20 Unique 2.10, 3.39 A)
&rst
ixpk= 2039, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 439, 440,
igr2= 433, 434,
&end
#
# 33 LYS HB+ 30 GLY HA- 4.50 (# 2031:20 Unique 3.04, 5.28 A)
&rst
ixpk= 2031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 467, 468,
igr2= 433, 434,
&end
#
# 33 LYS HD+ 30 GLY HA- 4.50 (# 2030:20 Unique 3.37, 5.24 A)
&rst
ixpk= 2030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 473, 474,
igr2= 433, 434,
&end
#
# 33 LYS HE+ 30 GLY HA- 4.50 (# 2037:20 Unique 2.25, 4.87 A)
&rst
ixpk= 2037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 476, 477,
igr2= 433, 434,
&end
#
# 30 GLY HA- 33 LYS HN 4.50 (# 428:10 Unique 3.34, 4.39 A)
&rst
ixpk= 428, nxpk= 10, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 433, 434,
&end
#
# 31 PRO HA 31 PRO HB+ 3.50 (# 2890:20 Unique 2.26, 2.66 A)
&rst
ixpk= 2890, nxpk= 20, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 445, 446,
&end
#
# 31 PRO HB- 31 PRO HA 3.50 (# 2226:20 Unique 2.26, 2.66 A)
&rst
ixpk= 2226, nxpk= 20, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 445, 446,
&end
#
# 31 PRO HA 31 PRO HD+ 3.50 (# 393:20 Unique 3.28, 3.69 A)
&rst
ixpk= 393, nxpk= 20, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 439, 440,
&end
#
# 31 PRO HA 31 PRO HG+ 4.50 (# 3169:20 Unique 2.77, 3.44 A)
&rst
ixpk= 3169, nxpk= 20, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 442, 443,
&end
#
# 31 PRO HA 33 LYS HN 5.50 (# 1397:10 Unique 3.55, 3.93 A)
&rst
ixpk= 1397, nxpk= 10, iat= 448, 463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 PRO HA 34 MET HB- 3.50 (# 2889:20 Unique 2.98, 4.14 A)
&rst
ixpk= 2889, nxpk= 20, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 489, 490,
&end
#
# 34 MET HN 31 PRO HA 3.50 (# 2223:20 Unique 2.92, 3.31 A)
&rst
ixpk= 2223, nxpk= 20, iat= 485, 448, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 ILE HN 31 PRO HA 5.50 (# 2222:20 Unique 4.12, 4.27 A)
&rst
ixpk= 2222, nxpk= 20, iat= 502, 448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 PRO HA 90 PHE HB+ 5.50 (# 706:20 Unique 3.62, 4.91 A)
&rst
ixpk= 706, nxpk= 20, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1349,1350,
&end
#
# 90 PHE HB- 31 PRO HA 5.50 (# 2225:20 Unique 3.62, 4.91 A)
&rst
ixpk= 2225, nxpk= 20, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1349,1350,
&end
#
# 31 PRO HB+ 31 PRO HG+ 3.50 (# 3171:20 Unique 2.37, 2.63 A)
&rst
ixpk= 3171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 445, 446,
igr2= 442, 443,
&end
#
# 31 PRO HB+ 73 PRO HD+ 3.50 (# 396:20 Unique 2.17, 3.58 A)
&rst
ixpk= 396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 445, 446,
igr2=1094,1095,
&end
#
# 31 PRO HB+ 73 PRO HD- 3.50 (# 398:20 Unique 2.17, 3.58 A)
&rst
ixpk= 398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 445, 446,
igr2=1094,1095,
&end
#
# 31 PRO HB+ 90 PHE HB+ 5.50 (# 712:20 Unique 2.23, 3.54 A)
&rst
ixpk= 712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 445, 446,
igr2=1349,1350,
&end
#
# 90 PHE HB- 31 PRO HB+ 4.50 (# 2896:20 Unique 2.23, 3.54 A)
&rst
ixpk= 2896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1349,1350,
igr2= 445, 446,
&end
#
# 31 PRO HB- 31 PRO HD+ 4.50 (# 390:20 Unique 2.85, 3.69 A)
&rst
ixpk= 390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 445, 446,
igr2= 439, 440,
&end
#
# 73 PRO HD+ 31 PRO HB- 4.50 (# 1976:20 Unique 2.17, 3.58 A)
&rst
ixpk= 1976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1094,1095,
igr2= 445, 446,
&end
#
# 73 PRO HD- 31 PRO HB- 4.50 (# 1978:20 Unique 2.17, 3.58 A)
&rst
ixpk= 1978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1094,1095,
igr2= 445, 446,
&end
#
# 31 PRO HB- 73 PRO HG+ 5.50 (# 1545:20 Unique 2.33, 3.43 A)
&rst
ixpk= 1545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 445, 446,
igr2=1097,1098,
&end
#
# 90 PHE HB+ 31 PRO HB- 4.50 (# 1980:20 Unique 2.23, 3.54 A)
&rst
ixpk= 1980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1349,1350,
igr2= 445, 446,
&end
#
# 90 PHE HB- 31 PRO HB- 4.50 (# 1979:20 Unique 2.23, 3.54 A)
&rst
ixpk= 1979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1349,1350,
igr2= 445, 446,
&end
#
# 31 PRO HB- 90 PHE HN 5.50 (# 714:10 Unique 3.45, 4.27 A)
&rst
ixpk= 714, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 445, 446,
&end
#
# 31 PRO HD+ 31 PRO HG+ 3.50 (# 3170:20 Unique 2.33, 2.61 A)
&rst
ixpk= 3170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 439, 440,
igr2= 442, 443,
&end
#
# 31 PRO HG- 31 PRO HD+ 3.50 (# 389:20 Unique 2.33, 2.61 A)
&rst
ixpk= 389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 442, 443,
igr2= 439, 440,
&end
#
# 32 CYS HB+ 32 CYS HA 3.50 (# 2241:20 Unique 2.41, 2.96 A)
&rst
ixpk= 2241, nxpk= 20, iat= 456, 454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 CYS HB- 32 CYS HA 3.50 (# 2244:20 Unique 2.45, 2.49 A)
&rst
ixpk= 2244, nxpk= 20, iat= 457, 454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 CYS HA 32 CYS HN 4.50 (# 998:10 Unique 2.80, 2.84 A)
&rst
ixpk= 998, nxpk= 10, iat= 454, 452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 CYS HA 33 LYS HN 4.50 (# 1399:10 Unique 3.52, 3.56 A)
&rst
ixpk= 1399, nxpk= 10, iat= 454, 463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 ILE HB 32 CYS HA 4.50 (# 2248:20 Unique 2.66, 2.87 A)
&rst
ixpk= 2248, nxpk= 20, iat= 506, 454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 ILE HN 32 CYS HA 4.50 (# 2237:20 Unique 2.75, 2.99 A)
&rst
ixpk= 2237, nxpk= 20, iat= 502, 454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 CYS HA 35 ILE QG2 3.50 (# 2355:20 Unique 2.13, 2.82 A)
&rst
ixpk= 2355, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 508, 509, 510,
&end
#
# 36 ALA HN 32 CYS HA 5.50 (# 2239:20 Unique 3.78, 3.89 A)
&rst
ixpk= 2239, nxpk= 20, iat= 521, 454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 PRO HB+ 32 CYS HA 4.50 (# 2247:20 Unique 2.63, 3.74 A)
&rst
ixpk= 2247, nxpk= 20, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1100,1101,
&end
#
# 73 PRO HB- 32 CYS HA 4.50 (# 2246:20 Unique 2.63, 3.74 A)
&rst
ixpk= 2246, nxpk= 20, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1100,1101,
&end
#
# 73 PRO HD+ 32 CYS HA 5.50 (# 2243:20 Unique 3.78, 4.95 A)
&rst
ixpk= 2243, nxpk= 20, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1094,1095,
&end
#
# 73 PRO HD- 32 CYS HA 5.50 (# 2242:20 Unique 3.78, 4.95 A)
&rst
ixpk= 2242, nxpk= 20, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1094,1095,
&end
#
# 73 PRO HG+ 32 CYS HA 4.50 (# 2249:20 Unique 2.84, 3.81 A)
&rst
ixpk= 2249, nxpk= 20, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1097,1098,
&end
#
# 32 CYS HB+ 32 CYS HN 3.50 (# 999:10 Unique 2.45, 2.69 A)
&rst
ixpk= 999, nxpk= 10, iat= 456, 452, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 CYS HB+ 33 LYS HN 3.50 (# 429:10 Unique 2.82, 3.13 A)
&rst
ixpk= 429, nxpk= 10, iat= 456, 463, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 CYS HB- 32 CYS HN 4.50 (# 1498:10 Unique 2.50, 3.47 A)
&rst
ixpk= 1498, nxpk= 10, iat= 457, 452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 CYS HB- 33 LYS HN 4.50 (# 430:10 Unique 3.68, 3.91 A)
&rst
ixpk= 430, nxpk= 10, iat= 457, 463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 ILE QG2 32 CYS HB- 5.50 (# 755:20 Unique 3.05, 4.13 A)
&rst
ixpk= 755, nxpk= 20, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 508, 509, 510,
&end
#
# 33 LYS HA 33 LYS HB+ 3.50 (# 2830:20 Unique 2.40, 2.73 A)
&rst
ixpk= 2830, nxpk= 20, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 467, 468,
&end
#
# 33 LYS HA 33 LYS HB- 3.50 (# 2831:20 Unique 2.40, 2.73 A)
&rst
ixpk= 2831, nxpk= 20, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 467, 468,
&end
#
# 33 LYS HD+ 33 LYS HA 4.50 (# 278:20 Unique 3.50, 4.17 A)
&rst
ixpk= 278, nxpk= 20, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 473, 474,
&end
#
# 33 LYS HA 33 LYS HG+ 3.50 (# 1560:20 Unique 2.16, 2.75 A)
&rst
ixpk= 1560, nxpk= 20, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 470, 471,
&end
#
# 33 LYS HG- 33 LYS HA 3.50 (# 277:20 Unique 2.16, 2.75 A)
&rst
ixpk= 277, nxpk= 20, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 470, 471,
&end
#
# 33 LYS HA 33 LYS HN 3.50 (# 427:10 Unique 2.82, 2.86 A)
&rst
ixpk= 427, nxpk= 10, iat= 465, 463, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 LYS HA 34 MET HN 4.50 (# 893:10 Unique 3.47, 3.52 A)
&rst
ixpk= 893, nxpk= 10, iat= 465, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 ILE HN 33 LYS HA 5.50 (# 272:20 Unique 4.67, 4.73 A)
&rst
ixpk= 272, nxpk= 20, iat= 502, 465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 LYS HA 36 ALA HN 4.50 (# 237:10 Unique 3.62, 3.83 A)
&rst
ixpk= 237, nxpk= 10, iat= 465, 521, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 LYS HA 36 ALA MB 3.50 (# 2330:20 Unique 2.84, 3.92 A)
&rst
ixpk= 2330, nxpk= 20, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 525, 526, 527,
&end
#
# 37 PRO HD- 33 LYS HA 5.50 (# 275:20 Unique 3.90, 4.43 A)
&rst
ixpk= 275, nxpk= 20, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 532, 533,
&end
#
# 33 LYS HE+ 33 LYS HB+ 5.50 (# 2834:20 Unique 2.29, 4.41 A)
&rst
ixpk= 2834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 476, 477,
igr2= 467, 468,
&end
#
# 33 LYS HG+ 33 LYS HB+ 3.50 (# 2836:20 Unique 2.25, 2.77 A)
&rst
ixpk= 2836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 470, 471,
igr2= 467, 468,
&end
#
# 33 LYS HB+ 33 LYS HN 2.80 (# 432:10 Unique 2.18, 3.02 A)
&rst
ixpk= 432, nxpk= 10, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 467, 468,
&end
#
# 34 MET HN 33 LYS HB+ 4.50 (# 2829:20 Unique 2.95, 3.45 A)
&rst
ixpk= 2829, nxpk= 20, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 467, 468,
&end
#
# 33 LYS HE+ 33 LYS HB- 5.50 (# 2833:20 Unique 2.29, 4.41 A)
&rst
ixpk= 2833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 476, 477,
igr2= 467, 468,
&end
#
# 33 LYS HG+ 33 LYS HB- 3.50 (# 2835:20 Unique 2.25, 2.77 A)
&rst
ixpk= 2835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 470, 471,
igr2= 467, 468,
&end
#
# 33 LYS HB- 33 LYS HG- 3.50 (# 2712:20 Unique 2.25, 2.77 A)
&rst
ixpk= 2712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 467, 468,
igr2= 470, 471,
&end
#
# 33 LYS HB- 33 LYS HN 2.80 (# 431:10 Unique 2.18, 3.02 A)
&rst
ixpk= 431, nxpk= 10, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 467, 468,
&end
#
# 33 LYS HB- 34 MET HN 3.50 (# 896:10 Unique 2.95, 3.45 A)
&rst
ixpk= 896, nxpk= 10, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 467, 468,
&end
#
# 33 LYS HD+ 33 LYS HN 5.50 (# 1403:10 Unique 1.81, 4.39 A)
&rst
ixpk= 1403, nxpk= 10, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 473, 474,
&end
#
# 33 LYS HN 33 LYS HD- 5.50 (# 3045:20 Unique 1.81, 4.39 A)
&rst
ixpk= 3045, nxpk= 20, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 473, 474,
&end
#
# 33 LYS HG+ 33 LYS HN 2.80 (# 433:10 Unique 2.16, 2.78 A)
&rst
ixpk= 433, nxpk= 10, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 470, 471,
&end
#
# 33 LYS HG+ 34 MET HN 5.50 (# 1459:10 Unique 4.40, 4.76 A)
&rst
ixpk= 1459, nxpk= 10, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 470, 471,
&end
#
# 33 LYS HG- 36 ALA HN 5.50 (# 1370:10 Unique 5.75, 6.27 A)
&rst
ixpk= 1370, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 470, 471,
&end
#
# 34 MET HG+ 33 LYS HN 5.50 (# 1401:10 Unique 4.27, 5.20 A)
&rst
ixpk= 1401, nxpk= 10, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 492, 493,
&end
#
# 33 LYS HN 34 MET HN 2.80 (# 889:10 Unique 2.61, 2.68 A)
&rst
ixpk= 889, nxpk= 10, iat= 463, 485, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 ILE HN 33 LYS HN 4.50 (# 426:10 Unique 4.06, 4.14 A)
&rst
ixpk= 426, nxpk= 10, iat= 502, 463, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 MET HA 34 MET HB+ 3.50 (# 2888:20 Unique 2.43, 2.75 A)
&rst
ixpk= 2888, nxpk= 20, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 489, 490,
&end
#
# 34 MET HA 34 MET HB- 3.50 (# 2887:20 Unique 2.43, 2.75 A)
&rst
ixpk= 2887, nxpk= 20, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 489, 490,
&end
#
# 34 MET HA 34 MET HG+ 3.50 (# 2862:20 Unique 2.45, 2.98 A)
&rst
ixpk= 2862, nxpk= 20, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 492, 493,
&end
#
# 34 MET HA 34 MET HG- 3.50 (# 2863:20 Unique 2.45, 2.98 A)
&rst
ixpk= 2863, nxpk= 20, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 492, 493,
&end
#
# 34 MET HN 34 MET HA 3.50 (# 2123:20 Unique 2.94, 2.94 A)
&rst
ixpk= 2123, nxpk= 20, iat= 485, 487, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 ILE HN 34 MET HA 4.50 (# 2122:20 Unique 3.63, 3.64 A)
&rst
ixpk= 2122, nxpk= 20, iat= 502, 487, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 MET HA 37 PRO HD+ 4.50 (# 338:20 Unique 2.60, 3.46 A)
&rst
ixpk= 338, nxpk= 20, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 532, 533,
&end
#
# 37 PRO HD- 34 MET HA 4.50 (# 2112:20 Unique 2.60, 3.46 A)
&rst
ixpk= 2112, nxpk= 20, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 532, 533,
&end
#
# 34 MET HB+ 34 MET HN 2.80 (# 888:10 Unique 2.45, 3.08 A)
&rst
ixpk= 888, nxpk= 10, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 489, 490,
&end
#
# 34 MET HB+ 35 ILE HN 4.50 (# 857:10 Unique 2.55, 3.22 A)
&rst
ixpk= 857, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 489, 490,
&end
#
# 90 PHE HD 34 MET HB+ 5.50 (# 2892:20 Unique 2.78, 4.83 A)
&rst
ixpk= 2892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1353,1361,
igr2= 489, 490,
&end
#
# 34 MET HN 34 MET HB- 3.50 (# 2894:20 Unique 2.45, 3.08 A)
&rst
ixpk= 2894, nxpk= 20, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 489, 490,
&end
#
# 90 PHE HD 34 MET HB- 5.50 (# 2891:20 Unique 2.78, 4.83 A)
&rst
ixpk= 2891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1353,1361,
igr2= 489, 490,
&end
#
# 34 MET HG+ 34 MET HN 3.50 (# 894:10 Unique 2.31, 3.09 A)
&rst
ixpk= 894, nxpk= 10, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 492, 493,
&end
#
# 34 MET HG- 34 MET HN 3.50 (# 895:10 Unique 2.31, 3.09 A)
&rst
ixpk= 895, nxpk= 10, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 492, 493,
&end
#
# 34 MET HG- 36 ALA HN 5.50 (# 250:10 Unique 5.81, 6.17 A)
&rst
ixpk= 250, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 492, 493,
&end
#
# 35 ILE HN 34 MET HN 2.80 (# 890:10 Unique 2.34, 2.40 A)
&rst
ixpk= 890, nxpk= 10, iat= 502, 485, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 ILE QG2 34 MET HN 5.50 (# 1461:10 Unique 4.62, 5.62 A)
&rst
ixpk= 1461, nxpk= 10, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 508, 509, 510,
&end
#
# 34 MET HN 36 ALA HN 5.50 (# 241:10 Unique 3.63, 3.79 A)
&rst
ixpk= 241, nxpk= 10, iat= 485, 521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ILE HB 35 ILE HA 3.50 (# 2191:20 Unique 2.64, 2.66 A)
&rst
ixpk= 2191, nxpk= 20, iat= 506, 504, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 ILE HA 35 ILE HG1+ 3.50 (# 3010:20 Unique 2.20, 2.77 A)
&rst
ixpk= 3010, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 512, 513,
&end
#
# 35 ILE HA 35 ILE HG1- 3.50 (# 3011:20 Unique 2.20, 2.77 A)
&rst
ixpk= 3011, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 512, 513,
&end
#
# 35 ILE HA 35 ILE HN 3.50 (# 860:10 Unique 2.80, 2.82 A)
&rst
ixpk= 860, nxpk= 10, iat= 504, 502, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 ILE HA 35 ILE QD1 4.50 (# 2342:20 Unique 2.10, 3.78 A)
&rst
ixpk= 2342, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 515, 516, 517,
&end
#
# 35 ILE HA 35 ILE QG2 4.50 (# 2357:20 Unique 3.65, 3.91 A)
&rst
ixpk= 2357, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 508, 509, 510,
&end
#
# 36 ALA HN 35 ILE HA 3.50 (# 2187:20 Unique 3.43, 3.45 A)
&rst
ixpk= 2187, nxpk= 20, iat= 521, 504, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 ALA MB 35 ILE HA 5.50 (# 2195:20 Unique 5.71, 6.08 A)
&rst
ixpk= 2195, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 525, 526, 527,
&end
#
# 35 ILE HA 38 VAL HB 3.50 (# 2859:20 Unique 2.05, 2.15 A)
&rst
ixpk= 2859, nxpk= 20, iat= 504, 549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 VAL HN 35 ILE HA 4.50 (# 2184:20 Unique 2.90, 3.03 A)
&rst
ixpk= 2184, nxpk= 20, iat= 545, 504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 VAL MGY 35 ILE HA 3.50 (# 2194:20 Unique 2.55, 3.88 A)
&rst
ixpk= 2194, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 551, 552, 553, 555, 556, 557,
&end
#
# 90 PHE HD 35 ILE HA 4.50 (# 2183:20 Unique 3.23, 5.16 A)
&rst
ixpk= 2183, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1353,1361,
&end
#
# 90 PHE HE 35 ILE HA 4.50 (# 2185:20 Unique 2.53, 4.62 A)
&rst
ixpk= 2185, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1355,1359,
&end
#
# 35 ILE HB 35 ILE HG1+ 2.80 (# 3039:20 Unique 2.45, 2.77 A)
&rst
ixpk= 3039, nxpk= 20, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 512, 513,
&end
#
# 35 ILE HB 35 ILE HG1- 2.80 (# 3040:20 Unique 2.45, 2.77 A)
&rst
ixpk= 3040, nxpk= 20, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 512, 513,
&end
#
# 35 ILE HB 35 ILE HN 2.80 (# 862:10 Unique 2.13, 2.20 A)
&rst
ixpk= 862, nxpk= 10, iat= 506, 502, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 ILE HB 35 ILE QD1 3.50 (# 2348:20 Unique 2.45, 3.15 A)
&rst
ixpk= 2348, nxpk= 20, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 515, 516, 517,
&end
#
# 35 ILE HB 35 ILE QG2 3.50 (# 2382:20 Unique 2.36, 2.65 A)
&rst
ixpk= 2382, nxpk= 20, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 508, 509, 510,
&end
#
# 36 ALA HN 35 ILE HB 4.50 (# 1805:20 Unique 3.82, 3.89 A)
&rst
ixpk= 1805, nxpk= 20, iat= 521, 506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 ILE HB 90 PHE HA 4.50 (# 164:20 Unique 3.44, 3.80 A)
&rst
ixpk= 164, nxpk= 20, iat= 506,1347, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 PHE HD 35 ILE HB 3.50 (# 1804:20 Unique 2.35, 4.62 A)
&rst
ixpk= 1804, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1353,1361,
&end
#
# 35 ILE HN 35 ILE HG1+ 4.50 (# 3034:20 Unique 3.95, 4.43 A)
&rst
ixpk= 3034, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 512, 513,
&end
#
# 35 ILE HG1+ 35 ILE QD1 3.50 (# 2351:20 Unique 2.37, 2.66 A)
&rst
ixpk= 2351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 512, 513,
igr2= 515, 516, 517,
&end
#
# 35 ILE QG2 35 ILE HG1+ 3.50 (# 3041:20 Unique 2.43, 3.34 A)
&rst
ixpk= 3041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 508, 509, 510,
igr2= 512, 513,
&end
#
# 38 VAL HB 35 ILE HG1+ 4.50 (# 3038:20 Unique 2.76, 3.46 A)
&rst
ixpk= 3038, nxpk= 20, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 512, 513,
&end
#
# 35 ILE HG1+ 38 VAL HN 5.50 (# 1464:10 Unique 4.73, 5.26 A)
&rst
ixpk= 1464, nxpk= 10, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 512, 513,
&end
#
# 35 ILE HG1+ 38 VAL MGY 3.50 (# 1303:20 Unique 3.24, 5.02 A)
&rst
ixpk= 1303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 512, 513,
igr2= 551, 552, 553, 555, 556, 557,
&end
#
# 35 ILE HG1+ 90 PHE HA 5.50 (# 167:20 Unique 3.06, 4.20 A)
&rst
ixpk= 167, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 512, 513,
&end
#
# 90 PHE HD 35 ILE HG1+ 5.50 (# 3035:20 Unique 2.88, 5.64 A)
&rst
ixpk= 3035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1353,1361,
igr2= 512, 513,
&end
#
# 91 LYS HN 35 ILE HG1+ 5.50 (# 3037:20 Unique 2.64, 4.06 A)
&rst
ixpk= 3037, nxpk= 20, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 512, 513,
&end
#
# 35 ILE HG1- 35 ILE HN 4.50 (# 863:10 Unique 3.95, 4.43 A)
&rst
ixpk= 863, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 512, 513,
&end
#
# 35 ILE HG1- 35 ILE QD1 3.50 (# 2350:20 Unique 2.37, 2.66 A)
&rst
ixpk= 2350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 512, 513,
igr2= 515, 516, 517,
&end
#
# 35 ILE QG2 35 ILE HG1- 3.50 (# 3043:20 Unique 2.43, 3.34 A)
&rst
ixpk= 3043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 508, 509, 510,
igr2= 512, 513,
&end
#
# 35 ILE HG1- 36 ALA HN 5.50 (# 1372:10 Unique 4.77, 5.09 A)
&rst
ixpk= 1372, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 512, 513,
&end
#
# 35 ILE HG1- 38 VAL HB 4.50 (# 2857:20 Unique 2.76, 3.46 A)
&rst
ixpk= 2857, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 512, 513,
&end
#
# 35 ILE HG1- 38 VAL MGY 3.50 (# 1299:20 Unique 3.24, 5.02 A)
&rst
ixpk= 1299, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 512, 513,
igr2= 551, 552, 553, 555, 556, 557,
&end
#
# 35 ILE HG1- 90 PHE HA 4.50 (# 166:20 Unique 3.06, 4.20 A)
&rst
ixpk= 166, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 512, 513,
&end
#
# 90 PHE HD 35 ILE HG1- 5.50 (# 3012:20 Unique 2.88, 5.64 A)
&rst
ixpk= 3012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1353,1361,
igr2= 512, 513,
&end
#
# 91 LYS HN 35 ILE HG1- 4.50 (# 3036:20 Unique 2.64, 4.06 A)
&rst
ixpk= 3036, nxpk= 20, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 512, 513,
&end
#
# 35 ILE HN 35 ILE QD1 5.50 (# 2338:20 Unique 4.05, 5.00 A)
&rst
ixpk= 2338, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 515, 516, 517,
&end
#
# 35 ILE QG2 35 ILE HN 2.80 (# 864:10 Unique 2.94, 3.68 A)
&rst
ixpk= 864, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 508, 509, 510,
&end
#
# 36 ALA HN 35 ILE HN 2.80 (# 858:10 Unique 2.63, 2.69 A)
&rst
ixpk= 858, nxpk= 10, iat= 521, 502, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 ILE HN 36 ALA MB 4.50 (# 2336:20 Unique 4.87, 5.47 A)
&rst
ixpk= 2336, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 525, 526, 527,
&end
#
# 35 ILE HN 37 PRO HD+ 5.50 (# 336:20 Unique 4.06, 4.98 A)
&rst
ixpk= 336, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 532, 533,
&end
#
# 90 PHE HD 35 ILE HN 4.50 (# 859:10 Unique 2.84, 5.15 A)
&rst
ixpk= 859, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1353,1361,
&end
#
# 38 VAL HB 35 ILE QD1 5.50 (# 2347:20 Unique 2.50, 4.55 A)
&rst
ixpk= 2347, nxpk= 20, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 515, 516, 517,
&end
#
# 73 PRO HB+ 35 ILE QD1 4.50 (# 2349:20 Unique 2.44, 4.20 A)
&rst
ixpk= 2349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1100,1101,
igr2= 515, 516, 517,
&end
#
# 73 PRO HB- 35 ILE QD1 4.50 (# 2346:20 Unique 2.44, 4.20 A)
&rst
ixpk= 2346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1100,1101,
igr2= 515, 516, 517,
&end
#
# 35 ILE QD1 73 PRO HG+ 4.50 (# 1547:20 Unique 2.71, 4.43 A)
&rst
ixpk= 1547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 515, 516, 517,
igr2=1097,1098,
&end
#
# 90 PHE HA 35 ILE QD1 3.50 (# 2344:20 Unique 2.16, 3.10 A)
&rst
ixpk= 2344, nxpk= 20, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 515, 516, 517,
&end
#
# 35 ILE QD1 90 PHE HB+ 5.50 (# 714:20 Unique 3.56, 5.35 A)
&rst
ixpk= 714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 515, 516, 517,
igr2=1349,1350,
&end
#
# 35 ILE QD1 90 PHE HB- 5.50 (# 713:20 Unique 3.56, 5.35 A)
&rst
ixpk= 713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 515, 516, 517,
igr2=1349,1350,
&end
#
# 90 PHE HD 35 ILE QD1 4.50 (# 2340:20 Unique 2.31, 5.09 A)
&rst
ixpk= 2340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1353,1361,
igr2= 515, 516, 517,
&end
#
# 90 PHE HN 35 ILE QD1 5.50 (# 2337:20 Unique 4.43, 5.71 A)
&rst
ixpk= 2337, nxpk= 20, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 515, 516, 517,
&end
#
# 91 LYS HB- 35 ILE QD1 4.50 (# 2352:20 Unique 2.96, 4.89 A)
&rst
ixpk= 2352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1369,1370,
igr2= 515, 516, 517,
&end
#
# 35 ILE QD1 91 LYS HN 3.50 (# 124:10 Unique 2.18, 3.19 A)
&rst
ixpk= 124, nxpk= 10, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 515, 516, 517,
&end
#
# 96 LEU MDX 35 ILE QD1 3.50 (# 2353:20 Unique 2.34, 5.77 A)
&rst
ixpk= 2353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1457,1458,1459,1461,1462,1463,
igr2= 515, 516, 517,
&end
#
# 36 ALA HA 35 ILE QG2 4.50 (# 2354:20 Unique 3.54, 4.27 A)
&rst
ixpk= 2354, nxpk= 20, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 508, 509, 510,
&end
#
# 35 ILE QG2 36 ALA HN 3.50 (# 240:10 Unique 2.63, 3.57 A)
&rst
ixpk= 240, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 508, 509, 510,
&end
#
# 36 ALA MB 35 ILE QG2 4.50 (# 2379:20 Unique 3.71, 5.47 A)
&rst
ixpk= 2379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 525, 526, 527,
igr2= 508, 509, 510,
&end
#
# 37 PRO HD- 35 ILE QG2 5.50 (# 2356:20 Unique 5.01, 6.60 A)
&rst
ixpk= 2356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 532, 533,
igr2= 508, 509, 510,
&end
#
# 35 ILE QG2 38 VAL HB 4.50 (# 2852:20 Unique 4.56, 5.30 A)
&rst
ixpk= 2852, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 508, 509, 510,
&end
#
# 35 ILE QG2 38 VAL HN 5.50 (# 1463:10 Unique 5.41, 5.92 A)
&rst
ixpk= 1463, nxpk= 10, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 508, 509, 510,
&end
#
# 35 ILE QG2 39 LEU HN 5.50 (# 1465:10 Unique 4.57, 5.47 A)
&rst
ixpk= 1465, nxpk= 10, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 508, 509, 510,
&end
#
# 35 ILE QG2 73 PRO HB+ 3.50 (# 1769:20 Unique 2.24, 3.74 A)
&rst
ixpk= 1769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 508, 509, 510,
igr2=1100,1101,
&end
#
# 73 PRO HB- 35 ILE QG2 4.50 (# 2377:20 Unique 2.24, 3.74 A)
&rst
ixpk= 2377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1100,1101,
igr2= 508, 509, 510,
&end
#
# 35 ILE QG2 73 PRO HG+ 4.50 (# 1546:20 Unique 3.10, 4.74 A)
&rst
ixpk= 1546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 508, 509, 510,
igr2=1097,1098,
&end
#
# 90 PHE HD 35 ILE QG2 4.50 (# 2360:20 Unique 4.55, 7.11 A)
&rst
ixpk= 2360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1353,1361,
igr2= 508, 509, 510,
&end
#
# 36 ALA MB 36 ALA HA 2.80 (# 222:20 Unique 2.39, 2.65 A)
&rst
ixpk= 222, nxpk= 20, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 525, 526, 527,
&end
#
# 37 PRO HD- 36 ALA HA 4.50 (# 221:20 Unique 3.94, 4.15 A)
&rst
ixpk= 221, nxpk= 20, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 532, 533,
&end
#
# 38 VAL HN 36 ALA HA 5.50 (# 218:20 Unique 4.27, 4.30 A)
&rst
ixpk= 218, nxpk= 20, iat= 545, 523, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 ALA HA 39 LEU MDY 3.50 (# 2587:20 Unique 2.34, 4.79 A)
&rst
ixpk= 2587, nxpk= 20, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 36 ALA MB 36 ALA HN 2.80 (# 239:10 Unique 2.49, 2.94 A)
&rst
ixpk= 239, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 525, 526, 527,
&end
#
# 36 ALA HN 37 PRO HD+ 3.50 (# 335:20 Unique 2.40, 3.15 A)
&rst
ixpk= 335, nxpk= 20, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 532, 533,
&end
#
# 37 PRO HD- 36 ALA HN 3.50 (# 238:10 Unique 2.40, 3.15 A)
&rst
ixpk= 238, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 532, 533,
&end
#
# 38 VAL HN 36 ALA HN 4.50 (# 1366:10 Unique 3.82, 3.86 A)
&rst
ixpk= 1366, nxpk= 10, iat= 545, 521, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 ALA HN 38 VAL MGY 5.50 (# 1311:20 Unique 5.03, 6.68 A)
&rst
ixpk= 1311, nxpk= 20, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 551, 552, 553, 555, 556, 557,
&end
#
# 90 PHE HD 36 ALA HN 5.50 (# 1367:10 Unique 5.31, 7.59 A)
&rst
ixpk= 1367, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1353,1361,
&end
#
# 36 ALA MB 37 PRO HA 5.50 (# 2213:20 Unique 4.59, 5.11 A)
&rst
ixpk= 2213, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 525, 526, 527,
&end
#
# 36 ALA MB 37 PRO HD+ 3.50 (# 343:20 Unique 2.29, 3.24 A)
&rst
ixpk= 343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 525, 526, 527,
igr2= 532, 533,
&end
#
# 37 PRO HD- 36 ALA MB 2.80 (# 2328:20 Unique 2.29, 3.24 A)
&rst
ixpk= 2328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 532, 533,
igr2= 525, 526, 527,
&end
#
# 39 LEU MDY 36 ALA MB 4.50 (# 2323:20 Unique 4.21, 7.18 A)
&rst
ixpk= 2323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 570, 571, 572, 574, 575, 576,
igr2= 525, 526, 527,
&end
#
# 37 PRO HA 37 PRO HB+ 3.50 (# 1487:20 Unique 2.22, 2.52 A)
&rst
ixpk= 1487, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 538, 539,
&end
#
# 37 PRO HA 37 PRO HB- 2.80 (# 3138:20 Unique 2.22, 2.52 A)
&rst
ixpk= 3138, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 538, 539,
&end
#
# 37 PRO HD- 37 PRO HA 3.50 (# 2210:20 Unique 3.27, 3.67 A)
&rst
ixpk= 2210, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 532, 533,
&end
#
# 40 GLU HB+ 37 PRO HA 2.80 (# 2212:20 Unique 2.22, 3.16 A)
&rst
ixpk= 2212, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 584, 585,
&end
#
# 37 PRO HA 40 GLU HN 3.50 (# 825:10 Unique 2.84, 2.89 A)
&rst
ixpk= 825, nxpk= 10, iat= 541, 580, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 PRO HA 41 GLU HN 4.50 (# 527:10 Unique 3.80, 3.88 A)
&rst
ixpk= 527, nxpk= 10, iat= 541, 595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 PRO HD+ 37 PRO HB+ 3.50 (# 3140:20 Unique 2.88, 3.72 A)
&rst
ixpk= 3140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 532, 533,
igr2= 538, 539,
&end
#
# 37 PRO HD- 37 PRO HB+ 4.50 (# 1489:20 Unique 2.88, 3.72 A)
&rst
ixpk= 1489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 532, 533,
igr2= 538, 539,
&end
#
# 38 VAL HA 37 PRO HB+ 5.50 (# 3142:20 Unique 4.27, 5.01 A)
&rst
ixpk= 3142, nxpk= 20, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 538, 539,
&end
#
# 38 VAL HN 37 PRO HB+ 4.50 (# 1488:20 Unique 3.50, 4.04 A)
&rst
ixpk= 1488, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 538, 539,
&end
#
# 38 VAL MGY 37 PRO HB+ 4.50 (# 3144:20 Unique 4.47, 6.97 A)
&rst
ixpk= 3144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 551, 552, 553, 555, 556, 557,
igr2= 538, 539,
&end
#
# 37 PRO HD+ 37 PRO HB- 3.50 (# 3141:20 Unique 2.88, 3.72 A)
&rst
ixpk= 3141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 532, 533,
igr2= 538, 539,
&end
#
# 37 PRO HD- 37 PRO HB- 4.50 (# 3139:20 Unique 2.88, 3.72 A)
&rst
ixpk= 3139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 532, 533,
igr2= 538, 539,
&end
#
# 37 PRO HG+ 37 PRO HB- 2.80 (# 3145:20 Unique 2.32, 2.61 A)
&rst
ixpk= 3145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 535, 536,
igr2= 538, 539,
&end
#
# 38 VAL HA 37 PRO HB- 4.50 (# 3143:20 Unique 4.27, 5.01 A)
&rst
ixpk= 3143, nxpk= 20, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 538, 539,
&end
#
# 38 VAL HN 37 PRO HB- 4.50 (# 3137:20 Unique 3.50, 4.04 A)
&rst
ixpk= 3137, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 538, 539,
&end
#
# 37 PRO HG+ 37 PRO HD+ 3.50 (# 340:20 Unique 2.33, 2.61 A)
&rst
ixpk= 340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 535, 536,
igr2= 532, 533,
&end
#
# 38 VAL HN 37 PRO HD+ 4.50 (# 334:20 Unique 3.12, 3.77 A)
&rst
ixpk= 334, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 532, 533,
&end
#
# 38 VAL MGY 37 PRO HD+ 4.50 (# 344:20 Unique 4.61, 7.29 A)
&rst
ixpk= 344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 551, 552, 553, 555, 556, 557,
igr2= 532, 533,
&end
#
# 37 PRO HG+ 37 PRO HD- 2.80 (# 352:20 Unique 2.33, 2.61 A)
&rst
ixpk= 352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 535, 536,
igr2= 532, 533,
&end
#
# 38 VAL HN 37 PRO HD- 4.50 (# 348:20 Unique 3.12, 3.77 A)
&rst
ixpk= 348, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 532, 533,
&end
#
# 37 PRO HD- 38 VAL MGY 5.50 (# 1304:20 Unique 4.61, 7.29 A)
&rst
ixpk= 1304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 532, 533,
igr2= 551, 552, 553, 555, 556, 557,
&end
#
# 37 PRO HG+ 38 VAL HN 3.50 (# 588:10 Unique 2.82, 3.76 A)
&rst
ixpk= 588, nxpk= 10, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 535, 536,
&end
#
# 38 VAL HA 38 VAL HB 3.50 (# 2858:20 Unique 3.02, 3.04 A)
&rst
ixpk= 2858, nxpk= 20, iat= 547, 549, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 VAL HA 38 VAL HN 2.80 (# 585:10 Unique 2.87, 2.87 A)
&rst
ixpk= 585, nxpk= 10, iat= 547, 545, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 38 VAL MGX 38 VAL HA 2.80 (# 61:20 Unique 2.46, 3.15 A)
&rst
ixpk= 61, nxpk= 20, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 551, 552, 553, 555, 556, 557,
&end
#
# 38 VAL HA 38 VAL MGY 2.80 (# 1305:20 Unique 2.46, 3.15 A)
&rst
ixpk= 1305, nxpk= 20, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 551, 552, 553, 555, 556, 557,
&end
#
# 40 GLU HN 38 VAL HA 5.50 (# 58:20 Unique 4.37, 4.44 A)
&rst
ixpk= 58, nxpk= 20, iat= 580, 547, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 VAL HA 41 GLU HB+ 4.50 (# 3151:20 Unique 2.67, 3.60 A)
&rst
ixpk= 3151, nxpk= 20, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 599, 600,
&end
#
# 38 VAL HA 41 GLU HB- 3.50 (# 3152:20 Unique 2.67, 3.60 A)
&rst
ixpk= 3152, nxpk= 20, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 599, 600,
&end
#
# 38 VAL HA 41 GLU HG+ 4.50 (# 1705:20 Unique 3.55, 3.96 A)
&rst
ixpk= 1705, nxpk= 20, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 602, 603,
&end
#
# 38 VAL HA 41 GLU HN 3.50 (# 530:10 Unique 3.31, 3.45 A)
&rst
ixpk= 530, nxpk= 10, iat= 547, 595, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 LEU HN 38 VAL HA 5.50 (# 57:20 Unique 4.15, 4.25 A)
&rst
ixpk= 57, nxpk= 20, iat= 610, 547, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LYS HA 38 VAL HA 5.50 (# 70:20 Unique 4.39, 4.54 A)
&rst
ixpk= 70, nxpk= 20, iat=1403, 547, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 VAL HB 38 VAL HN 2.80 (# 586:10 Unique 2.29, 2.50 A)
&rst
ixpk= 586, nxpk= 10, iat= 549, 545, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 38 VAL HB 38 VAL MGX 4.50 (# 2538:20 Unique 2.38, 2.65 A)
&rst
ixpk= 2538, nxpk= 20, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 551, 552, 553, 555, 556, 557,
&end
#
# 38 VAL HB 38 VAL MGY 2.80 (# 1296:20 Unique 2.38, 2.65 A)
&rst
ixpk= 1296, nxpk= 20, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 551, 552, 553, 555, 556, 557,
&end
#
# 38 VAL HB 39 LEU HN 2.80 (# 802:10 Unique 2.69, 2.77 A)
&rst
ixpk= 802, nxpk= 10, iat= 549, 561, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 38 VAL MGX 38 VAL HN 3.50 (# 590:10 Unique 2.23, 3.88 A)
&rst
ixpk= 590, nxpk= 10, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 551, 552, 553, 555, 556, 557,
&end
#
# 38 VAL MGY 38 VAL HN 2.80 (# 589:10 Unique 2.23, 3.88 A)
&rst
ixpk= 589, nxpk= 10, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 551, 552, 553, 555, 556, 557,
&end
#
# 38 VAL HN 39 LEU HN 2.80 (# 799:10 Unique 2.66, 2.69 A)
&rst
ixpk= 799, nxpk= 10, iat= 545, 561, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 38 VAL HN 39 LEU MDY 5.50 (# 2589:20 Unique 5.13, 6.58 A)
&rst
ixpk= 2589, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 40 GLU HN 38 VAL HN 5.50 (# 592:10 Unique 4.06, 4.11 A)
&rst
ixpk= 592, nxpk= 10, iat= 580, 545, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 LEU HN 38 VAL MGX 4.50 (# 2541:20 Unique 3.41, 4.64 A)
&rst
ixpk= 2541, nxpk= 20, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 551, 552, 553, 555, 556, 557,
&end
#
# 38 VAL MGX 41 GLU HB+ 5.50 (# 3159:20 Unique 3.75, 5.88 A)
&rst
ixpk= 3159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 551, 552, 553, 555, 556, 557,
igr2= 599, 600,
&end
#
# 38 VAL MGX 41 GLU HB- 5.50 (# 3160:20 Unique 3.75, 5.88 A)
&rst
ixpk= 3160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 551, 552, 553, 555, 556, 557,
igr2= 599, 600,
&end
#
# 38 VAL MGX 41 GLU HN 5.50 (# 1416:10 Unique 5.21, 6.11 A)
&rst
ixpk= 1416, nxpk= 10, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 551, 552, 553, 555, 556, 557,
&end
#
# 38 VAL MGX 42 LEU HN 4.50 (# 554:10 Unique 4.22, 6.01 A)
&rst
ixpk= 554, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 551, 552, 553, 555, 556, 557,
&end
#
# 38 VAL MGX 92 PRO HB+ 5.50 (# 1618:20 Unique 5.30, 6.26 A)
&rst
ixpk= 1618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 551, 552, 553, 555, 556, 557,
igr2=1394,1395,
&end
#
# 38 VAL MGX 92 PRO HB- 5.50 (# 1619:20 Unique 5.30, 6.26 A)
&rst
ixpk= 1619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 551, 552, 553, 555, 556, 557,
igr2=1394,1395,
&end
#
# 93 LYS HA 38 VAL MGX 3.50 (# 2537:20 Unique 2.16, 3.99 A)
&rst
ixpk= 2537, nxpk= 20, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 551, 552, 553, 555, 556, 557,
&end
#
# 38 VAL MGX 93 LYS HB+ 4.50 (# 1621:20 Unique 2.27, 4.60 A)
&rst
ixpk= 1621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 551, 552, 553, 555, 556, 557,
igr2=1405,1406,
&end
#
# 38 VAL MGX 93 LYS HB- 4.50 (# 1620:20 Unique 2.27, 4.60 A)
&rst
ixpk= 1620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 551, 552, 553, 555, 556, 557,
igr2=1405,1406,
&end
#
# 38 VAL MGX 93 LYS HN 4.50 (# 510:10 Unique 2.71, 3.95 A)
&rst
ixpk= 510, nxpk= 10, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 551, 552, 553, 555, 556, 557,
&end
#
# 38 VAL MGX 96 LEU HN 5.50 (# 1484:10 Unique 4.81, 6.44 A)
&rst
ixpk= 1484, nxpk= 10, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 551, 552, 553, 555, 556, 557,
&end
#
# 39 LEU HN 38 VAL MGY 4.50 (# 1312:20 Unique 3.41, 4.64 A)
&rst
ixpk= 1312, nxpk= 20, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 551, 552, 553, 555, 556, 557,
&end
#
# 42 LEU MDX 38 VAL MGY 4.50 (# 1302:20 Unique 2.51, 6.97 A)
&rst
ixpk= 1302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 619, 620, 621, 623, 624, 625,
igr2= 551, 552, 553, 555, 556, 557,
&end
#
# 90 PHE HD 38 VAL MGY 4.50 (# 1309:20 Unique 4.22, 6.56 A)
&rst
ixpk= 1309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1353,1361,
igr2= 551, 552, 553, 555, 556, 557,
&end
#
# 90 PHE HE 38 VAL MGY 3.50 (# 1310:20 Unique 2.36, 5.08 A)
&rst
ixpk= 1310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1355,1359,
igr2= 551, 552, 553, 555, 556, 557,
&end
#
# 38 VAL MGY 92 PRO HB+ 5.50 (# 1616:20 Unique 5.30, 6.26 A)
&rst
ixpk= 1616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 551, 552, 553, 555, 556, 557,
igr2=1394,1395,
&end
#
# 38 VAL MGY 92 PRO HB- 5.50 (# 1615:20 Unique 5.30, 6.26 A)
&rst
ixpk= 1615, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 551, 552, 553, 555, 556, 557,
igr2=1394,1395,
&end
#
# 93 LYS HA 38 VAL MGY 4.50 (# 1295:20 Unique 2.16, 3.99 A)
&rst
ixpk= 1295, nxpk= 20, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 551, 552, 553, 555, 556, 557,
&end
#
# 93 LYS HB- 38 VAL MGY 3.50 (# 1298:20 Unique 2.27, 4.60 A)
&rst
ixpk= 1298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1405,1406,
igr2= 551, 552, 553, 555, 556, 557,
&end
#
# 38 VAL MGY 93 LYS HN 3.50 (# 503:10 Unique 2.71, 3.95 A)
&rst
ixpk= 503, nxpk= 10, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 551, 552, 553, 555, 556, 557,
&end
#
# 96 LEU MDX 38 VAL MGY 4.50 (# 1301:20 Unique 2.20, 6.31 A)
&rst
ixpk= 1301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1457,1458,1459,1461,1462,1463,
igr2= 551, 552, 553, 555, 556, 557,
&end
#
# 39 LEU HA 39 LEU HB+ 3.50 (# 1040:20 Unique 2.54, 2.79 A)
&rst
ixpk= 1040, nxpk= 20, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 565, 566,
&end
#
# 39 LEU HA 39 LEU HB- 3.50 (# 1818:20 Unique 2.54, 2.79 A)
&rst
ixpk= 1818, nxpk= 20, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 565, 566,
&end
#
# 39 LEU HA 39 LEU HG 4.50 (# 3074:20 Unique 2.62, 2.69 A)
&rst
ixpk= 3074, nxpk= 20, iat= 563, 568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 LEU HA 39 LEU HN 2.80 (# 801:10 Unique 2.85, 2.86 A)
&rst
ixpk= 801, nxpk= 10, iat= 563, 561, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 40 GLU HN 39 LEU HA 4.50 (# 244:20 Unique 3.58, 3.60 A)
&rst
ixpk= 244, nxpk= 20, iat= 580, 563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 LEU HA 52 ILE QG2 5.50 (# 1152:20 Unique 4.16, 5.46 A)
&rst
ixpk= 1152, nxpk= 20, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 778, 779, 780,
&end
#
# 39 LEU HG 39 LEU HB+ 4.50 (# 1042:20 Unique 2.64, 2.85 A)
&rst
ixpk= 1042, nxpk= 20, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 565, 566,
&end
#
# 39 LEU HN 39 LEU HB+ 4.50 (# 1038:20 Unique 2.31, 2.94 A)
&rst
ixpk= 1038, nxpk= 20, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 565, 566,
&end
#
# 39 LEU HB+ 40 GLU HN 3.50 (# 831:10 Unique 2.89, 3.35 A)
&rst
ixpk= 831, nxpk= 10, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 565, 566,
&end
#
# 39 LEU HB+ 52 ILE QD1 3.50 (# 1134:20 Unique 2.42, 4.17 A)
&rst
ixpk= 1134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 565, 566,
igr2= 785, 786, 787,
&end
#
# 39 LEU HG 39 LEU HB- 3.50 (# 1817:20 Unique 2.64, 2.85 A)
&rst
ixpk= 1817, nxpk= 20, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 565, 566,
&end
#
# 39 LEU HB- 39 LEU HN 2.80 (# 803:10 Unique 2.31, 2.94 A)
&rst
ixpk= 803, nxpk= 10, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 565, 566,
&end
#
# 39 LEU HB- 39 LEU MDY 3.50 (# 2591:20 Unique 2.31, 3.30 A)
&rst
ixpk= 2591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 565, 566,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 39 LEU HB- 40 GLU HN 2.80 (# 829:10 Unique 2.89, 3.35 A)
&rst
ixpk= 829, nxpk= 10, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 565, 566,
&end
#
# 39 LEU HG 39 LEU HN 2.80 (# 804:10 Unique 2.40, 2.48 A)
&rst
ixpk= 804, nxpk= 10, iat= 568, 561, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 39 LEU HG 40 GLU HN 5.50 (# 830:10 Unique 4.63, 4.67 A)
&rst
ixpk= 830, nxpk= 10, iat= 568, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 LEU HN 39 LEU MDY 4.50 (# 2590:20 Unique 3.33, 4.39 A)
&rst
ixpk= 2590, nxpk= 20, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 570, 571, 572, 574, 575, 576,
&end
#
# 40 GLU HN 39 LEU HN 2.80 (# 798:10 Unique 2.63, 2.66 A)
&rst
ixpk= 798, nxpk= 10, iat= 580, 561, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 VAL HB 4 VAL HA 3.50 (# 2162:20 Unique 3.04, 3.05 A)
&rst
ixpk= 2162, nxpk= 20, iat= 54, 52, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 VAL HA 4 VAL HN 3.50 (# 95:10 Unique 2.97, 2.98 A)
&rst
ixpk= 95, nxpk= 10, iat= 52, 50, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 VAL HA 4 VAL MGX 3.50 (# 2571:20 Unique 2.43, 3.19 A)
&rst
ixpk= 2571, nxpk= 20, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 4 VAL MGY 4 VAL HA 2.80 (# 2166:20 Unique 2.43, 3.19 A)
&rst
ixpk= 2166, nxpk= 20, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 56, 57, 58, 60, 61, 62,
&end
#
# 4 VAL HA 5 LYS HN 2.80 (# 167:10 Unique 2.50, 2.55 A)
&rst
ixpk= 167, nxpk= 10, iat= 52, 66, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 VAL HB 4 VAL HN 2.80 (# 99:10 Unique 2.43, 2.52 A)
&rst
ixpk= 99, nxpk= 10, iat= 54, 50, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 VAL HB 4 VAL MGX 2.80 (# 2575:20 Unique 2.38, 2.66 A)
&rst
ixpk= 2575, nxpk= 20, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 4 VAL HB 5 LYS HN 3.50 (# 168:10 Unique 3.55, 3.58 A)
&rst
ixpk= 168, nxpk= 10, iat= 54, 66, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 VAL HA 4 VAL HB 3.50 (# 1666:20 Unique 2.42, 2.70 A)
&rst
ixpk= 1666, nxpk= 20, iat= 793, 54, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 VAL HB 53 VAL MGY 3.50 (# 2497:20 Unique 2.34, 4.35 A)
&rst
ixpk= 2497, nxpk= 20, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 4 VAL HN 4 VAL MGX 3.50 (# 2581:20 Unique 2.54, 4.10 A)
&rst
ixpk= 2581, nxpk= 20, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 4 VAL MGY 4 VAL HN 2.80 (# 101:10 Unique 2.54, 4.10 A)
&rst
ixpk= 101, nxpk= 10, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 56, 57, 58, 60, 61, 62,
&end
#
# 53 VAL HA 4 VAL HN 2.80 (# 94:10 Unique 2.85, 2.90 A)
&rst
ixpk= 94, nxpk= 10, iat= 793, 50, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 53 VAL MGY 4 VAL HN 4.50 (# 1252:10 Unique 4.19, 5.61 A)
&rst
ixpk= 1252, nxpk= 10, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 4 VAL MGX 5 LYS HN 2.80 (# 172:10 Unique 2.08, 3.74 A)
&rst
ixpk= 172, nxpk= 10, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 56, 57, 58, 60, 61, 62,
&end
#
# 51 LYS HD+ 4 VAL MGX 4.50 (# 2576:20 Unique 2.18, 4.18 A)
&rst
ixpk= 2576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 760, 761,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 51 LYS HE- 4 VAL MGX 5.50 (# 2572:20 Unique 4.16, 5.80 A)
&rst
ixpk= 2572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 763, 764,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 51 LYS HG- 4 VAL MGX 4.50 (# 2577:20 Unique 2.49, 5.33 A)
&rst
ixpk= 2577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 757, 758,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 5 LYS HN 4 VAL MGY 4.50 (# 1368:20 Unique 2.08, 3.74 A)
&rst
ixpk= 1368, nxpk= 20, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 51 LYS HD+ 4 VAL MGY 3.50 (# 1367:20 Unique 2.18, 4.18 A)
&rst
ixpk= 1367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 760, 761,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 4 VAL MGY 51 LYS HE- 3.50 (# 1918:20 Unique 4.16, 5.80 A)
&rst
ixpk= 1918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 56, 57, 58, 60, 61, 62,
igr2= 763, 764,
&end
#
# 51 LYS HG- 4 VAL MGY 3.50 (# 1366:20 Unique 2.49, 5.33 A)
&rst
ixpk= 1366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 757, 758,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 53 VAL HA 4 VAL MGY 4.50 (# 1362:20 Unique 3.77, 4.89 A)
&rst
ixpk= 1362, nxpk= 20, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 40 GLU HA 40 GLU HB+ 2.80 (# 1468:20 Unique 2.47, 2.77 A)
&rst
ixpk= 1468, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 584, 585,
&end
#
# 40 GLU HA 40 GLU HG+ 3.50 (# 1971:20 Unique 2.40, 2.72 A)
&rst
ixpk= 1971, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 587, 588,
&end
#
# 40 GLU HA 40 GLU HG- 3.50 (# 1972:20 Unique 2.40, 2.72 A)
&rst
ixpk= 1972, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 587, 588,
&end
#
# 40 GLU HN 40 GLU HA 3.50 (# 193:20 Unique 2.86, 2.87 A)
&rst
ixpk= 193, nxpk= 20, iat= 580, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 GLU HA 43 ASP HB+ 3.50 (# 1954:20 Unique 2.25, 2.76 A)
&rst
ixpk= 1954, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 633, 634,
&end
#
# 40 GLU HA 43 ASP HB- 3.50 (# 1953:20 Unique 2.25, 2.76 A)
&rst
ixpk= 1953, nxpk= 20, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 633, 634,
&end
#
# 43 ASP HN 40 GLU HA 3.50 (# 194:20 Unique 2.96, 3.07 A)
&rst
ixpk= 194, nxpk= 20, iat= 629, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 GLU HB+ 40 GLU HN 2.80 (# 828:10 Unique 2.44, 3.07 A)
&rst
ixpk= 828, nxpk= 10, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 584, 585,
&end
#
# 40 GLU HB+ 41 GLU HN 3.50 (# 533:10 Unique 2.73, 3.22 A)
&rst
ixpk= 533, nxpk= 10, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 584, 585,
&end
#
# 40 GLU HB+ 43 ASP HB+ 5.50 (# 1956:20 Unique 3.95, 5.24 A)
&rst
ixpk= 1956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 584, 585,
igr2= 633, 634,
&end
#
# 40 GLU HB+ 43 ASP HB- 5.50 (# 1955:20 Unique 3.95, 5.24 A)
&rst
ixpk= 1955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 584, 585,
igr2= 633, 634,
&end
#
# 40 GLU HB+ 44 GLN HE2+ 4.50 (# 1090:10 Unique 2.85, 4.63 A)
&rst
ixpk= 1090, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 584, 585,
igr2= 653, 654,
&end
#
# 40 GLU HB+ 44 GLN HE2- 5.50 (# 1092:10 Unique 2.85, 4.63 A)
&rst
ixpk= 1092, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 584, 585,
igr2= 653, 654,
&end
#
# 40 GLU HG- 40 GLU HN 2.80 (# 827:10 Unique 2.43, 3.02 A)
&rst
ixpk= 827, nxpk= 10, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 587, 588,
&end
#
# 40 GLU HN 41 GLU HN 2.80 (# 526:10 Unique 2.69, 2.73 A)
&rst
ixpk= 526, nxpk= 10, iat= 580, 595, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 40 GLU HN 42 LEU HN 5.50 (# 1298:10 Unique 4.00, 4.16 A)
&rst
ixpk= 1298, nxpk= 10, iat= 580, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 GLU HA 41 GLU HB+ 3.50 (# 3154:20 Unique 2.46, 2.78 A)
&rst
ixpk= 3154, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 599, 600,
&end
#
# 41 GLU HA 41 GLU HB- 3.50 (# 3153:20 Unique 2.46, 2.78 A)
&rst
ixpk= 3153, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 599, 600,
&end
#
# 41 GLU HA 41 GLU HG+ 4.50 (# 1704:20 Unique 2.19, 3.15 A)
&rst
ixpk= 1704, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 602, 603,
&end
#
# 41 GLU HA 41 GLU HG- 3.50 (# 830:20 Unique 2.19, 3.15 A)
&rst
ixpk= 830, nxpk= 20, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 602, 603,
&end
#
# 41 GLU HA 41 GLU HN 2.80 (# 528:10 Unique 2.85, 2.86 A)
&rst
ixpk= 528, nxpk= 10, iat= 597, 595, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 41 GLU HA 42 LEU HN 4.50 (# 548:10 Unique 3.52, 3.59 A)
&rst
ixpk= 548, nxpk= 10, iat= 597, 610, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 GLU HN 41 GLU HA 4.50 (# 248:20 Unique 4.05, 4.16 A)
&rst
ixpk= 248, nxpk= 20, iat= 658, 597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 GLU HG+ 41 GLU HB+ 3.50 (# 3155:20 Unique 2.39, 2.65 A)
&rst
ixpk= 3155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 602, 603,
igr2= 599, 600,
&end
#
# 41 GLU HN 41 GLU HB+ 3.50 (# 3150:20 Unique 2.24, 3.00 A)
&rst
ixpk= 3150, nxpk= 20, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 599, 600,
&end
#
# 41 GLU HB+ 42 LEU HN 3.50 (# 551:10 Unique 2.67, 3.14 A)
&rst
ixpk= 551, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 599, 600,
&end
#
# 93 LYS HD+ 41 GLU HB+ 4.50 (# 3161:20 Unique 2.22, 3.69 A)
&rst
ixpk= 3161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1411,1412,
igr2= 599, 600,
&end
#
# 93 LYS HG+ 41 GLU HB+ 4.50 (# 3158:20 Unique 2.21, 3.57 A)
&rst
ixpk= 3158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1408,1409,
igr2= 599, 600,
&end
#
# 41 GLU HG+ 41 GLU HB- 3.50 (# 3156:20 Unique 2.39, 2.65 A)
&rst
ixpk= 3156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 602, 603,
igr2= 599, 600,
&end
#
# 41 GLU HB- 41 GLU HN 2.80 (# 532:10 Unique 2.24, 3.00 A)
&rst
ixpk= 532, nxpk= 10, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 599, 600,
&end
#
# 41 GLU HB- 42 LEU HN 2.80 (# 550:10 Unique 2.67, 3.14 A)
&rst
ixpk= 550, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 599, 600,
&end
#
# 93 LYS HD+ 41 GLU HB- 5.50 (# 3162:20 Unique 2.22, 3.69 A)
&rst
ixpk= 3162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1411,1412,
igr2= 599, 600,
&end
#
# 93 LYS HG+ 41 GLU HB- 5.50 (# 3157:20 Unique 2.21, 3.57 A)
&rst
ixpk= 3157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1408,1409,
igr2= 599, 600,
&end
#
# 41 GLU HG+ 41 GLU HN 2.80 (# 531:10 Unique 2.42, 3.19 A)
&rst
ixpk= 531, nxpk= 10, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 602, 603,
&end
#
# 42 LEU HN 41 GLU HG+ 5.50 (# 1700:20 Unique 4.53, 4.88 A)
&rst
ixpk= 1700, nxpk= 20, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 602, 603,
&end
#
# 93 LYS HD+ 41 GLU HG+ 4.50 (# 1709:20 Unique 2.55, 4.77 A)
&rst
ixpk= 1709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1411,1412,
igr2= 602, 603,
&end
#
# 93 LYS HG+ 41 GLU HG+ 5.50 (# 1711:20 Unique 2.94, 5.47 A)
&rst
ixpk= 1711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1408,1409,
igr2= 602, 603,
&end
#
# 41 GLU HG- 41 GLU HN 2.80 (# 1546:10 Unique 2.42, 3.19 A)
&rst
ixpk= 1546, nxpk= 10, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 602, 603,
&end
#
# 42 LEU HN 41 GLU HN 2.80 (# 524:10 Unique 2.67, 2.77 A)
&rst
ixpk= 524, nxpk= 10, iat= 610, 595, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 42 LEU HA 42 LEU HB+ 2.80 (# 3015:20 Unique 2.66, 2.89 A)
&rst
ixpk= 3015, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 614, 615,
&end
#
# 42 LEU HA 42 LEU HG 4.50 (# 1414:20 Unique 2.22, 3.18 A)
&rst
ixpk= 1414, nxpk= 20, iat= 612, 617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 LEU HA 42 LEU HN 2.80 (# 549:10 Unique 2.82, 2.84 A)
&rst
ixpk= 549, nxpk= 10, iat= 612, 610, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 42 LEU HA 42 LEU MDY 3.50 (# 2719:20 Unique 2.10, 3.38 A)
&rst
ixpk= 2719, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 45 GLU HB+ 42 LEU HA 2.80 (# 237:20 Unique 2.11, 3.06 A)
&rst
ixpk= 237, nxpk= 20, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 662, 663,
&end
#
# 42 LEU HA 45 GLU HN 3.50 (# 853:10 Unique 2.71, 2.86 A)
&rst
ixpk= 853, nxpk= 10, iat= 612, 658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 MET HG+ 42 LEU HA 4.50 (# 236:20 Unique 3.69, 4.70 A)
&rst
ixpk= 236, nxpk= 20, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 680, 681,
&end
#
# 42 LEU HA 46 MET HG- 4.50 (# 2877:20 Unique 3.69, 4.70 A)
&rst
ixpk= 2877, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 680, 681,
&end
#
# 42 LEU HA 46 MET HN 4.50 (# 990:10 Unique 3.13, 3.30 A)
&rst
ixpk= 990, nxpk= 10, iat= 612, 673, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 LEU HB+ 42 LEU HN 2.80 (# 553:10 Unique 1.97, 2.79 A)
&rst
ixpk= 553, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 614, 615,
&end
#
# 43 ASP HA 42 LEU HB+ 5.50 (# 3014:20 Unique 4.08, 4.62 A)
&rst
ixpk= 3014, nxpk= 20, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 614, 615,
&end
#
# 43 ASP HB+ 42 LEU HB+ 4.50 (# 3016:20 Unique 4.75, 5.34 A)
&rst
ixpk= 3016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 633, 634,
igr2= 614, 615,
&end
#
# 42 LEU HB+ 43 ASP HN 2.80 (# 669:10 Unique 3.04, 3.24 A)
&rst
ixpk= 669, nxpk= 10, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 614, 615,
&end
#
# 46 MET HN 42 LEU HB+ 5.50 (# 3022:20 Unique 4.01, 4.99 A)
&rst
ixpk= 3022, nxpk= 20, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 614, 615,
&end
#
# 42 LEU HB+ 52 ILE QD1 3.50 (# 1132:20 Unique 2.21, 3.36 A)
&rst
ixpk= 1132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 614, 615,
igr2= 785, 786, 787,
&end
#
# 42 LEU HN 42 LEU HG 4.50 (# 1415:20 Unique 3.82, 4.03 A)
&rst
ixpk= 1415, nxpk= 20, iat= 610, 617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 MET HG- 42 LEU HG 5.50 (# 1416:20 Unique 3.17, 5.05 A)
&rst
ixpk= 1416, nxpk= 20, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 680, 681,
&end
#
# 42 LEU MDX 42 LEU HN 4.50 (# 555:10 Unique 2.42, 4.23 A)
&rst
ixpk= 555, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 42 LEU HN 42 LEU MDY 5.50 (# 2723:20 Unique 2.42, 4.23 A)
&rst
ixpk= 2723, nxpk= 20, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 45 GLU HN 42 LEU HN 5.50 (# 1297:10 Unique 4.52, 4.64 A)
&rst
ixpk= 1297, nxpk= 10, iat= 658, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 LEU MDX 46 MET HG+ 3.50 (# 2880:20 Unique 2.47, 5.04 A)
&rst
ixpk= 2880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 619, 620, 621, 623, 624, 625,
igr2= 680, 681,
&end
#
# 42 LEU MDX 46 MET HG- 3.50 (# 2881:20 Unique 2.47, 5.04 A)
&rst
ixpk= 2881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 619, 620, 621, 623, 624, 625,
igr2= 680, 681,
&end
#
# 42 LEU MDX 93 LYS HA 4.50 (# 141:20 Unique 2.46, 4.49 A)
&rst
ixpk= 141, nxpk= 20, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 42 LEU MDX 93 LYS HE+ 4.50 (# 1916:20 Unique 2.91, 5.66 A)
&rst
ixpk= 1916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 619, 620, 621, 623, 624, 625,
igr2=1414,1415,
&end
#
# 42 LEU MDX 93 LYS HE- 5.50 (# 1915:20 Unique 2.91, 5.66 A)
&rst
ixpk= 1915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 619, 620, 621, 623, 624, 625,
igr2=1414,1415,
&end
#
# 42 LEU MDX 97 GLN HA 3.50 (# 171:20 Unique 2.05, 3.72 A)
&rst
ixpk= 171, nxpk= 20, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 42 LEU MDX 97 GLN HB- 3.50 (# 1475:20 Unique 2.38, 4.01 A)
&rst
ixpk= 1475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 619, 620, 621, 623, 624, 625,
igr2=1471,1472,
&end
#
# 42 LEU MDX 97 GLN HG+ 3.50 (# 856:20 Unique 3.75, 5.36 A)
&rst
ixpk= 856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 619, 620, 621, 623, 624, 625,
igr2=1474,1475,
&end
#
# 42 LEU MDX 97 GLN HG- 3.50 (# 857:20 Unique 3.75, 5.36 A)
&rst
ixpk= 857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 619, 620, 621, 623, 624, 625,
igr2=1474,1475,
&end
#
# 42 LEU MDX 97 GLN HN 4.50 (# 699:10 Unique 2.52, 4.17 A)
&rst
ixpk= 699, nxpk= 10, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 42 LEU MDX 98 GLU HN 5.50 (# 1486:10 Unique 5.00, 6.23 A)
&rst
ixpk= 1486, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 46 MET HG- 42 LEU MDY 5.50 (# 2728:20 Unique 2.47, 5.04 A)
&rst
ixpk= 2728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 680, 681,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 42 LEU MDY 93 LYS HN 5.50 (# 523:10 Unique 5.19, 7.15 A)
&rst
ixpk= 523, nxpk= 10, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 619, 620, 621, 623, 624, 625,
&end
#
# 96 LEU HB- 42 LEU MDY 4.50 (# 2737:20 Unique 2.20, 4.30 A)
&rst
ixpk= 2737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1452,1453,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 97 GLN HA 42 LEU MDY 4.50 (# 2717:20 Unique 2.05, 3.72 A)
&rst
ixpk= 2717, nxpk= 20, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 97 GLN HG+ 42 LEU MDY 4.50 (# 2730:20 Unique 3.75, 5.36 A)
&rst
ixpk= 2730, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1474,1475,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 97 GLN HG- 42 LEU MDY 4.50 (# 2731:20 Unique 3.75, 5.36 A)
&rst
ixpk= 2731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1474,1475,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 97 GLN HN 42 LEU MDY 4.50 (# 2721:20 Unique 2.52, 4.17 A)
&rst
ixpk= 2721, nxpk= 20, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 43 ASP HB+ 43 ASP HA 2.80 (# 2115:20 Unique 2.38, 2.72 A)
&rst
ixpk= 2115, nxpk= 20, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 633, 634,
&end
#
# 43 ASP HB- 43 ASP HA 3.50 (# 2116:20 Unique 2.38, 2.72 A)
&rst
ixpk= 2116, nxpk= 20, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 633, 634,
&end
#
# 43 ASP HA 43 ASP HN 2.80 (# 663:10 Unique 2.81, 2.84 A)
&rst
ixpk= 663, nxpk= 10, iat= 631, 629, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 43 ASP HA 44 GLN HN 4.50 (# 836:10 Unique 3.52, 3.54 A)
&rst
ixpk= 836, nxpk= 10, iat= 631, 641, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 GLY HN 43 ASP HA 4.50 (# 2125:20 Unique 2.61, 2.87 A)
&rst
ixpk= 2125, nxpk= 20, iat= 690, 631, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 ILE HG1- 43 ASP HA 3.50 (# 2118:20 Unique 3.36, 4.26 A)
&rst
ixpk= 2118, nxpk= 20, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 782, 783,
&end
#
# 43 ASP HA 52 ILE QD1 3.50 (# 1126:20 Unique 2.55, 3.73 A)
&rst
ixpk= 1126, nxpk= 20, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 785, 786, 787,
&end
#
# 43 ASP HB+ 43 ASP HN 2.80 (# 667:10 Unique 2.33, 2.55 A)
&rst
ixpk= 667, nxpk= 10, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 633, 634,
&end
#
# 44 GLN HN 43 ASP HB+ 3.50 (# 1950:20 Unique 2.87, 3.50 A)
&rst
ixpk= 1950, nxpk= 20, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 633, 634,
&end
#
# 43 ASP HB+ 52 ILE QD1 3.50 (# 1129:20 Unique 2.39, 4.09 A)
&rst
ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 633, 634,
igr2= 785, 786, 787,
&end
#
# 43 ASP HB- 43 ASP HN 2.80 (# 666:10 Unique 2.33, 2.55 A)
&rst
ixpk= 666, nxpk= 10, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 633, 634,
&end
#
# 43 ASP HB- 44 GLN HN 2.80 (# 838:10 Unique 2.87, 3.50 A)
&rst
ixpk= 838, nxpk= 10, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 633, 634,
&end
#
# 43 ASP HB- 52 ILE QD1 3.50 (# 1128:20 Unique 2.39, 4.09 A)
&rst
ixpk= 1128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 633, 634,
igr2= 785, 786, 787,
&end
#
# 43 ASP HN 44 GLN HB- 4.50 (# 3166:20 Unique 4.67, 5.44 A)
&rst
ixpk= 3166, nxpk= 20, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 645, 646,
&end
#
# 43 ASP HN 44 GLN HN 2.80 (# 834:10 Unique 2.53, 2.59 A)
&rst
ixpk= 834, nxpk= 10, iat= 629, 641, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 45 GLU HN 43 ASP HN 5.50 (# 673:10 Unique 4.08, 4.19 A)
&rst
ixpk= 673, nxpk= 10, iat= 658, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ASP HN 52 ILE QD1 3.50 (# 1122:20 Unique 3.04, 3.53 A)
&rst
ixpk= 1122, nxpk= 20, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 785, 786, 787,
&end
#
# 44 GLN HA 44 GLN HB- 2.80 (# 3163:20 Unique 2.49, 2.79 A)
&rst
ixpk= 3163, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 645, 646,
&end
#
# 44 GLN HA 44 GLN HG+ 3.50 (# 873:20 Unique 2.55, 2.92 A)
&rst
ixpk= 873, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 648, 649,
&end
#
# 44 GLN HA 44 GLN HG- 3.50 (# 872:20 Unique 2.55, 2.92 A)
&rst
ixpk= 872, nxpk= 20, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 648, 649,
&end
#
# 44 GLN HA 44 GLN HN 2.80 (# 837:10 Unique 2.91, 2.91 A)
&rst
ixpk= 837, nxpk= 10, iat= 643, 641, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 GLN HA 45 GLU HN 3.50 (# 852:10 Unique 3.55, 3.57 A)
&rst
ixpk= 852, nxpk= 10, iat= 643, 658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 GLN HA 47 GLY HN 5.50 (# 1188:10 Unique 4.16, 4.32 A)
&rst
ixpk= 1188, nxpk= 10, iat= 643, 690, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 GLN HB+ 44 GLN HN 2.80 (# 840:10 Unique 2.28, 2.96 A)
&rst
ixpk= 840, nxpk= 10, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 645, 646,
&end
#
# 44 GLN HG- 44 GLN HB- 2.80 (# 3167:20 Unique 2.23, 2.71 A)
&rst
ixpk= 3167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 648, 649,
igr2= 645, 646,
&end
#
# 44 GLN HN 44 GLN HB- 2.80 (# 3164:20 Unique 2.28, 2.96 A)
&rst
ixpk= 3164, nxpk= 20, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 645, 646,
&end
#
# 45 GLU HN 44 GLN HB- 3.50 (# 3165:20 Unique 2.63, 3.20 A)
&rst
ixpk= 3165, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 645, 646,
&end
#
# 44 GLN HE2+ 44 GLN HG+ 5.50 (# 866:20 Unique 2.21, 3.37 A)
&rst
ixpk= 866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 653, 654,
igr2= 648, 649,
&end
#
# 44 GLN HE2+ 44 GLN HG- 5.50 (# 867:20 Unique 2.21, 3.37 A)
&rst
ixpk= 867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 653, 654,
igr2= 648, 649,
&end
#
# 44 GLN HG+ 44 GLN HN 2.80 (# 839:10 Unique 2.57, 3.35 A)
&rst
ixpk= 839, nxpk= 10, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 648, 649,
&end
#
# 44 GLN HN 44 GLN HG- 3.50 (# 861:20 Unique 2.57, 3.35 A)
&rst
ixpk= 861, nxpk= 20, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 648, 649,
&end
#
# 45 GLU HB+ 44 GLN HN 4.50 (# 841:10 Unique 4.35, 5.12 A)
&rst
ixpk= 841, nxpk= 10, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 662, 663,
&end
#
# 44 GLN HN 45 GLU HN 2.80 (# 850:10 Unique 2.47, 2.52 A)
&rst
ixpk= 850, nxpk= 10, iat= 641, 658, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 GLN HN 46 MET HN 5.50 (# 988:10 Unique 4.10, 4.22 A)
&rst
ixpk= 988, nxpk= 10, iat= 641, 673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 GLN HN 47 GLY HN 5.50 (# 1531:10 Unique 4.17, 4.37 A)
&rst
ixpk= 1531, nxpk= 10, iat= 641, 690, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 GLU HA 45 GLU HB+ 2.80 (# 2822:20 Unique 2.45, 2.79 A)
&rst
ixpk= 2822, nxpk= 20, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 662, 663,
&end
#
# 45 GLU HA 45 GLU HG+ 3.50 (# 1698:20 Unique 2.72, 3.42 A)
&rst
ixpk= 1698, nxpk= 20, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 665, 666,
&end
#
# 45 GLU HA 45 GLU HG- 3.50 (# 1699:20 Unique 2.72, 3.42 A)
&rst
ixpk= 1699, nxpk= 20, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 665, 666,
&end
#
# 45 GLU HA 45 GLU HN 2.90 (# 851:10 Unique 2.81, 2.85 A)
&rst
ixpk= 851, nxpk= 10, iat= 660, 658, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 45 GLU HG+ 45 GLU HB+ 2.80 (# 2824:20 Unique 2.25, 2.58 A)
&rst
ixpk= 2824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 665, 666,
igr2= 662, 663,
&end
#
# 45 GLU HG- 45 GLU HB+ 2.80 (# 2825:20 Unique 2.25, 2.58 A)
&rst
ixpk= 2825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 665, 666,
igr2= 662, 663,
&end
#
# 45 GLU HB+ 45 GLU HN 2.80 (# 856:10 Unique 2.13, 2.81 A)
&rst
ixpk= 856, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 662, 663,
&end
#
# 45 GLU HB+ 46 MET HN 2.80 (# 994:10 Unique 2.42, 3.02 A)
&rst
ixpk= 994, nxpk= 10, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 662, 663,
&end
#
# 45 GLU HG+ 45 GLU HN 4.00 (# 854:10 Unique 2.41, 3.38 A)
&rst
ixpk= 854, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 665, 666,
&end
#
# 46 MET HN 45 GLU HG+ 5.50 (# 1696:20 Unique 3.57, 4.52 A)
&rst
ixpk= 1696, nxpk= 20, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 665, 666,
&end
#
# 45 GLU HN 45 GLU HG- 4.50 (# 1695:20 Unique 2.41, 3.38 A)
&rst
ixpk= 1695, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 665, 666,
&end
#
# 46 MET HN 45 GLU HG- 5.50 (# 1697:20 Unique 3.57, 4.52 A)
&rst
ixpk= 1697, nxpk= 20, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 665, 666,
&end
#
# 45 GLU HN 46 MET HN 2.80 (# 987:10 Unique 2.53, 2.70 A)
&rst
ixpk= 987, nxpk= 10, iat= 658, 673, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 45 GLU HN 47 GLY HN 4.50 (# 1190:10 Unique 3.67, 3.89 A)
&rst
ixpk= 1190, nxpk= 10, iat= 658, 690, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 93 LYS+ QG 45 GLU- QB 7.00 (# 1:50)
&rst
ixpk= 1, nxpk= 50, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1408,1409,
igr2= 662, 663,
&end
#
# 46 MET HA 46 MET HG+ 4.50 (# 2875:20 Unique 3.24, 3.59 A)
&rst
ixpk= 2875, nxpk= 20, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 680, 681,
&end
#
# 46 MET HA 46 MET HG- 4.50 (# 2874:20 Unique 3.24, 3.59 A)
&rst
ixpk= 2874, nxpk= 20, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 680, 681,
&end
#
# 46 MET HA 46 MET HN 3.50 (# 995:10 Unique 2.98, 2.99 A)
&rst
ixpk= 995, nxpk= 10, iat= 675, 673, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 MET HA 46 MET ME 4.50 (# 2430:20 Unique 4.12, 5.09 A)
&rst
ixpk= 2430, nxpk= 20, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 684, 685, 686,
&end
#
# 46 MET HA 47 GLY HN 3.50 (# 1191:10 Unique 3.27, 3.35 A)
&rst
ixpk= 1191, nxpk= 10, iat= 675, 690, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 MET HA 48 ASP HN 4.50 (# 719:10 Unique 3.24, 3.75 A)
&rst
ixpk= 719, nxpk= 10, iat= 675, 697, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 MET HA 49 LYS HN 5.50 (# 741:10 Unique 3.27, 3.56 A)
&rst
ixpk= 741, nxpk= 10, iat= 675, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 MET HB+ 50 LEU HN 4.50 (# 641:10 Unique 3.83, 4.80 A)
&rst
ixpk= 641, nxpk= 10, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 677, 678,
&end
#
# 46 MET HB- 46 MET HN 2.80 (# 993:10 Unique 2.58, 3.19 A)
&rst
ixpk= 993, nxpk= 10, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 677, 678,
&end
#
# 46 MET HB- 47 GLY HN 4.50 (# 1192:10 Unique 3.23, 3.92 A)
&rst
ixpk= 1192, nxpk= 10, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 677, 678,
&end
#
# 46 MET HG+ 46 MET HN 3.50 (# 991:10 Unique 2.90, 3.65 A)
&rst
ixpk= 991, nxpk= 10, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 680, 681,
&end
#
# 46 MET HG- 46 MET HN 3.50 (# 992:10 Unique 2.90, 3.65 A)
&rst
ixpk= 992, nxpk= 10, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 680, 681,
&end
#
# 46 MET HG- 50 LEU HB+ 5.50 (# 2915:20 Unique 4.78, 6.45 A)
&rst
ixpk= 2915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 680, 681,
igr2= 735, 736,
&end
#
# 46 MET HG- 50 LEU HB- 5.50 (# 2916:20 Unique 4.78, 6.45 A)
&rst
ixpk= 2916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 680, 681,
igr2= 735, 736,
&end
#
# 46 MET HG- 50 LEU MDY 4.50 (# 3102:20 Unique 3.81, 6.02 A)
&rst
ixpk= 3102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 680, 681,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 47 GLY HA+ 46 MET HN 5.50 (# 1504:10 Unique 4.16, 4.43 A)
&rst
ixpk= 1504, nxpk= 10, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 692, 693,
&end
#
# 46 MET HN 47 GLY HN 2.80 (# 1189:10 Unique 1.98, 2.13 A)
&rst
ixpk= 1189, nxpk= 10, iat= 673, 690, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 49 LYS HE+ 46 MET ME 4.50 (# 2426:20 Unique 4.17, 6.13 A)
&rst
ixpk= 2426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 722, 723,
igr2= 684, 685, 686,
&end
#
# 97 GLN HA 46 MET ME 3.50 (# 2428:20 Unique 3.66, 4.53 A)
&rst
ixpk= 2428, nxpk= 20, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 684, 685, 686,
&end
#
# 97 GLN HE2- 46 MET ME 5.50 (# 2432:20 Unique 4.89, 5.98 A)
&rst
ixpk= 2432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1479,1480,
igr2= 684, 685, 686,
&end
#
# 47 GLY HA+ 47 GLY HN 2.80 (# 1187:10 Unique 2.28, 2.60 A)
&rst
ixpk= 1187, nxpk= 10, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 692, 693,
&end
#
# 48 ASP HA 47 GLY HA+ 5.50 (# 2023:20 Unique 4.31, 4.61 A)
&rst
ixpk= 2023, nxpk= 20, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 692, 693,
&end
#
# 48 ASP HB+ 47 GLY HA+ 5.50 (# 2024:20 Unique 4.83, 5.17 A)
&rst
ixpk= 2024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 701, 702,
igr2= 692, 693,
&end
#
# 47 GLY HA+ 48 ASP HN 2.80 (# 728:10 Unique 2.39, 3.03 A)
&rst
ixpk= 728, nxpk= 10, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 692, 693,
&end
#
# 49 LYS HN 47 GLY HA+ 4.50 (# 2015:20 Unique 3.33, 4.63 A)
&rst
ixpk= 2015, nxpk= 20, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 692, 693,
&end
#
# 50 LEU HB+ 47 GLY HA+ 5.50 (# 2029:20 Unique 3.19, 5.61 A)
&rst
ixpk= 2029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 735, 736,
igr2= 692, 693,
&end
#
# 50 LEU HN 47 GLY HA+ 4.50 (# 2017:20 Unique 2.82, 4.03 A)
&rst
ixpk= 2017, nxpk= 20, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 692, 693,
&end
#
# 47 GLY HA- 47 GLY HN 2.80 (# 1186:10 Unique 2.28, 2.60 A)
&rst
ixpk= 1186, nxpk= 10, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 692, 693,
&end
#
# 47 GLY HA- 48 ASP HA 5.50 (# 2282:20 Unique 4.31, 4.61 A)
&rst
ixpk= 2282, nxpk= 20, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 692, 693,
&end
#
# 47 GLY HA- 48 ASP HN 3.50 (# 721:10 Unique 2.39, 3.03 A)
&rst
ixpk= 721, nxpk= 10, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 692, 693,
&end
#
# 49 LYS HN 47 GLY HA- 4.50 (# 2014:20 Unique 3.33, 4.63 A)
&rst
ixpk= 2014, nxpk= 20, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 692, 693,
&end
#
# 50 LEU HB+ 47 GLY HA- 5.50 (# 2028:20 Unique 3.19, 5.61 A)
&rst
ixpk= 2028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 735, 736,
igr2= 692, 693,
&end
#
# 47 GLY HA- 50 LEU HN 4.50 (# 640:10 Unique 2.82, 4.03 A)
&rst
ixpk= 640, nxpk= 10, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 692, 693,
&end
#
# 47 GLY HN 48 ASP HN 3.50 (# 716:10 Unique 3.10, 3.41 A)
&rst
ixpk= 716, nxpk= 10, iat= 690, 697, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HN 47 GLY HN 5.50 (# 1532:10 Unique 4.50, 4.63 A)
&rst
ixpk= 1532, nxpk= 10, iat= 709, 690, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 ASP HB+ 48 ASP HA 2.80 (# 2283:20 Unique 2.39, 2.74 A)
&rst
ixpk= 2283, nxpk= 20, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 701, 702,
&end
#
# 48 ASP HA 48 ASP HN 2.80 (# 720:10 Unique 2.86, 2.90 A)
&rst
ixpk= 720, nxpk= 10, iat= 699, 697, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 48 ASP HA 49 LYS HN 4.50 (# 737:10 Unique 3.44, 3.60 A)
&rst
ixpk= 737, nxpk= 10, iat= 699, 709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 LEU HN 48 ASP HA 4.50 (# 2281:20 Unique 3.63, 4.03 A)
&rst
ixpk= 2281, nxpk= 20, iat= 731, 699, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 ASP HB+ 48 ASP HN 2.80 (# 722:10 Unique 2.33, 3.17 A)
&rst
ixpk= 722, nxpk= 10, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 701, 702,
&end
#
# 49 LYS HB+ 48 ASP HB+ 4.50 (# 1898:20 Unique 4.33, 5.99 A)
&rst
ixpk= 1898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 713, 714,
igr2= 701, 702,
&end
#
# 49 LYS HG+ 48 ASP HB+ 5.50 (# 1899:20 Unique 2.51, 5.06 A)
&rst
ixpk= 1899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 716, 717,
igr2= 701, 702,
&end
#
# 48 ASP HB+ 49 LYS HN 4.50 (# 733:10 Unique 2.67, 3.43 A)
&rst
ixpk= 733, nxpk= 10, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 701, 702,
&end
#
# 49 LYS HG+ 48 ASP HN 4.50 (# 723:10 Unique 3.19, 4.98 A)
&rst
ixpk= 723, nxpk= 10, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 716, 717,
&end
#
# 48 ASP HN 49 LYS HN 2.80 (# 731:10 Unique 1.72, 1.77 A)
&rst
ixpk= 731, nxpk= 10, iat= 697, 709, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 LEU HN 48 ASP HN 3.50 (# 718:10 Unique 2.04, 2.27 A)
&rst
ixpk= 718, nxpk= 10, iat= 731, 697, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HB+ 49 LYS HA 3.50 (# 2109:20 Unique 2.39, 2.78 A)
&rst
ixpk= 2109, nxpk= 20, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 713, 714,
&end
#
# 49 LYS HB- 49 LYS HA 3.50 (# 2108:20 Unique 2.39, 2.78 A)
&rst
ixpk= 2108, nxpk= 20, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 713, 714,
&end
#
# 49 LYS HA 49 LYS HG+ 3.50 (# 2706:20 Unique 2.46, 2.75 A)
&rst
ixpk= 2706, nxpk= 20, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 716, 717,
&end
#
# 49 LYS HA 49 LYS HN 2.80 (# 738:10 Unique 2.87, 2.93 A)
&rst
ixpk= 738, nxpk= 10, iat= 711, 709, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 49 LYS HA 50 LEU HN 3.50 (# 646:10 Unique 3.22, 3.38 A)
&rst
ixpk= 646, nxpk= 10, iat= 711, 731, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HE+ 49 LYS HB+ 4.50 (# 1751:20 Unique 2.13, 3.66 A)
&rst
ixpk= 1751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 722, 723,
igr2= 713, 714,
&end
#
# 49 LYS HB+ 49 LYS HN 2.80 (# 739:10 Unique 2.25, 2.97 A)
&rst
ixpk= 739, nxpk= 10, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 713, 714,
&end
#
# 49 LYS HB- 49 LYS HE+ 4.50 (# 1940:20 Unique 2.13, 3.66 A)
&rst
ixpk= 1940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 713, 714,
igr2= 722, 723,
&end
#
# 49 LYS HB- 49 LYS HG+ 2.80 (# 2710:20 Unique 2.24, 2.76 A)
&rst
ixpk= 2710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 713, 714,
igr2= 716, 717,
&end
#
# 49 LYS HB- 49 LYS HN 3.50 (# 734:10 Unique 2.25, 2.97 A)
&rst
ixpk= 734, nxpk= 10, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 713, 714,
&end
#
# 49 LYS HB- 50 LEU HN 4.20 (# 627:10 Unique 2.82, 3.78 A)
&rst
ixpk= 627, nxpk= 10, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 713, 714,
&end
#
# 49 LYS HE+ 49 LYS HD+ 2.80 (# 1528:20 Unique 2.35, 2.70 A)
&rst
ixpk= 1528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 722, 723,
igr2= 719, 720,
&end
#
# 49 LYS HN 49 LYS HD+ 4.50 (# 1532:20 Unique 1.91, 4.59 A)
&rst
ixpk= 1532, nxpk= 20, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 719, 720,
&end
#
# 49 LYS HG+ 49 LYS HN 2.80 (# 735:10 Unique 2.37, 3.35 A)
&rst
ixpk= 735, nxpk= 10, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 716, 717,
&end
#
# 49 LYS HG+ 50 LEU HN 4.50 (# 647:10 Unique 4.40, 5.00 A)
&rst
ixpk= 647, nxpk= 10, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 716, 717,
&end
#
# 49 LYS HN 50 LEU HB+ 5.50 (# 2919:20 Unique 3.53, 4.85 A)
&rst
ixpk= 2919, nxpk= 20, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 735, 736,
&end
#
# 50 LEU HB- 49 LYS HN 5.50 (# 1473:10 Unique 3.53, 4.85 A)
&rst
ixpk= 1473, nxpk= 10, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 735, 736,
&end
#
# 50 LEU HN 49 LYS HN 2.80 (# 736:10 Unique 1.98, 2.29 A)
&rst
ixpk= 736, nxpk= 10, iat= 731, 709, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 LYS HE+ 5 LYS HB+ 5.50 (# 1651:20 Unique 2.13, 4.05 A)
&rst
ixpk= 1651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 79, 80,
igr2= 70, 71,
&end
#
# 5 LYS HG- 5 LYS HB+ 2.80 (# 1652:20 Unique 2.19, 2.62 A)
&rst
ixpk= 1652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 73, 74,
igr2= 70, 71,
&end
#
# 5 LYS HB+ 5 LYS HN 3.00 (# 169:10 Unique 2.51, 3.26 A)
&rst
ixpk= 169, nxpk= 10, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 70, 71,
&end
#
# 5 LYS HB+ 6 ALA HN 3.50 (# 146:10 Unique 2.81, 3.68 A)
&rst
ixpk= 146, nxpk= 10, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 70, 71,
&end
#
# 53 VAL HA 5 LYS HE- 5.50 (# 1935:20 Unique 5.33, 6.36 A)
&rst
ixpk= 1935, nxpk= 20, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 79, 80,
&end
#
# 5 LYS HN 5 LYS HG+ 4.50 (# 1553:20 Unique 3.54, 4.34 A)
&rst
ixpk= 1553, nxpk= 20, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 73, 74,
&end
#
# 6 ALA HN 5 LYS HG+ 4.50 (# 1554:20 Unique 3.11, 4.55 A)
&rst
ixpk= 1554, nxpk= 20, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 73, 74,
&end
#
# 5 LYS HN 5 LYS HG- 5.50 (# 1555:20 Unique 3.54, 4.34 A)
&rst
ixpk= 1555, nxpk= 20, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 73, 74,
&end
#
# 6 ALA HN 5 LYS HG- 4.50 (# 1556:20 Unique 3.11, 4.55 A)
&rst
ixpk= 1556, nxpk= 20, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 73, 74,
&end
#
# 5 LYS HN 6 ALA HN 4.50 (# 1269:10 Unique 4.24, 4.35 A)
&rst
ixpk= 1269, nxpk= 10, iat= 66, 88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 LEU HB+ 50 LEU HA 3.50 (# 2321:20 Unique 2.21, 2.55 A)
&rst
ixpk= 2321, nxpk= 20, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 735, 736,
&end
#
# 50 LEU HA 50 LEU HB- 3.50 (# 2773:20 Unique 2.21, 2.55 A)
&rst
ixpk= 2773, nxpk= 20, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 735, 736,
&end
#
# 50 LEU HG 50 LEU HA 4.50 (# 2318:20 Unique 3.22, 3.49 A)
&rst
ixpk= 2318, nxpk= 20, iat= 738, 733, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 LEU HA 50 LEU HN 2.80 (# 639:10 Unique 2.88, 2.91 A)
&rst
ixpk= 639, nxpk= 10, iat= 733, 731, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 LEU HA 50 LEU MDX 3.50 (# 2677:20 Unique 2.74, 4.65 A)
&rst
ixpk= 2677, nxpk= 20, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 50 LEU HA 50 LEU MDY 4.50 (# 3108:20 Unique 2.74, 4.65 A)
&rst
ixpk= 3108, nxpk= 20, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 50 LEU HA 51 LYS HB+ 4.50 (# 1753:20 Unique 4.29, 4.98 A)
&rst
ixpk= 1753, nxpk= 20, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 754, 755,
&end
#
# 50 LEU HA 51 LYS HN 2.80 (# 196:10 Unique 2.27, 2.41 A)
&rst
ixpk= 196, nxpk= 10, iat= 733, 750, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 LEU HG 50 LEU HB+ 3.50 (# 2913:20 Unique 2.46, 2.81 A)
&rst
ixpk= 2913, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 735, 736,
&end
#
# 50 LEU HB+ 50 LEU HN 2.80 (# 642:10 Unique 2.56, 3.25 A)
&rst
ixpk= 642, nxpk= 10, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 735, 736,
&end
#
# 50 LEU HG 50 LEU HB- 3.50 (# 2776:20 Unique 2.46, 2.81 A)
&rst
ixpk= 2776, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 735, 736,
&end
#
# 50 LEU HB- 50 LEU HN 3.50 (# 644:10 Unique 2.56, 3.25 A)
&rst
ixpk= 644, nxpk= 10, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 735, 736,
&end
#
# 50 LEU HB- 50 LEU MDY 3.50 (# 3107:20 Unique 2.31, 3.28 A)
&rst
ixpk= 3107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 735, 736,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 50 LEU HG 50 LEU HN 4.50 (# 643:10 Unique 3.65, 4.09 A)
&rst
ixpk= 643, nxpk= 10, iat= 738, 731, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 LEU HG 50 LEU MDX 2.80 (# 2679:20 Unique 2.29, 2.63 A)
&rst
ixpk= 2679, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 50 LEU HG 50 LEU MDY 3.50 (# 3106:20 Unique 2.29, 2.63 A)
&rst
ixpk= 3106, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 50 LEU HG 51 LYS HN 3.50 (# 198:10 Unique 2.26, 2.68 A)
&rst
ixpk= 198, nxpk= 10, iat= 738, 750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 LEU HG 52 ILE QD1 4.50 (# 1133:20 Unique 4.37, 5.43 A)
&rst
ixpk= 1133, nxpk= 20, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 785, 786, 787,
&end
#
# 50 LEU HN 50 LEU MDY 4.50 (# 3109:20 Unique 2.35, 4.76 A)
&rst
ixpk= 3109, nxpk= 20, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 50 LEU MDX 51 LYS HN 3.50 (# 200:10 Unique 2.02, 4.42 A)
&rst
ixpk= 200, nxpk= 10, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 740, 741, 742, 744, 745, 746,
&end
#
# 51 LYS HA 51 LYS HB+ 3.50 (# 1752:20 Unique 2.38, 2.69 A)
&rst
ixpk= 1752, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 754, 755,
&end
#
# 51 LYS HA 51 LYS HD+ 4.50 (# 1585:20 Unique 4.27, 4.65 A)
&rst
ixpk= 1585, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 760, 761,
&end
#
# 51 LYS HA 51 LYS HG- 3.50 (# 1576:20 Unique 2.47, 3.15 A)
&rst
ixpk= 1576, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 757, 758,
&end
#
# 51 LYS HA 51 LYS HN 3.50 (# 195:10 Unique 2.94, 2.98 A)
&rst
ixpk= 195, nxpk= 10, iat= 752, 750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 LYS HA 52 ILE HB 5.50 (# 1800:20 Unique 4.49, 4.74 A)
&rst
ixpk= 1800, nxpk= 20, iat= 752, 776, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 LYS HA 52 ILE HN 2.80 (# 112:10 Unique 2.32, 2.35 A)
&rst
ixpk= 112, nxpk= 10, iat= 752, 772, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 51 LYS HE+ 51 LYS HB+ 4.50 (# 1757:20 Unique 2.15, 3.31 A)
&rst
ixpk= 1757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 763, 764,
igr2= 754, 755,
&end
#
# 51 LYS HB+ 51 LYS HE- 3.50 (# 1919:20 Unique 2.15, 3.31 A)
&rst
ixpk= 1919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 754, 755,
igr2= 763, 764,
&end
#
# 51 LYS HG+ 51 LYS HB+ 2.80 (# 1759:20 Unique 2.33, 2.74 A)
&rst
ixpk= 1759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 757, 758,
igr2= 754, 755,
&end
#
# 51 LYS HB+ 51 LYS HN 2.80 (# 197:10 Unique 2.23, 3.08 A)
&rst
ixpk= 197, nxpk= 10, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 754, 755,
&end
#
# 53 VAL MGY 51 LYS HB+ 4.50 (# 1762:20 Unique 3.04, 6.70 A)
&rst
ixpk= 1762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 797, 798, 799, 801, 802, 803,
igr2= 754, 755,
&end
#
# 51 LYS HE+ 51 LYS HD+ 3.50 (# 1587:20 Unique 2.39, 2.76 A)
&rst
ixpk= 1587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 763, 764,
igr2= 760, 761,
&end
#
# 51 LYS HE- 51 LYS HD+ 3.50 (# 1588:20 Unique 2.39, 2.76 A)
&rst
ixpk= 1588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 763, 764,
igr2= 760, 761,
&end
#
# 51 LYS HD+ 53 VAL MGY 3.50 (# 2499:20 Unique 3.05, 6.66 A)
&rst
ixpk= 2499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 760, 761,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 53 VAL MGY 51 LYS HE+ 4.50 (# 1929:20 Unique 2.63, 6.06 A)
&rst
ixpk= 1929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 797, 798, 799, 801, 802, 803,
igr2= 763, 764,
&end
#
# 51 LYS HE- 51 LYS HG- 4.50 (# 1577:20 Unique 2.35, 3.18 A)
&rst
ixpk= 1577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 763, 764,
igr2= 757, 758,
&end
#
# 51 LYS HE- 53 VAL MGY 4.50 (# 2492:20 Unique 2.63, 6.06 A)
&rst
ixpk= 2492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 763, 764,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 51 LYS HG+ 52 ILE HN 4.50 (# 115:10 Unique 2.91, 4.36 A)
&rst
ixpk= 115, nxpk= 10, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 757, 758,
&end
#
# 51 LYS HN 51 LYS HG- 5.50 (# 1575:20 Unique 2.43, 3.66 A)
&rst
ixpk= 1575, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 757, 758,
&end
#
# 51 LYS HG- 52 ILE HN 4.50 (# 114:10 Unique 2.91, 4.36 A)
&rst
ixpk= 114, nxpk= 10, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 757, 758,
&end
#
# 53 VAL MGY 51 LYS HG- 3.50 (# 1579:20 Unique 2.50, 6.84 A)
&rst
ixpk= 1579, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 797, 798, 799, 801, 802, 803,
igr2= 757, 758,
&end
#
# 51 LYS HN 52 ILE HN 5.50 (# 1266:10 Unique 4.25, 4.38 A)
&rst
ixpk= 1266, nxpk= 10, iat= 750, 772, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 ILE HA 52 ILE HB 4.50 (# 1801:20 Unique 3.02, 3.03 A)
&rst
ixpk= 1801, nxpk= 20, iat= 774, 776, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 ILE HA 52 ILE HG1+ 4.50 (# 3062:20 Unique 2.23, 2.73 A)
&rst
ixpk= 3062, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 782, 783,
&end
#
# 52 ILE HA 52 ILE HG1- 4.50 (# 1452:20 Unique 2.23, 2.73 A)
&rst
ixpk= 1452, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 782, 783,
&end
#
# 52 ILE HA 52 ILE QD1 4.50 (# 1124:20 Unique 4.21, 4.55 A)
&rst
ixpk= 1124, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 785, 786, 787,
&end
#
# 52 ILE HA 52 ILE QG2 3.50 (# 1146:20 Unique 2.45, 3.14 A)
&rst
ixpk= 1146, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 778, 779, 780,
&end
#
# 53 VAL HB 52 ILE HA 5.50 (# 461:20 Unique 4.25, 4.41 A)
&rst
ixpk= 461, nxpk= 20, iat= 795, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 VAL MGY 52 ILE HA 4.50 (# 463:20 Unique 4.52, 6.09 A)
&rst
ixpk= 463, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 52 ILE HB 52 ILE HN 2.80 (# 113:10 Unique 2.34, 2.45 A)
&rst
ixpk= 113, nxpk= 10, iat= 776, 772, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 52 ILE QD1 52 ILE HB 3.5 (# 1:1131:20)
&rst
ixpk= 1, nxpk= 1131, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 785, 786, 787,
&end
#
# 52 ILE HB 52 ILE QG2 2.80 (# 1156:20 Unique 2.43, 2.67 A)
&rst
ixpk= 1156, nxpk= 20, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 778, 779, 780,
&end
#
# 52 ILE HN 52 ILE HG1+ 4.50 (# 3061:20 Unique 2.35, 3.10 A)
&rst
ixpk= 3061, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 782, 783,
&end
#
# 52 ILE HN 52 ILE HG1- 3.50 (# 1449:20 Unique 2.35, 3.10 A)
&rst
ixpk= 1449, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 782, 783,
&end
#
# 53 VAL MGY 52 ILE HN 5.50 (# 1264:10 Unique 4.83, 7.15 A)
&rst
ixpk= 1264, nxpk= 10, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 52 ILE QD1 52 ILE QG1 3.5 (# 2:1131:20)
&rst
ixpk= 2, nxpk= 1131, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 785, 786, 787,
igr2= 782, 783,
&end
#
# 53 VAL HB 52 ILE QG2 5.50 (# 1157:20 Unique 5.02, 5.78 A)
&rst
ixpk= 1157, nxpk= 20, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 778, 779, 780,
&end
#
# 54 LYS HE+ 52 ILE QG2 3.50 (# 1154:20 Unique 3.31, 5.19 A)
&rst
ixpk= 1154, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 820, 821,
igr2= 778, 779, 780,
&end
#
# 53 VAL HA 53 VAL HB 3.50 (# 2902:20 Unique 2.89, 2.92 A)
&rst
ixpk= 2902, nxpk= 20, iat= 793, 795, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 VAL MGY 53 VAL HA 2.80 (# 470:20 Unique 2.29, 3.14 A)
&rst
ixpk= 470, nxpk= 20, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 53 VAL HA 54 LYS HN 2.80 (# 230:10 Unique 2.27, 2.35 A)
&rst
ixpk= 230, nxpk= 10, iat= 793, 807, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 53 VAL HB 53 VAL HN 2.80 (# 209:10 Unique 2.25, 2.47 A)
&rst
ixpk= 209, nxpk= 10, iat= 795, 791, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 53 VAL MGY 53 VAL HB 2.80 (# 2905:20 Unique 2.39, 2.67 A)
&rst
ixpk= 2905, nxpk= 20, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 53 VAL HB 6 ALA HN 5.50 (# 1270:10 Unique 5.60, 5.68 A)
&rst
ixpk= 1270, nxpk= 10, iat= 795, 88, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 VAL MGY 54 LYS HN 3.50 (# 232:10 Unique 2.54, 4.00 A)
&rst
ixpk= 232, nxpk= 10, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 53 VAL MGY 55 ILE HN 5.50 (# 423:10 Unique 4.08, 6.41 A)
&rst
ixpk= 423, nxpk= 10, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 53 VAL MGY 6 ALA HN 4.50 (# 149:10 Unique 2.59, 4.39 A)
&rst
ixpk= 149, nxpk= 10, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 53 VAL MGY 6 ALA MB 3.50 (# 2449:20 Unique 2.22, 4.02 A)
&rst
ixpk= 2449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 797, 798, 799, 801, 802, 803,
igr2= 92, 93, 94,
&end
#
# 53 VAL MGY 7 THR HN 5.50 (# 1437:10 Unique 5.60, 6.73 A)
&rst
ixpk= 1437, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 797, 798, 799, 801, 802, 803,
&end
#
# 54 LYS HA 54 LYS HB+ 3.50 (# 1714:20 Unique 2.60, 2.86 A)
&rst
ixpk= 1714, nxpk= 20, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 811, 812,
&end
#
# 54 LYS HA 54 LYS HB- 3.50 (# 1722:20 Unique 2.60, 2.86 A)
&rst
ixpk= 1722, nxpk= 20, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 811, 812,
&end
#
# 54 LYS HA 54 LYS HD- 5.50 (# 3048:20 Unique 2.22, 2.74 A)
&rst
ixpk= 3048, nxpk= 20, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 817, 818,
&end
#
# 54 LYS HG+ 54 LYS HA 3.50 (# 497:20 Unique 2.47, 3.21 A)
&rst
ixpk= 497, nxpk= 20, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 814, 815,
&end
#
# 54 LYS HA 54 LYS HG- 4.50 (# 1580:20 Unique 2.47, 3.21 A)
&rst
ixpk= 1580, nxpk= 20, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 814, 815,
&end
#
# 54 LYS HN 54 LYS HA 3.50 (# 491:20 Unique 2.96, 2.99 A)
&rst
ixpk= 491, nxpk= 20, iat= 807, 809, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 ILE HN 54 LYS HA 3.50 (# 490:20 Unique 2.23, 2.27 A)
&rst
ixpk= 490, nxpk= 20, iat= 829, 809, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 LYS HE+ 54 LYS HB+ 3.50 (# 1724:20 Unique 3.95, 4.60 A)
&rst
ixpk= 1724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 820, 821,
igr2= 811, 812,
&end
#
# 54 LYS HG+ 54 LYS HB+ 3.50 (# 1725:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 814, 815,
igr2= 811, 812,
&end
#
# 54 LYS HG- 54 LYS HB+ 3.50 (# 1726:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 814, 815,
igr2= 811, 812,
&end
#
# 54 LYS HB+ 54 LYS HN 2.80 (# 235:10 Unique 2.12, 2.86 A)
&rst
ixpk= 235, nxpk= 10, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 811, 812,
&end
#
# 55 ILE HN 54 LYS HB+ 4.50 (# 1716:20 Unique 3.16, 3.86 A)
&rst
ixpk= 1716, nxpk= 20, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 811, 812,
&end
#
# 54 LYS HG- 54 LYS HB- 3.50 (# 1727:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 814, 815,
igr2= 811, 812,
&end
#
# 54 LYS HB- 54 LYS HN 3.50 (# 234:10 Unique 2.12, 2.86 A)
&rst
ixpk= 234, nxpk= 10, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 811, 812,
&end
#
# 54 LYS HB- 55 ILE HN 4.50 (# 401:10 Unique 3.16, 3.86 A)
&rst
ixpk= 401, nxpk= 10, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 811, 812,
&end
#
# 54 LYS HE+ 54 LYS HD+ 3.50 (# 3054:20 Unique 2.35, 2.71 A)
&rst
ixpk= 3054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 820, 821,
igr2= 817, 818,
&end
#
# 54 LYS HE+ 54 LYS HD- 3.50 (# 3053:20 Unique 2.35, 2.71 A)
&rst
ixpk= 3053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 820, 821,
igr2= 817, 818,
&end
#
# 54 LYS HE+ 54 LYS HG+ 3.50 (# 2701:20 Unique 2.18, 2.94 A)
&rst
ixpk= 2701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 820, 821,
igr2= 814, 815,
&end
#
# 54 LYS HG- 54 LYS HE+ 3.50 (# 1860:20 Unique 2.18, 2.94 A)
&rst
ixpk= 1860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 814, 815,
igr2= 820, 821,
&end
#
# 55 ILE HA 55 ILE HB 3.50 (# 1031:20 Unique 2.32, 2.34 A)
&rst
ixpk= 1031, nxpk= 20, iat= 831, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 ILE HA 55 ILE HN 4.50 (# 400:10 Unique 2.93, 2.94 A)
&rst
ixpk= 400, nxpk= 10, iat= 831, 829, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 ILE HA 56 ASP HN 2.80 (# 86:10 Unique 2.11, 2.16 A)
&rst
ixpk= 86, nxpk= 10, iat= 831, 848, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 55 ILE HG1+ 55 ILE HB 3.50 (# 1029:20 Unique 2.53, 2.79 A)
&rst
ixpk= 1029, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 839, 840,
&end
#
# 55 ILE HG1- 55 ILE HB 3.50 (# 1030:20 Unique 2.53, 2.79 A)
&rst
ixpk= 1030, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 839, 840,
&end
#
# 55 ILE HN 55 ILE HB 4.50 (# 1037:20 Unique 3.40, 3.47 A)
&rst
ixpk= 1037, nxpk= 20, iat= 829, 833, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 ILE QD1 55 ILE HB 3.50 (# 1028:20 Unique 2.48, 3.06 A)
&rst
ixpk= 1028, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 842, 843, 844,
&end
#
# 55 ILE QG2 55 ILE HB 3.50 (# 1027:20 Unique 2.41, 2.64 A)
&rst
ixpk= 1027, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 835, 836, 837,
&end
#
# 56 ASP HN 55 ILE HB 5.50 (# 1035:20 Unique 4.14, 4.20 A)
&rst
ixpk= 1035, nxpk= 20, iat= 848, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 ALA HN 55 ILE HB 5.50 (# 1036:20 Unique 3.09, 3.30 A)
&rst
ixpk= 1036, nxpk= 20, iat= 88, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ILE HG1+ 55 ILE QD1 2.80 (# 901:20 Unique 2.42, 2.66 A)
&rst
ixpk= 901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 839, 840,
igr2= 842, 843, 844,
&end
#
# 55 ILE QG2 55 ILE HG1+ 3.50 (# 1070:20 Unique 2.41, 3.50 A)
&rst
ixpk= 1070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 835, 836, 837,
igr2= 839, 840,
&end
#
# 55 ILE HG1+ 56 ASP HN 5.50 (# 92:10 Unique 2.63, 3.25 A)
&rst
ixpk= 92, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 839, 840,
&end
#
# 55 ILE HG1+ 60 ASN HB+ 4.50 (# 1877:20 Unique 2.39, 3.45 A)
&rst
ixpk= 1877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 839, 840,
igr2= 907, 908,
&end
#
# 60 ASN HB- 55 ILE HG1+ 4.50 (# 1066:20 Unique 2.39, 3.45 A)
&rst
ixpk= 1066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 907, 908,
igr2= 839, 840,
&end
#
# 55 ILE HG1+ 60 ASN HD2- 5.50 (# 1294:10 Unique 2.56, 3.35 A)
&rst
ixpk= 1294, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 839, 840,
igr2= 912, 913,
&end
#
# 55 ILE QD1 55 ILE HG1- 3.50 (# 1072:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 842, 843, 844,
igr2= 839, 840,
&end
#
# 55 ILE HG1- 55 ILE QG2 3.50 (# 936:20 Unique 2.41, 3.50 A)
&rst
ixpk= 936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 839, 840,
igr2= 835, 836, 837,
&end
#
# 56 ASP HB- 55 ILE HG1- 4.50 (# 1075:20 Unique 4.52, 5.37 A)
&rst
ixpk= 1075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 852, 853,
igr2= 839, 840,
&end
#
# 55 ILE HG1- 56 ASP HN 4.50 (# 90:10 Unique 2.63, 3.25 A)
&rst
ixpk= 90, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 839, 840,
&end
#
# 55 ILE HG1- 60 ASN HB+ 4.50 (# 1875:20 Unique 2.39, 3.45 A)
&rst
ixpk= 1875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 839, 840,
igr2= 907, 908,
&end
#
# 55 ILE HG1- 60 ASN HD2+ 5.50 (# 1396:10 Unique 2.56, 3.35 A)
&rst
ixpk= 1396, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 839, 840,
igr2= 912, 913,
&end
#
# 60 ASN HD2- 55 ILE HG1- 4.50 (# 1077:20 Unique 2.56, 3.35 A)
&rst
ixpk= 1077, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 912, 913,
igr2= 839, 840,
&end
#
# 55 ILE QD1 55 ILE HN 5.50 (# 1394:10 Unique 5.63, 5.98 A)
&rst
ixpk= 1394, nxpk= 10, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 842, 843, 844,
&end
#
# 55 ILE QG2 55 ILE HN 2.80 (# 404:10 Unique 2.48, 3.21 A)
&rst
ixpk= 404, nxpk= 10, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 835, 836, 837,
&end
#
# 55 ILE HN 56 ASP HN 5.50 (# 1248:10 Unique 4.02, 4.17 A)
&rst
ixpk= 1248, nxpk= 10, iat= 829, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ILE QG2 55 ILE QD1 3.50 (# 900:20 Unique 2.19, 3.85 A)
&rst
ixpk= 900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 835, 836, 837,
igr2= 842, 843, 844,
&end
#
# 56 ASP HN 55 ILE QD1 5.50 (# 913:20 Unique 4.99, 5.39 A)
&rst
ixpk= 913, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 842, 843, 844,
&end
#
# 55 ILE QD1 6 ALA MB 3.50 (# 2450:20 Unique 3.57, 5.55 A)
&rst
ixpk= 2450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 842, 843, 844,
igr2= 92, 93, 94,
&end
#
# 60 ASN HB+ 55 ILE QD1 3.50 (# 899:20 Unique 2.29, 3.65 A)
&rst
ixpk= 899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 907, 908,
igr2= 842, 843, 844,
&end
#
# 60 ASN HB- 55 ILE QD1 3.50 (# 898:20 Unique 2.29, 3.65 A)
&rst
ixpk= 898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 907, 908,
igr2= 842, 843, 844,
&end
#
# 60 ASN HD2+ 55 ILE QD1 5.50 (# 911:20 Unique 3.78, 4.80 A)
&rst
ixpk= 911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 912, 913,
igr2= 842, 843, 844,
&end
#
# 60 ASN HD2- 55 ILE QD1 4.50 (# 912:20 Unique 3.78, 4.80 A)
&rst
ixpk= 912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 912, 913,
igr2= 842, 843, 844,
&end
#
# 63 THR HA 55 ILE QD1 5.50 (# 906:20 Unique 5.07, 5.59 A)
&rst
ixpk= 906, nxpk= 20, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 842, 843, 844,
&end
#
# 55 ILE QD1 63 THR HB 4.50 (# 35:20 Unique 2.34, 2.96 A)
&rst
ixpk= 35, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 842, 843, 844,
&end
#
# 7 THR HA 55 ILE QD1 3.50 (# 908:20 Unique 2.28, 3.01 A)
&rst
ixpk= 908, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 842, 843, 844,
&end
#
# 55 ILE QD1 7 THR HN 5.50 (# 1438:10 Unique 3.70, 4.86 A)
&rst
ixpk= 1438, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 842, 843, 844,
&end
#
# 55 ILE QD1 7 THR MG2 5.50 (# 1323:20 Unique 4.30, 5.80 A)
&rst
ixpk= 1323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 842, 843, 844,
igr2= 104, 105, 106,
&end
#
# 55 ILE QD1 8 ASP HA 4.50 (# 2136:20 Unique 4.32, 5.03 A)
&rst
ixpk= 2136, nxpk= 20, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 842, 843, 844,
&end
#
# 55 ILE QD1 8 ASP HN 4.50 (# 545:10 Unique 3.50, 4.39 A)
&rst
ixpk= 545, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 842, 843, 844,
&end
#
# 56 ASP HN 55 ILE QG2 4.50 (# 921:20 Unique 4.59, 5.25 A)
&rst
ixpk= 921, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 835, 836, 837,
&end
#
# 57 VAL HA 55 ILE QG2 5.50 (# 931:20 Unique 4.90, 6.15 A)
&rst
ixpk= 931, nxpk= 20, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 835, 836, 837,
&end
#
# 55 ILE QG2 57 VAL MGX 5.50 (# 1177:20 Unique 3.96, 7.47 A)
&rst
ixpk= 1177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 835, 836, 837,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 55 ILE QG2 57 VAL MGY 4.50 (# 2453:20 Unique 3.96, 7.47 A)
&rst
ixpk= 2453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 835, 836, 837,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 6 ALA HN 55 ILE QG2 5.50 (# 919:20 Unique 4.82, 5.58 A)
&rst
ixpk= 919, nxpk= 20, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 835, 836, 837,
&end
#
# 55 ILE QG2 60 ASN HB+ 4.50 (# 1879:20 Unique 5.44, 6.31 A)
&rst
ixpk= 1879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 835, 836, 837,
igr2= 907, 908,
&end
#
# 55 ILE QG2 64 ALA MB 5.50 (# 2402:20 Unique 4.41, 6.55 A)
&rst
ixpk= 2402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 835, 836, 837,
igr2= 967, 968, 969,
&end
#
# 56 ASP HA 56 ASP HB+ 3.50 (# 1830:20 Unique 2.35, 2.73 A)
&rst
ixpk= 1830, nxpk= 20, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 852, 853,
&end
#
# 56 ASP HA 56 ASP HB- 4.50 (# 1829:20 Unique 2.35, 2.73 A)
&rst
ixpk= 1829, nxpk= 20, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 852, 853,
&end
#
# 56 ASP HA 56 ASP HN 4.50 (# 87:10 Unique 2.91, 2.93 A)
&rst
ixpk= 87, nxpk= 10, iat= 850, 848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 ASP HA 57 VAL HN 2.80 (# 329:10 Unique 2.20, 2.27 A)
&rst
ixpk= 329, nxpk= 10, iat= 850, 860, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 VAL MGX 56 ASP HA 4.50 (# 308:20 Unique 3.78, 5.02 A)
&rst
ixpk= 308, nxpk= 20, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 57 VAL MGY 56 ASP HA 4.50 (# 307:20 Unique 3.78, 5.02 A)
&rst
ixpk= 307, nxpk= 20, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 58 ASP HN 56 ASP HA 4.50 (# 315:20 Unique 3.97, 4.18 A)
&rst
ixpk= 315, nxpk= 20, iat= 876, 850, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 ASP HN 56 ASP HB+ 3.50 (# 1837:20 Unique 2.24, 2.59 A)
&rst
ixpk= 1837, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 852, 853,
&end
#
# 57 VAL HN 56 ASP HB+ 4.50 (# 1841:20 Unique 4.13, 4.29 A)
&rst
ixpk= 1841, nxpk= 20, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 852, 853,
&end
#
# 59 GLU HN 56 ASP HB+ 5.50 (# 1834:20 Unique 3.15, 4.11 A)
&rst
ixpk= 1834, nxpk= 20, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 852, 853,
&end
#
# 60 ASN HD2- 56 ASP HB+ 5.50 (# 1840:20 Unique 2.81, 4.24 A)
&rst
ixpk= 1840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 912, 913,
igr2= 852, 853,
&end
#
# 56 ASP HB- 56 ASP HN 2.80 (# 88:10 Unique 2.24, 2.59 A)
&rst
ixpk= 88, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 852, 853,
&end
#
# 56 ASP HB- 57 VAL HN 5.50 (# 1378:10 Unique 4.13, 4.29 A)
&rst
ixpk= 1378, nxpk= 10, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 852, 853,
&end
#
# 59 GLU HB+ 56 ASP HB- 4.50 (# 1827:20 Unique 2.23, 4.07 A)
&rst
ixpk= 1827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 892, 893,
igr2= 852, 853,
&end
#
# 59 GLU HN 56 ASP HB- 5.50 (# 1833:20 Unique 3.15, 4.11 A)
&rst
ixpk= 1833, nxpk= 20, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 852, 853,
&end
#
# 56 ASP HB- 60 ASN HD2+ 4.50 (# 414:10 Unique 2.81, 4.24 A)
&rst
ixpk= 414, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 852, 853,
igr2= 912, 913,
&end
#
# 56 ASP HB- 60 ASN HD2- 4.50 (# 411:10 Unique 2.81, 4.24 A)
&rst
ixpk= 411, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 852, 853,
igr2= 912, 913,
&end
#
# 56 ASP HN 57 VAL HN 5.50 (# 1381:10 Unique 4.45, 4.58 A)
&rst
ixpk= 1381, nxpk= 10, iat= 848, 860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLU HB+ 56 ASP HN 5.50 (# 1243:10 Unique 3.01, 4.78 A)
&rst
ixpk= 1243, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 892, 893,
&end
#
# 56 ASP HN 60 ASN HD2+ 4.50 (# 417:10 Unique 2.73, 3.28 A)
&rst
ixpk= 417, nxpk= 10, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 912, 913,
&end
#
# 56 ASP HN 60 ASN HD2- 3.50 (# 406:10 Unique 2.73, 3.28 A)
&rst
ixpk= 406, nxpk= 10, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 912, 913,
&end
#
# 57 VAL HA 57 VAL HB 3.50 (# 2850:20 Unique 2.42, 2.49 A)
&rst
ixpk= 2850, nxpk= 20, iat= 862, 864, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 VAL HA 57 VAL MGX 3.50 (# 1169:20 Unique 2.31, 3.50 A)
&rst
ixpk= 1169, nxpk= 20, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 57 VAL HA 58 ASP HN 3.50 (# 352:10 Unique 3.26, 3.52 A)
&rst
ixpk= 352, nxpk= 10, iat= 862, 876, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 ASN HB+ 57 VAL HA 4.50 (# 611:20 Unique 2.77, 4.14 A)
&rst
ixpk= 611, nxpk= 20, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 907, 908,
&end
#
# 60 ASN HB- 57 VAL HA 5.50 (# 610:20 Unique 2.77, 4.14 A)
&rst
ixpk= 610, nxpk= 20, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 907, 908,
&end
#
# 60 ASN HD2+ 57 VAL HA 4.50 (# 602:20 Unique 1.99, 4.41 A)
&rst
ixpk= 602, nxpk= 20, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 912, 913,
&end
#
# 57 VAL HA 60 ASN HN 3.50 (# 632:10 Unique 3.41, 3.54 A)
&rst
ixpk= 632, nxpk= 10, iat= 862, 903, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 VAL HA 64 ALA MB 3.50 (# 2393:20 Unique 2.38, 3.29 A)
&rst
ixpk= 2393, nxpk= 20, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 967, 968, 969,
&end
#
# 57 VAL HB 57 VAL HN 4.50 (# 330:10 Unique 3.59, 3.63 A)
&rst
ixpk= 330, nxpk= 10, iat= 864, 860, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 VAL MGX 57 VAL HB 3.50 (# 2847:20 Unique 2.35, 2.64 A)
&rst
ixpk= 2847, nxpk= 20, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 57 VAL HB 57 VAL MGY 2.80 (# 2455:20 Unique 2.35, 2.64 A)
&rst
ixpk= 2455, nxpk= 20, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 64 ALA MB 57 VAL HB 3.50 (# 2849:20 Unique 2.52, 3.69 A)
&rst
ixpk= 2849, nxpk= 20, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 967, 968, 969,
&end
#
# 57 VAL HB 72 ILE QG2 5.50 (# 1183:20 Unique 3.96, 4.65 A)
&rst
ixpk= 1183, nxpk= 20, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1080,1081,1082,
&end
#
# 57 VAL MGX 57 VAL HN 2.80 (# 333:10 Unique 2.01, 3.10 A)
&rst
ixpk= 333, nxpk= 10, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 57 VAL MGY 57 VAL HN 2.80 (# 332:10 Unique 2.01, 3.10 A)
&rst
ixpk= 332, nxpk= 10, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 57 VAL HN 58 ASP HN 3.50 (# 348:10 Unique 2.72, 2.84 A)
&rst
ixpk= 348, nxpk= 10, iat= 860, 876, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 VAL HN 72 ILE QG2 5.50 (# 1198:20 Unique 3.47, 4.55 A)
&rst
ixpk= 1198, nxpk= 20, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1080,1081,1082,
&end
#
# 57 VAL MGX 58 ASP HA 5.50 (# 2272:20 Unique 3.35, 5.64 A)
&rst
ixpk= 2272, nxpk= 20, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 57 VAL MGX 58 ASP HN 3.50 (# 378:10 Unique 2.45, 4.31 A)
&rst
ixpk= 378, nxpk= 10, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 57 VAL MGX 64 ALA MB 4.50 (# 2399:20 Unique 2.33, 5.00 A)
&rst
ixpk= 2399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 866, 867, 868, 870, 871, 872,
igr2= 967, 968, 969,
&end
#
# 72 ILE QD1 57 VAL MGX 4.50 (# 1176:20 Unique 2.28, 4.82 A)
&rst
ixpk= 1176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1087,1088,1089,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 74 THR HN 57 VAL MGX 5.50 (# 1165:20 Unique 5.52, 6.91 A)
&rst
ixpk= 1165, nxpk= 20, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 57 VAL MGY 58 ASP HN 5.50 (# 1238:10 Unique 2.45, 4.31 A)
&rst
ixpk= 1238, nxpk= 10, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 57 VAL MGY 64 ALA MB 3.50 (# 2398:20 Unique 2.33, 5.00 A)
&rst
ixpk= 2398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 866, 867, 868, 870, 871, 872,
igr2= 967, 968, 969,
&end
#
# 57 VAL MGY 69 VAL HB 4.50 (# 1492:20 Unique 4.29, 6.70 A)
&rst
ixpk= 1492, nxpk= 20, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 866, 867, 868, 870, 871, 872,
&end
#
# 57 VAL MGY 69 VAL MGX 4.50 (# 1015:20 Unique 2.50, 6.88 A)
&rst
ixpk= 1015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 866, 867, 868, 870, 871, 872,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 72 ILE QD1 57 VAL MGY 4.50 (# 2454:20 Unique 2.28, 4.82 A)
&rst
ixpk= 2454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1087,1088,1089,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 58 ASP HA 58 ASP HB+ 3.50 (# 2910:20 Unique 2.44, 2.75 A)
&rst
ixpk= 2910, nxpk= 20, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 880, 881,
&end
#
# 58 ASP HB- 58 ASP HA 3.50 (# 2269:20 Unique 2.44, 2.75 A)
&rst
ixpk= 2269, nxpk= 20, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 880, 881,
&end
#
# 58 ASP HA 58 ASP HN 3.50 (# 351:10 Unique 2.85, 2.93 A)
&rst
ixpk= 351, nxpk= 10, iat= 878, 876, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 ASP HA 59 GLU HN 4.50 (# 882:10 Unique 3.18, 3.51 A)
&rst
ixpk= 882, nxpk= 10, iat= 878, 888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 ASP HA 61 GLN HE2- 5.50 (# 1070:10 Unique 3.79, 5.04 A)
&rst
ixpk= 1070, nxpk= 10, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 929, 930,
&end
#
# 58 ASP HA 61 GLN HG+ 5.50 (# 870:20 Unique 3.53, 4.84 A)
&rst
ixpk= 870, nxpk= 20, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 924, 925,
&end
#
# 58 ASP HA 61 GLN HG- 5.50 (# 871:20 Unique 3.53, 4.84 A)
&rst
ixpk= 871, nxpk= 20, iat= 878, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 924, 925,
&end
#
# 58 ASP HB+ 58 ASP HN 3.50 (# 354:10 Unique 2.43, 2.63 A)
&rst
ixpk= 354, nxpk= 10, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 880, 881,
&end
#
# 58 ASP HB+ 59 GLU HN 3.50 (# 879:10 Unique 2.56, 3.41 A)
&rst
ixpk= 879, nxpk= 10, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 880, 881,
&end
#
# 58 ASP HB- 58 ASP HN 2.80 (# 353:10 Unique 2.43, 2.63 A)
&rst
ixpk= 353, nxpk= 10, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 880, 881,
&end
#
# 58 ASP HB- 59 GLU HG+ 4.50 (# 1973:20 Unique 3.36, 5.14 A)
&rst
ixpk= 1973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 880, 881,
igr2= 895, 896,
&end
#
# 58 ASP HB- 59 GLU HG- 4.50 (# 831:20 Unique 3.36, 5.14 A)
&rst
ixpk= 831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 880, 881,
igr2= 895, 896,
&end
#
# 58 ASP HB- 59 GLU HN 3.50 (# 878:10 Unique 2.56, 3.41 A)
&rst
ixpk= 878, nxpk= 10, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 880, 881,
&end
#
# 58 ASP HB- 70 MET ME 5.50 (# 2371:20 Unique 5.70, 7.27 A)
&rst
ixpk= 2371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 880, 881,
igr2=1057,1058,1059,
&end
#
# 59 GLU HA 58 ASP HN 5.50 (# 1235:10 Unique 4.64, 5.09 A)
&rst
ixpk= 1235, nxpk= 10, iat= 890, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLU HB+ 58 ASP HN 5.50 (# 1237:10 Unique 3.78, 5.11 A)
&rst
ixpk= 1237, nxpk= 10, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 892, 893,
&end
#
# 58 ASP HN 59 GLU HN 2.80 (# 880:10 Unique 1.87, 2.36 A)
&rst
ixpk= 880, nxpk= 10, iat= 876, 888, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 58 ASP HN 60 ASN HN 4.50 (# 628:10 Unique 3.15, 3.73 A)
&rst
ixpk= 628, nxpk= 10, iat= 876, 903, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 GLU HA 59 GLU HB+ 3.50 (# 2807:20 Unique 2.51, 2.81 A)
&rst
ixpk= 2807, nxpk= 20, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 892, 893,
&end
#
# 59 GLU HA 59 GLU HB- 3.50 (# 2844:20 Unique 2.51, 2.81 A)
&rst
ixpk= 2844, nxpk= 20, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 892, 893,
&end
#
# 59 GLU HG+ 59 GLU HA 3.50 (# 2076:20 Unique 2.40, 3.25 A)
&rst
ixpk= 2076, nxpk= 20, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 895, 896,
&end
#
# 59 GLU HA 59 GLU HG- 3.50 (# 1969:20 Unique 2.40, 3.25 A)
&rst
ixpk= 1969, nxpk= 20, iat= 890, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 895, 896,
&end
#
# 59 GLU HA 59 GLU HN 3.50 (# 883:10 Unique 2.89, 2.91 A)
&rst
ixpk= 883, nxpk= 10, iat= 890, 888, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 GLU HA 60 ASN HN 3.50 (# 624:10 Unique 3.38, 3.45 A)
&rst
ixpk= 624, nxpk= 10, iat= 890, 903, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 GLN HN 59 GLU HA 5.50 (# 2081:20 Unique 4.35, 4.83 A)
&rst
ixpk= 2081, nxpk= 20, iat= 917, 890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLU HG+ 59 GLU HB+ 2.80 (# 2808:20 Unique 2.37, 2.66 A)
&rst
ixpk= 2808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 895, 896,
igr2= 892, 893,
&end
#
# 59 GLU HB+ 59 GLU HN 2.80 (# 886:10 Unique 2.29, 2.97 A)
&rst
ixpk= 886, nxpk= 10, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 892, 893,
&end
#
# 60 ASN HD2+ 59 GLU HB+ 3.50 (# 2806:20 Unique 2.67, 3.67 A)
&rst
ixpk= 2806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 912, 913,
igr2= 892, 893,
&end
#
# 59 GLU HB+ 60 ASN HD2- 4.50 (# 413:10 Unique 2.67, 3.67 A)
&rst
ixpk= 413, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 892, 893,
igr2= 912, 913,
&end
#
# 59 GLU HB+ 60 ASN HN 4.50 (# 635:10 Unique 2.83, 3.71 A)
&rst
ixpk= 635, nxpk= 10, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 892, 893,
&end
#
# 59 GLU HN 59 GLU HB- 4.50 (# 2843:20 Unique 2.29, 2.97 A)
&rst
ixpk= 2843, nxpk= 20, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 892, 893,
&end
#
# 60 ASN HD2+ 59 GLU HB- 4.50 (# 2842:20 Unique 2.67, 3.67 A)
&rst
ixpk= 2842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 912, 913,
igr2= 892, 893,
&end
#
# 60 ASN HD2- 59 GLU HB- 4.50 (# 2840:20 Unique 2.67, 3.67 A)
&rst
ixpk= 2840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 912, 913,
igr2= 892, 893,
&end
#
# 60 ASN HN 59 GLU HB- 4.50 (# 2841:20 Unique 2.83, 3.71 A)
&rst
ixpk= 2841, nxpk= 20, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 892, 893,
&end
#
# 59 GLU HG+ 59 GLU HN 3.50 (# 884:10 Unique 2.35, 3.13 A)
&rst
ixpk= 884, nxpk= 10, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 895, 896,
&end
#
# 60 ASN HN 59 GLU HG+ 5.50 (# 1968:20 Unique 4.38, 5.10 A)
&rst
ixpk= 1968, nxpk= 20, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 895, 896,
&end
#
# 59 GLU HN 59 GLU HG- 4.50 (# 1966:20 Unique 2.35, 3.13 A)
&rst
ixpk= 1966, nxpk= 20, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 895, 896,
&end
#
# 60 ASN HN 59 GLU HG- 5.50 (# 1967:20 Unique 4.38, 5.10 A)
&rst
ixpk= 1967, nxpk= 20, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 895, 896,
&end
#
# 59 GLU HN 60 ASN HD2+ 5.50 (# 1395:10 Unique 3.31, 4.34 A)
&rst
ixpk= 1395, nxpk= 10, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 912, 913,
&end
#
# 60 ASN HD2- 59 GLU HN 5.50 (# 1533:10 Unique 3.31, 4.34 A)
&rst
ixpk= 1533, nxpk= 10, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 912, 913,
&end
#
# 60 ASN HN 59 GLU HN 2.80 (# 881:10 Unique 1.79, 2.58 A)
&rst
ixpk= 881, nxpk= 10, iat= 903, 888, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 59 GLU HN 70 MET ME 5.50 (# 2364:20 Unique 5.72, 6.87 A)
&rst
ixpk= 2364, nxpk= 20, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1057,1058,1059,
&end
#
# 6 ALA HA 6 ALA HN 2.90 (# 1358:10 Unique 2.88, 2.91 A)
&rst
ixpk= 1358, nxpk= 10, iat= 90, 88, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 6 ALA HA 6 ALA MB 3.50 (# 2443:20 Unique 2.35, 2.66 A)
&rst
ixpk= 2443, nxpk= 20, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 92, 93, 94,
&end
#
# 6 ALA HA 7 THR HN 2.80 (# 1224:10 Unique 2.41, 2.49 A)
&rst
ixpk= 1224, nxpk= 10, iat= 90, 98, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 6 ALA HN 6 ALA MB 3.50 (# 2440:20 Unique 2.80, 3.41 A)
&rst
ixpk= 2440, nxpk= 20, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 92, 93, 94,
&end
#
# 6 ALA HN 7 THR HN 5.50 (# 1545:10 Unique 4.38, 4.41 A)
&rst
ixpk= 1545, nxpk= 10, iat= 88, 98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 THR HN 6 ALA MB 3.50 (# 2436:20 Unique 2.28, 3.25 A)
&rst
ixpk= 2436, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 92, 93, 94,
&end
#
# 60 ASN HB+ 60 ASN HA 3.50 (# 544:20 Unique 2.30, 2.71 A)
&rst
ixpk= 544, nxpk= 20, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 907, 908,
&end
#
# 60 ASN HA 60 ASN HB- 3.50 (# 1887:20 Unique 2.30, 2.71 A)
&rst
ixpk= 1887, nxpk= 20, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 907, 908,
&end
#
# 60 ASN HA 60 ASN HD2- 5.50 (# 1295:10 Unique 4.00, 4.30 A)
&rst
ixpk= 1295, nxpk= 10, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 912, 913,
&end
#
# 60 ASN HA 60 ASN HN 3.50 (# 631:10 Unique 2.96, 2.99 A)
&rst
ixpk= 631, nxpk= 10, iat= 905, 903, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 ASN HA 61 GLN HN 2.80 (# 606:10 Unique 2.05, 2.39 A)
&rst
ixpk= 606, nxpk= 10, iat= 905, 917, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 ASN HA 62 GLU HN 4.50 (# 371:10 Unique 3.26, 3.57 A)
&rst
ixpk= 371, nxpk= 10, iat= 905, 934, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 ASN HA 8 ASP HN 5.50 (# 539:10 Unique 2.42, 3.22 A)
&rst
ixpk= 539, nxpk= 10, iat= 905, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASN HB+ 60 ASN HD2+ 3.50 (# 421:10 Unique 2.25, 3.35 A)
&rst
ixpk= 421, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 907, 908,
igr2= 912, 913,
&end
#
# 60 ASN HB+ 60 ASN HD2- 3.50 (# 410:10 Unique 2.25, 3.35 A)
&rst
ixpk= 410, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 907, 908,
igr2= 912, 913,
&end
#
# 60 ASN HB+ 60 ASN HN 2.80 (# 634:10 Unique 2.62, 3.26 A)
&rst
ixpk= 634, nxpk= 10, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 907, 908,
&end
#
# 61 GLN HN 60 ASN HB+ 5.50 (# 1867:20 Unique 3.32, 4.31 A)
&rst
ixpk= 1867, nxpk= 20, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 907, 908,
&end
#
# 60 ASN HB+ 8 ASP HN 4.50 (# 543:10 Unique 1.79, 3.23 A)
&rst
ixpk= 543, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 907, 908,
&end
#
# 60 ASN HB- 60 ASN HD2+ 5.50 (# 420:10 Unique 2.25, 3.35 A)
&rst
ixpk= 420, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 907, 908,
igr2= 912, 913,
&end
#
# 60 ASN HB- 60 ASN HD2- 4.50 (# 409:10 Unique 2.25, 3.35 A)
&rst
ixpk= 409, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 907, 908,
igr2= 912, 913,
&end
#
# 60 ASN HB- 60 ASN HN 3.50 (# 633:10 Unique 2.62, 3.26 A)
&rst
ixpk= 633, nxpk= 10, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 907, 908,
&end
#
# 8 ASP HN 60 ASN HB- 4.50 (# 1891:20 Unique 1.79, 3.23 A)
&rst
ixpk= 1891, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 907, 908,
&end
#
# 7 THR MG2 60 ASN HD2+ 4.50 (# 416:10 Unique 1.86, 4.10 A)
&rst
ixpk= 416, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 104, 105, 106,
igr2= 912, 913,
&end
#
# 60 ASN HD2- 60 ASN HN 3.50 (# 629:10 Unique 2.30, 3.68 A)
&rst
ixpk= 629, nxpk= 10, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 912, 913,
&end
#
# 7 THR MG2 60 ASN HD2- 5.50 (# 1293:10 Unique 1.86, 4.10 A)
&rst
ixpk= 1293, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 104, 105, 106,
igr2= 912, 913,
&end
#
# 60 ASN HN 61 GLN HE2+ 5.50 (# 1064:10 Unique 3.08, 3.93 A)
&rst
ixpk= 1064, nxpk= 10, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 929, 930,
&end
#
# 61 GLN HN 60 ASN HN 4.50 (# 623:10 Unique 2.94, 3.41 A)
&rst
ixpk= 623, nxpk= 10, iat= 917, 903, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 GLN HA 61 GLN HB- 3.50 (# 1486:20 Unique 2.32, 2.69 A)
&rst
ixpk= 1486, nxpk= 20, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 921, 922,
&end
#
# 61 GLN HA 61 GLN HG+ 3.50 (# 874:20 Unique 2.64, 3.27 A)
&rst
ixpk= 874, nxpk= 20, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 924, 925,
&end
#
# 61 GLN HA 61 GLN HN 2.80 (# 607:10 Unique 2.74, 2.82 A)
&rst
ixpk= 607, nxpk= 10, iat= 919, 917, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 61 GLN HA 62 GLU HN 4.50 (# 372:10 Unique 3.51, 3.55 A)
&rst
ixpk= 372, nxpk= 10, iat= 919, 934, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 GLN HA 64 ALA HN 4.50 (# 362:10 Unique 4.37, 4.54 A)
&rst
ixpk= 362, nxpk= 10, iat= 919, 963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 GLN HA 64 ALA MB 3.50 (# 2391:20 Unique 3.47, 4.67 A)
&rst
ixpk= 2391, nxpk= 20, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 967, 968, 969,
&end
#
# 61 GLN HA 65 GLY HN 5.50 (# 1341:10 Unique 3.58, 3.84 A)
&rst
ixpk= 1341, nxpk= 10, iat= 919, 973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 GLN HA 70 MET ME 4.50 (# 2367:20 Unique 1.97, 2.54 A)
&rst
ixpk= 2367, nxpk= 20, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1057,1058,1059,
&end
#
# 61 GLN HB+ 61 GLN HN 2.80 (# 612:10 Unique 2.39, 3.22 A)
&rst
ixpk= 612, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 921, 922,
&end
#
# 61 GLN HG+ 61 GLN HB- 2.80 (# 1530:20 Unique 2.30, 2.63 A)
&rst
ixpk= 1530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 924, 925,
igr2= 921, 922,
&end
#
# 61 GLN HG- 61 GLN HB- 2.80 (# 1531:20 Unique 2.30, 2.63 A)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 924, 925,
igr2= 921, 922,
&end
#
# 61 GLN HB- 61 GLN HN 2.80 (# 611:10 Unique 2.39, 3.22 A)
&rst
ixpk= 611, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 921, 922,
&end
#
# 62 GLU HN 61 GLN HB- 4.50 (# 1529:20 Unique 2.28, 3.33 A)
&rst
ixpk= 1529, nxpk= 20, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 921, 922,
&end
#
# 61 GLN HG- 61 GLN HE2+ 5.50 (# 1078:10 Unique 2.25, 3.35 A)
&rst
ixpk= 1078, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 924, 925,
igr2= 929, 930,
&end
#
# 61 GLN HE2+ 9 GLN HE2- 5.50 (# 1056:10 Unique 2.76, 6.16 A)
&rst
ixpk= 1056, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 929, 930,
igr2= 136, 137,
&end
#
# 62 GLU HB+ 61 GLN HE2- 5.50 (# 1085:10 Unique 5.38, 7.33 A)
&rst
ixpk= 1085, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 938, 939,
igr2= 929, 930,
&end
#
# 61 GLN HN 61 GLN HG+ 3.50 (# 858:20 Unique 2.68, 3.38 A)
&rst
ixpk= 858, nxpk= 20, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 924, 925,
&end
#
# 61 GLN HG+ 62 GLU HN 5.50 (# 1387:10 Unique 2.68, 4.85 A)
&rst
ixpk= 1387, nxpk= 10, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 924, 925,
&end
#
# 61 GLN HG- 61 GLN HN 3.50 (# 610:10 Unique 2.68, 3.38 A)
&rst
ixpk= 610, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 924, 925,
&end
#
# 61 GLN HG- 62 GLU HN 5.50 (# 1386:10 Unique 2.68, 4.85 A)
&rst
ixpk= 1386, nxpk= 10, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 924, 925,
&end
#
# 61 GLN HG- 70 MET ME 4.50 (# 2374:20 Unique 3.68, 5.15 A)
&rst
ixpk= 2374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 924, 925,
igr2=1057,1058,1059,
&end
#
# 62 GLU HA 61 GLN HN 5.50 (# 1306:10 Unique 4.70, 5.21 A)
&rst
ixpk= 1306, nxpk= 10, iat= 936, 917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLU HB+ 61 GLN HN 4.50 (# 1309:10 Unique 3.91, 5.26 A)
&rst
ixpk= 1309, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 938, 939,
&end
#
# 62 GLU HG- 61 GLN HN 5.50 (# 1308:10 Unique 4.03, 5.64 A)
&rst
ixpk= 1308, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 941, 942,
&end
#
# 62 GLU HN 61 GLN HN 2.80 (# 604:10 Unique 2.06, 2.65 A)
&rst
ixpk= 604, nxpk= 10, iat= 934, 917, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 61 GLN HN 63 THR HN 5.50 (# 1534:10 Unique 3.52, 4.47 A)
&rst
ixpk= 1534, nxpk= 10, iat= 917, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLU HA 62 GLU HB+ 2.80 (# 1535:20 Unique 2.43, 2.83 A)
&rst
ixpk= 1535, nxpk= 20, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 938, 939,
&end
#
# 62 GLU HA 62 GLU HN 2.80 (# 373:10 Unique 2.76, 2.84 A)
&rst
ixpk= 373, nxpk= 10, iat= 936, 934, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 62 GLU HA 63 THR HN 4.50 (# 616:10 Unique 3.62, 3.67 A)
&rst
ixpk= 616, nxpk= 10, iat= 936, 949, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 GLU HA 64 ALA HN 5.50 (# 1390:10 Unique 4.94, 5.14 A)
&rst
ixpk= 1390, nxpk= 10, iat= 936, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLU HA 65 GLY HN 4.50 (# 82:10 Unique 3.46, 3.75 A)
&rst
ixpk= 82, nxpk= 10, iat= 936, 973, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 GLU HA 66 LYS HN 5.50 (# 285:10 Unique 4.23, 4.42 A)
&rst
ixpk= 285, nxpk= 10, iat= 936, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLU HB+ 62 GLU HN 2.80 (# 377:10 Unique 1.99, 2.77 A)
&rst
ixpk= 377, nxpk= 10, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 938, 939,
&end
#
# 62 GLU HB+ 63 THR HN 2.80 (# 620:10 Unique 2.64, 3.18 A)
&rst
ixpk= 620, nxpk= 10, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 938, 939,
&end
#
# 62 GLU HB+ 66 LYS HN 5.50 (# 1376:10 Unique 5.11, 5.93 A)
&rst
ixpk= 1376, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 938, 939,
&end
#
# 8 ASP HB+ 62 GLU HB+ 3.50 (# 1536:20 Unique 2.08, 3.20 A)
&rst
ixpk= 1536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 116, 117,
igr2= 938, 939,
&end
#
# 62 GLU HB+ 9 GLN HE2+ 5.50 (# 1043:10 Unique 5.23, 6.74 A)
&rst
ixpk= 1043, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 938, 939,
igr2= 136, 137,
&end
#
# 62 GLU HN 62 GLU HG+ 4.50 (# 824:20 Unique 2.13, 3.42 A)
&rst
ixpk= 824, nxpk= 20, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 941, 942,
&end
#
# 62 GLU HG+ 63 THR HN 5.50 (# 1502:10 Unique 4.40, 5.00 A)
&rst
ixpk= 1502, nxpk= 10, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 941, 942,
&end
#
# 62 GLU HG- 62 GLU HN 3.50 (# 375:10 Unique 2.13, 3.42 A)
&rst
ixpk= 375, nxpk= 10, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 941, 942,
&end
#
# 63 THR HN 62 GLU HG- 5.50 (# 825:20 Unique 4.40, 5.00 A)
&rst
ixpk= 825, nxpk= 20, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 941, 942,
&end
#
# 63 THR HA 62 GLU HN 5.50 (# 1385:10 Unique 5.31, 5.34 A)
&rst
ixpk= 1385, nxpk= 10, iat= 951, 934, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLU HN 63 THR HN 2.80 (# 613:10 Unique 2.77, 2.82 A)
&rst
ixpk= 613, nxpk= 10, iat= 934, 949, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 62 GLU HN 64 ALA HN 5.50 (# 1539:10 Unique 4.44, 4.59 A)
&rst
ixpk= 1539, nxpk= 10, iat= 934, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ASP HB+ 62 GLU HN 4.50 (# 374:10 Unique 2.47, 3.34 A)
&rst
ixpk= 374, nxpk= 10, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 116, 117,
&end
#
# 63 THR HA 63 THR HN 2.80 (# 617:10 Unique 2.82, 2.85 A)
&rst
ixpk= 617, nxpk= 10, iat= 951, 949, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 63 THR HA 63 THR MG2 3.50 (# 2551:20 Unique 2.30, 2.81 A)
&rst
ixpk= 2551, nxpk= 20, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 955, 956, 957,
&end
#
# 64 ALA HN 63 THR HA 4.50 (# 49:20 Unique 3.59, 3.61 A)
&rst
ixpk= 49, nxpk= 20, iat= 963, 951, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 LYS HB+ 63 THR HA 5.50 (# 39:20 Unique 2.28, 3.30 A)
&rst
ixpk= 39, nxpk= 20, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 984, 985,
&end
#
# 66 LYS HD+ 63 THR HA 5.50 (# 38:20 Unique 2.56, 4.00 A)
&rst
ixpk= 38, nxpk= 20, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 990, 991,
&end
#
# 66 LYS HN 63 THR HA 5.50 (# 51:20 Unique 3.19, 3.27 A)
&rst
ixpk= 51, nxpk= 20, iat= 980, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 TYR HE 63 THR HA 5.50 (# 46:20 Unique 3.64, 5.24 A)
&rst
ixpk= 46, nxpk= 20, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1012,1017,
&end
#
# 63 THR HA 8 ASP HA 5.50 (# 2131:20 Unique 3.82, 4.29 A)
&rst
ixpk= 2131, nxpk= 20, iat= 951, 114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 THR HB 63 THR HN 3.50 (# 618:10 Unique 2.86, 3.17 A)
&rst
ixpk= 618, nxpk= 10, iat= 953, 949, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 THR HB 63 THR MG2 3.50 (# 2550:20 Unique 2.32, 2.61 A)
&rst
ixpk= 2550, nxpk= 20, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 955, 956, 957,
&end
#
# 64 ALA HN 63 THR HB 4.50 (# 50:20 Unique 2.13, 2.34 A)
&rst
ixpk= 50, nxpk= 20, iat= 963, 953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 GLY HN 63 THR HB 5.50 (# 53:20 Unique 4.71, 4.80 A)
&rst
ixpk= 53, nxpk= 20, iat= 973, 953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 THR HB 66 LYS HB+ 4.50 (# 2801:20 Unique 4.71, 5.26 A)
&rst
ixpk= 2801, nxpk= 20, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 984, 985,
&end
#
# 66 LYS HB- 63 THR HB 4.50 (# 42:20 Unique 4.71, 5.26 A)
&rst
ixpk= 42, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 984, 985,
&end
#
# 66 LYS HD+ 63 THR HB 6.00 (# 40:20 Unique 4.12, 6.09 A)
&rst
ixpk= 40, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 990, 991,
&end
#
# 63 THR HB 66 LYS HN 5.50 (# 287:10 Unique 4.72, 4.88 A)
&rst
ixpk= 287, nxpk= 10, iat= 953, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 TYR HE 63 THR HB 5.50 (# 47:20 Unique 2.81, 5.36 A)
&rst
ixpk= 47, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1012,1017,
&end
#
# 63 THR MG2 63 THR HN 4.50 (# 621:10 Unique 3.50, 4.29 A)
&rst
ixpk= 621, nxpk= 10, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 955, 956, 957,
&end
#
# 63 THR HN 64 ALA HN 2.80 (# 366:10 Unique 2.71, 2.77 A)
&rst
ixpk= 366, nxpk= 10, iat= 949, 963, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 64 ALA MB 63 THR HN 5.50 (# 1475:10 Unique 4.64, 5.40 A)
&rst
ixpk= 1475, nxpk= 10, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 967, 968, 969,
&end
#
# 63 THR HN 65 GLY HN 5.50 (# 1538:10 Unique 3.85, 3.95 A)
&rst
ixpk= 1538, nxpk= 10, iat= 949, 973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ASP HB+ 63 THR HN 4.50 (# 619:10 Unique 1.92, 2.57 A)
&rst
ixpk= 619, nxpk= 10, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 116, 117,
&end
#
# 63 THR MG2 64 ALA HA 5.50 (# 289:20 Unique 4.17, 5.51 A)
&rst
ixpk= 289, nxpk= 20, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 955, 956, 957,
&end
#
# 63 THR MG2 64 ALA HN 4.50 (# 365:10 Unique 3.99, 4.62 A)
&rst
ixpk= 365, nxpk= 10, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 955, 956, 957,
&end
#
# 63 THR MG2 64 ALA MB 5.50 (# 2401:20 Unique 5.40, 6.92 A)
&rst
ixpk= 2401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 955, 956, 957,
igr2= 967, 968, 969,
&end
#
# 63 THR MG2 66 LYS HN 5.50 (# 1374:10 Unique 4.59, 5.61 A)
&rst
ixpk= 1374, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 955, 956, 957,
&end
#
# 63 THR MG2 67 TYR HD 4.50 (# 3209:20 Unique 4.66, 6.90 A)
&rst
ixpk= 3209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 955, 956, 957,
igr2=1010,1019,
&end
#
# 67 TYR HE 63 THR MG2 2.80 (# 2545:20 Unique 2.38, 5.07 A)
&rst
ixpk= 2545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1012,1017,
igr2= 955, 956, 957,
&end
#
# 63 THR MG2 67 TYR HN 5.50 (# 1476:10 Unique 5.74, 6.89 A)
&rst
ixpk= 1476, nxpk= 10, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 955, 956, 957,
&end
#
# 63 THR MG2 8 ASP HA 4.50 (# 2137:20 Unique 2.25, 3.79 A)
&rst
ixpk= 2137, nxpk= 20, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 955, 956, 957,
&end
#
# 64 ALA HN 64 ALA HA 3.50 (# 299:20 Unique 2.80, 2.83 A)
&rst
ixpk= 299, nxpk= 20, iat= 963, 965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 ALA HA 64 ALA MB 2.80 (# 2394:20 Unique 2.34, 2.65 A)
&rst
ixpk= 2394, nxpk= 20, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 967, 968, 969,
&end
#
# 67 TYR HB+ 64 ALA HA 5.50 (# 294:20 Unique 3.78, 5.05 A)
&rst
ixpk= 294, nxpk= 20, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1006,1007,
&end
#
# 67 TYR HD 64 ALA HA 4.50 (# 298:20 Unique 2.12, 4.57 A)
&rst
ixpk= 298, nxpk= 20, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1010,1019,
&end
#
# 67 TYR HE 64 ALA HA 3.50 (# 296:20 Unique 3.13, 5.10 A)
&rst
ixpk= 296, nxpk= 20, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1012,1017,
&end
#
# 64 ALA HA 69 VAL HB 3.50 (# 1494:20 Unique 2.75, 2.97 A)
&rst
ixpk= 1494, nxpk= 20, iat= 965,1034, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 VAL HN 64 ALA HA 4.50 (# 300:20 Unique 3.47, 4.05 A)
&rst
ixpk= 300, nxpk= 20, iat=1030, 965, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 VAL MGX 64 ALA HA 3.50 (# 2090:20 Unique 3.88, 4.96 A)
&rst
ixpk= 2090, nxpk= 20, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1036,1037,1038,1040,1041,1042,
&end
#
# 64 ALA MB 64 ALA HN 2.80 (# 364:10 Unique 2.29, 2.84 A)
&rst
ixpk= 364, nxpk= 10, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 967, 968, 969,
&end
#
# 64 ALA HN 65 GLY HA+ 5.50 (# 2007:20 Unique 5.05, 5.29 A)
&rst
ixpk= 2007, nxpk= 20, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 975, 976,
&end
#
# 64 ALA HN 65 GLY HN 2.80 (# 81:10 Unique 2.82, 2.86 A)
&rst
ixpk= 81, nxpk= 10, iat= 963, 973, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 64 ALA HN 66 LYS HN 4.50 (# 282:10 Unique 4.01, 4.16 A)
&rst
ixpk= 282, nxpk= 10, iat= 963, 980, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 TYR HE 64 ALA HN 4.80 (# 361:10 Unique 4.44, 6.48 A)
&rst
ixpk= 361, nxpk= 10, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1012,1017,
&end
#
# 64 ALA HN 70 MET ME 5.50 (# 2365:20 Unique 3.60, 4.56 A)
&rst
ixpk= 2365, nxpk= 20, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1057,1058,1059,
&end
#
# 64 ALA MB 65 GLY HA+ 4.50 (# 2011:20 Unique 4.26, 5.32 A)
&rst
ixpk= 2011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 967, 968, 969,
igr2= 975, 976,
&end
#
# 64 ALA MB 65 GLY HN 2.80 (# 78:10 Unique 2.53, 3.54 A)
&rst
ixpk= 78, nxpk= 10, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 967, 968, 969,
&end
#
# 67 TYR HE 64 ALA MB 5.50 (# 2389:20 Unique 5.07, 7.51 A)
&rst
ixpk= 2389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1012,1017,
igr2= 967, 968, 969,
&end
#
# 68 GLY HN 64 ALA MB 5.50 (# 2406:20 Unique 5.31, 6.77 A)
&rst
ixpk= 2406, nxpk= 20, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 967, 968, 969,
&end
#
# 64 ALA MB 69 VAL HB 3.50 (# 1493:20 Unique 2.45, 4.12 A)
&rst
ixpk= 1493, nxpk= 20, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 967, 968, 969,
&end
#
# 64 ALA MB 69 VAL HN 4.50 (# 558:10 Unique 3.67, 4.99 A)
&rst
ixpk= 558, nxpk= 10, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 967, 968, 969,
&end
#
# 64 ALA MB 69 VAL MGX 3.50 (# 1014:20 Unique 2.36, 5.70 A)
&rst
ixpk= 1014, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 967, 968, 969,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 69 VAL MGY 64 ALA MB 4.50 (# 2400:20 Unique 2.36, 5.70 A)
&rst
ixpk= 2400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1036,1037,1038,1040,1041,1042,
igr2= 967, 968, 969,
&end
#
# 70 MET HG+ 64 ALA MB 5.50 (# 2395:20 Unique 3.66, 5.45 A)
&rst
ixpk= 2395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1053,1054,
igr2= 967, 968, 969,
&end
#
# 65 GLY HA+ 65 GLY HN 2.80 (# 83:10 Unique 2.26, 2.56 A)
&rst
ixpk= 83, nxpk= 10, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 975, 976,
&end
#
# 66 LYS HB- 65 GLY HA+ 5.50 (# 2010:20 Unique 4.89, 5.73 A)
&rst
ixpk= 2010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 984, 985,
igr2= 975, 976,
&end
#
# 66 LYS HN 65 GLY HA+ 3.50 (# 2006:20 Unique 3.01, 3.32 A)
&rst
ixpk= 2006, nxpk= 20, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 975, 976,
&end
#
# 65 GLY HA+ 70 MET ME 5.50 (# 2369:20 Unique 3.12, 4.63 A)
&rst
ixpk= 2369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 975, 976,
igr2=1057,1058,1059,
&end
#
# 65 GLY HN 66 LYS HA 5.50 (# 191:20 Unique 5.24, 5.35 A)
&rst
ixpk= 191, nxpk= 20, iat= 973, 982, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 LYS HB- 65 GLY HN 5.50 (# 1342:10 Unique 4.53, 5.23 A)
&rst
ixpk= 1342, nxpk= 10, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 984, 985,
&end
#
# 65 GLY HN 66 LYS HN 2.80 (# 281:10 Unique 2.71, 2.80 A)
&rst
ixpk= 281, nxpk= 10, iat= 973, 980, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 66 LYS HA 66 LYS HB+ 3.50 (# 2800:20 Unique 2.56, 2.84 A)
&rst
ixpk= 2800, nxpk= 20, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 984, 985,
&end
#
# 66 LYS HA 66 LYS HB- 3.50 (# 2799:20 Unique 2.56, 2.84 A)
&rst
ixpk= 2799, nxpk= 20, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 984, 985,
&end
#
# 66 LYS HA 66 LYS HG+ 3.50 (# 1565:20 Unique 2.33, 2.71 A)
&rst
ixpk= 1565, nxpk= 20, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 987, 988,
&end
#
# 66 LYS HN 66 LYS HA 3.50 (# 190:20 Unique 2.80, 2.82 A)
&rst
ixpk= 190, nxpk= 20, iat= 980, 982, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 GLY HN 66 LYS HA 5.50 (# 189:20 Unique 4.04, 4.11 A)
&rst
ixpk= 189, nxpk= 20, iat=1023, 982, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 LYS HB+ 66 LYS HN 2.80 (# 289:10 Unique 2.09, 2.64 A)
&rst
ixpk= 289, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 984, 985,
&end
#
# 66 LYS HB+ 67 TYR HE 5.50 (# 583:20 Unique 2.92, 4.13 A)
&rst
ixpk= 583, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 984, 985,
igr2=1012,1017,
&end
#
# 66 LYS HB+ 67 TYR HN 3.50 (# 1039:10 Unique 2.47, 3.28 A)
&rst
ixpk= 1039, nxpk= 10, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 984, 985,
&end
#
# 66 LYS HB+ 83 VAL MGY 5.50 (# 2476:20 Unique 5.39, 7.70 A)
&rst
ixpk= 2476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 984, 985,
igr2=1256,1257,1258,1260,1261,1262,
&end
#
# 66 LYS HB- 66 LYS HN 2.80 (# 288:10 Unique 2.09, 2.64 A)
&rst
ixpk= 288, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 984, 985,
&end
#
# 66 LYS HB- 67 TYR HN 3.50 (# 1038:10 Unique 2.47, 3.28 A)
&rst
ixpk= 1038, nxpk= 10, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 984, 985,
&end
#
# 67 TYR HD 66 LYS HD+ 4.50 (# 3033:20 Unique 4.56, 5.91 A)
&rst
ixpk= 3033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1010,1019,
igr2= 990, 991,
&end
#
# 67 TYR HE 66 LYS HD+ 4.50 (# 3032:20 Unique 2.73, 4.51 A)
&rst
ixpk= 3032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1012,1017,
igr2= 990, 991,
&end
#
# 67 TYR HE 66 LYS HE+ 4.50 (# 1922:20 Unique 3.71, 5.85 A)
&rst
ixpk= 1922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1012,1017,
igr2= 993, 994,
&end
#
# 66 LYS HG+ 66 LYS HN 4.50 (# 291:10 Unique 2.43, 4.04 A)
&rst
ixpk= 291, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 987, 988,
&end
#
# 66 LYS HG+ 67 TYR HN 5.50 (# 1478:10 Unique 4.27, 4.86 A)
&rst
ixpk= 1478, nxpk= 10, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 987, 988,
&end
#
# 66 LYS HG- 66 LYS HN 5.50 (# 292:10 Unique 2.43, 4.04 A)
&rst
ixpk= 292, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 987, 988,
&end
#
# 66 LYS HN 67 TYR HN 2.80 (# 1030:10 Unique 2.55, 2.70 A)
&rst
ixpk= 1030, nxpk= 10, iat= 980,1002, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 68 GLY HN 66 LYS HN 5.50 (# 283:10 Unique 3.75, 4.03 A)
&rst
ixpk= 283, nxpk= 10, iat=1023, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 VAL HB 66 LYS HN 5.50 (# 295:10 Unique 5.51, 5.54 A)
&rst
ixpk= 295, nxpk= 10, iat=1034, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 TYR HA 67 TYR HB+ 3.50 (# 1788:20 Unique 2.30, 2.68 A)
&rst
ixpk= 1788, nxpk= 20, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1006,1007,
&end
#
# 67 TYR HB- 67 TYR HA 3.50 (# 2138:20 Unique 2.30, 2.68 A)
&rst
ixpk= 2138, nxpk= 20, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1006,1007,
&end
#
# 67 TYR HA 67 TYR HD 4.50 (# 3216:20 Unique 2.62, 3.70 A)
&rst
ixpk= 3216, nxpk= 20, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1010,1019,
&end
#
# 67 TYR HE 67 TYR HA 5.50 (# 2142:20 Unique 4.84, 5.57 A)
&rst
ixpk= 2142, nxpk= 20, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1012,1017,
&end
#
# 67 TYR HA 67 TYR HN 3.50 (# 1033:10 Unique 2.92, 2.97 A)
&rst
ixpk= 1033, nxpk= 10, iat=1004,1002, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 TYR HA 68 GLY HN 3.50 (# 1205:10 Unique 3.17, 3.28 A)
&rst
ixpk= 1205, nxpk= 10, iat=1004,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 VAL MGX 67 TYR HA 5.50 (# 2141:20 Unique 4.14, 6.55 A)
&rst
ixpk= 2141, nxpk= 20, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1036,1037,1038,1040,1041,1042,
&end
#
# 69 VAL MGY 67 TYR HA 4.50 (# 2140:20 Unique 4.14, 6.55 A)
&rst
ixpk= 2140, nxpk= 20, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1036,1037,1038,1040,1041,1042,
&end
#
# 67 TYR HB+ 67 TYR HD 4.50 (# 3215:20 Unique 2.29, 3.09 A)
&rst
ixpk= 3215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1006,1007,
igr2=1010,1019,
&end
#
# 67 TYR HE 67 TYR HB+ 5.50 (# 1790:20 Unique 4.57, 5.09 A)
&rst
ixpk= 1790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1012,1017,
igr2=1006,1007,
&end
#
# 67 TYR HB+ 67 TYR HN 2.80 (# 1037:10 Unique 2.45, 3.20 A)
&rst
ixpk= 1037, nxpk= 10, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1006,1007,
&end
#
# 67 TYR HB+ 68 GLY HN 5.50 (# 1207:10 Unique 3.47, 4.15 A)
&rst
ixpk= 1207, nxpk= 10, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1006,1007,
&end
#
# 67 TYR HB+ 69 VAL HN 5.50 (# 1500:10 Unique 2.78, 3.84 A)
&rst
ixpk= 1500, nxpk= 10, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1006,1007,
&end
#
# 67 TYR HB+ 69 VAL MGX 3.50 (# 1012:20 Unique 2.11, 4.44 A)
&rst
ixpk= 1012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1006,1007,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 69 VAL MGY 67 TYR HB+ 4.50 (# 1786:20 Unique 2.11, 4.44 A)
&rst
ixpk= 1786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1036,1037,1038,1040,1041,1042,
igr2=1006,1007,
&end
#
# 67 TYR HB- 67 TYR HD 4.50 (# 3180:20 Unique 2.29, 3.09 A)
&rst
ixpk= 3180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1006,1007,
igr2=1010,1019,
&end
#
# 67 TYR HE 67 TYR HB- 4.50 (# 733:20 Unique 4.57, 5.09 A)
&rst
ixpk= 733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1012,1017,
igr2=1006,1007,
&end
#
# 67 TYR HB- 67 TYR HN 3.50 (# 1036:10 Unique 2.45, 3.20 A)
&rst
ixpk= 1036, nxpk= 10, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1006,1007,
&end
#
# 67 TYR HB- 68 GLY HN 5.50 (# 1499:10 Unique 3.47, 4.15 A)
&rst
ixpk= 1499, nxpk= 10, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1006,1007,
&end
#
# 67 TYR HB- 69 VAL HN 5.50 (# 1501:10 Unique 2.78, 3.84 A)
&rst
ixpk= 1501, nxpk= 10, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1006,1007,
&end
#
# 67 TYR HB- 69 VAL MGX 4.50 (# 1010:20 Unique 2.11, 4.44 A)
&rst
ixpk= 1010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1006,1007,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 69 VAL MGY 67 TYR HB- 3.50 (# 727:20 Unique 2.11, 4.44 A)
&rst
ixpk= 727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1036,1037,1038,1040,1041,1042,
igr2=1006,1007,
&end
#
# 67 TYR HB- 76 LEU HG 4.50 (# 2594:20 Unique 4.23, 4.79 A)
&rst
ixpk= 2594, nxpk= 20, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1006,1007,
&end
#
# 67 TYR HB- 76 LEU MDY 5.50 (# 2689:20 Unique 2.30, 4.38 A)
&rst
ixpk= 2689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1006,1007,
igr2=1149,1150,1151,1153,1154,1155,
&end
#
# 67 TYR HB- 83 VAL MGY 5.50 (# 2474:20 Unique 3.67, 6.14 A)
&rst
ixpk= 2474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1006,1007,
igr2=1256,1257,1258,1260,1261,1262,
&end
#
# 67 TYR HD 67 TYR HE 2.80 (# 577:20 Unique 2.40, 3.71 A)
&rst
ixpk= 577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1010,1019,
igr2=1012,1017,
&end
#
# 67 TYR HD 76 LEU MDY 5.50 (# 2684:20 Unique 2.40, 4.78 A)
&rst
ixpk= 2684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1010,1019,
igr2=1149,1150,1151,1153,1154,1155,
&end
#
# 67 TYR HD 83 VAL MGY 3.50 (# 2469:20 Unique 2.13, 5.52 A)
&rst
ixpk= 2469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1010,1019,
igr2=1256,1257,1258,1260,1261,1262,
&end
#
# 67 TYR HE 67 TYR HN 5.50 (# 1032:10 Unique 3.99, 4.83 A)
&rst
ixpk= 1032, nxpk= 10, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1012,1017,
&end
#
# 67 TYR HE 69 VAL MGX 5.50 (# 1002:20 Unique 5.29, 7.61 A)
&rst
ixpk= 1002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1012,1017,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 67 TYR HE 76 LEU HB+ 5.50 (# 2935:20 Unique 4.79, 5.94 A)
&rst
ixpk= 2935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1012,1017,
igr2=1144,1145,
&end
#
# 67 TYR HE 76 LEU HB- 5.50 (# 2934:20 Unique 4.79, 5.94 A)
&rst
ixpk= 2934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1012,1017,
igr2=1144,1145,
&end
#
# 83 VAL HB 67 TYR HE 5.50 (# 582:20 Unique 2.33, 5.52 A)
&rst
ixpk= 582, nxpk= 20, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1012,1017,
&end
#
# 67 TYR HE 83 VAL MGY 3.50 (# 2470:20 Unique 2.26, 5.55 A)
&rst
ixpk= 2470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1012,1017,
igr2=1256,1257,1258,1260,1261,1262,
&end
#
# 67 TYR HN 68 GLY HN 2.80 (# 1204:10 Unique 2.03, 2.40 A)
&rst
ixpk= 1204, nxpk= 10, iat=1002,1023, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 VAL MGX 67 TYR HN 5.50 (# 1029:10 Unique 4.12, 5.80 A)
&rst
ixpk= 1029, nxpk= 10, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1036,1037,1038,1040,1041,1042,
&end
#
# 68 GLY HA+ 68 GLY HN 2.80 (# 1206:10 Unique 2.24, 2.56 A)
&rst
ixpk= 1206, nxpk= 10, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1025,1026,
&end
#
# 69 VAL HN 68 GLY HN 2.80 (# 1203:10 Unique 2.45, 2.64 A)
&rst
ixpk= 1203, nxpk= 10, iat=1030,1023, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 VAL MGX 68 GLY HN 5.50 (# 1208:10 Unique 4.20, 6.20 A)
&rst
ixpk= 1208, nxpk= 10, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1036,1037,1038,1040,1041,1042,
&end
#
# 69 VAL MGY 68 GLY HN 5.50 (# 1480:10 Unique 4.20, 6.20 A)
&rst
ixpk= 1480, nxpk= 10, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1036,1037,1038,1040,1041,1042,
&end
#
# 69 VAL HB 69 VAL HA 3.50 (# 110:20 Unique 3.02, 3.05 A)
&rst
ixpk= 110, nxpk= 20, iat=1034,1032, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 VAL HA 69 VAL HN 3.50 (# 562:10 Unique 2.96, 2.97 A)
&rst
ixpk= 562, nxpk= 10, iat=1032,1030, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 VAL HA 69 VAL MGX 3.50 (# 995:20 Unique 2.39, 3.17 A)
&rst
ixpk= 995, nxpk= 20, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 69 VAL HA 69 VAL MGY 3.50 (# 1208:20 Unique 2.39, 3.17 A)
&rst
ixpk= 1208, nxpk= 20, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 70 MET HA 69 VAL HA 4.50 (# 120:20 Unique 4.32, 4.38 A)
&rst
ixpk= 120, nxpk= 20, iat=1048,1032, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 MET HB+ 69 VAL HA 4.50 (# 109:20 Unique 4.42, 5.15 A)
&rst
ixpk= 109, nxpk= 20, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1050,1051,
&end
#
# 69 VAL HA 70 MET HN 2.80 (# 139:10 Unique 2.16, 2.20 A)
&rst
ixpk= 139, nxpk= 10, iat=1032,1046, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 VAL HA 71 SER HN 3.50 (# 997:10 Unique 2.91, 3.25 A)
&rst
ixpk= 997, nxpk= 10, iat=1032,1063, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 VAL HA 74 THR MG2 4.50 (# 1289:20 Unique 3.90, 5.26 A)
&rst
ixpk= 1289, nxpk= 20, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1113,1114,1115,
&end
#
# 69 VAL HB 69 VAL HN 2.80 (# 563:10 Unique 2.30, 2.34 A)
&rst
ixpk= 563, nxpk= 10, iat=1034,1030, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 VAL HB 69 VAL MGX 2.80 (# 1013:20 Unique 2.36, 2.66 A)
&rst
ixpk= 1013, nxpk= 20, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 69 VAL MGY 69 VAL HB 3.50 (# 1491:20 Unique 2.36, 2.66 A)
&rst
ixpk= 1491, nxpk= 20, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1036,1037,1038,1040,1041,1042,
&end
#
# 69 VAL MGX 69 VAL HN 2.80 (# 565:10 Unique 2.65, 4.06 A)
&rst
ixpk= 565, nxpk= 10, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1036,1037,1038,1040,1041,1042,
&end
#
# 69 VAL MGY 69 VAL HN 3.50 (# 564:10 Unique 2.65, 4.06 A)
&rst
ixpk= 564, nxpk= 10, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1036,1037,1038,1040,1041,1042,
&end
#
# 70 MET HN 69 VAL HN 5.50 (# 1422:10 Unique 3.61, 4.18 A)
&rst
ixpk= 1422, nxpk= 10, iat=1046,1030, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 VAL MGX 70 MET HN 4.50 (# 144:10 Unique 2.96, 4.63 A)
&rst
ixpk= 144, nxpk= 10, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1036,1037,1038,1040,1041,1042,
&end
#
# 71 SER HN 69 VAL MGX 5.50 (# 1006:20 Unique 2.48, 4.52 A)
&rst
ixpk= 1006, nxpk= 20, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 69 VAL MGX 72 ILE QG2 5.50 (# 1189:20 Unique 3.16, 6.29 A)
&rst
ixpk= 1189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1036,1037,1038,1040,1041,1042,
igr2=1080,1081,1082,
&end
#
# 74 THR HB 69 VAL MGX 4.50 (# 998:20 Unique 2.49, 4.00 A)
&rst
ixpk= 998, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 69 VAL MGX 74 THR MG2 3.50 (# 1294:20 Unique 2.19, 3.83 A)
&rst
ixpk= 1294, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1036,1037,1038,1040,1041,1042,
igr2=1113,1114,1115,
&end
#
# 69 VAL MGX 76 LEU HG 4.50 (# 2600:20 Unique 4.32, 6.02 A)
&rst
ixpk= 2600, nxpk= 20, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1036,1037,1038,1040,1041,1042,
&end
#
# 76 LEU MDY 69 VAL MGX 3.50 (# 1017:20 Unique 2.24, 5.43 A)
&rst
ixpk= 1017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1149,1150,1151,1153,1154,1155,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 69 VAL MGY 70 MET HA 5.50 (# 2308:20 Unique 3.18, 5.59 A)
&rst
ixpk= 2308, nxpk= 20, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1036,1037,1038,1040,1041,1042,
&end
#
# 69 VAL MGY 70 MET HN 3.50 (# 143:10 Unique 2.96, 4.63 A)
&rst
ixpk= 143, nxpk= 10, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1036,1037,1038,1040,1041,1042,
&end
#
# 69 VAL MGY 71 SER HN 2.80 (# 985:10 Unique 2.48, 4.52 A)
&rst
ixpk= 985, nxpk= 10, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1036,1037,1038,1040,1041,1042,
&end
#
# 74 THR HB 69 VAL MGY 3.50 (# 1207:20 Unique 2.49, 4.00 A)
&rst
ixpk= 1207, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 69 VAL MGY 74 THR MG2 2.80 (# 1293:20 Unique 2.19, 3.83 A)
&rst
ixpk= 1293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1036,1037,1038,1040,1041,1042,
igr2=1113,1114,1115,
&end
#
# 7 THR HA 8 ASP HN 2.80 (# 540:10 Unique 2.43, 2.50 A)
&rst
ixpk= 540, nxpk= 10, iat= 100, 112, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 THR HB 9 GLN HE2+ 4.50 (# 1047:10 Unique 2.14, 2.79 A)
&rst
ixpk= 1047, nxpk= 10, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 136, 137,
&end
#
# 7 THR HB 9 GLN HE2- 5.50 (# 1055:10 Unique 2.14, 2.79 A)
&rst
ixpk= 1055, nxpk= 10, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 136, 137,
&end
#
# 7 THR HB 9 GLN HN 4.50 (# 943:10 Unique 2.54, 2.79 A)
&rst
ixpk= 943, nxpk= 10, iat= 102, 124, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 THR HN 7 THR MG2 3.50 (# 1316:20 Unique 3.36, 4.09 A)
&rst
ixpk= 1316, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 104, 105, 106,
&end
#
# 7 THR HN 9 GLN HB+ 5.50 (# 1458:20 Unique 4.05, 5.32 A)
&rst
ixpk= 1458, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 128, 129,
&end
#
# 7 THR MG2 8 ASP HN 4.50 (# 544:10 Unique 4.04, 4.56 A)
&rst
ixpk= 544, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 104, 105, 106,
&end
#
# 9 GLN HB+ 7 THR MG2 4.50 (# 1322:20 Unique 4.84, 6.39 A)
&rst
ixpk= 1322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 128, 129,
igr2= 104, 105, 106,
&end
#
# 70 MET HB+ 70 MET HA 3.50 (# 2307:20 Unique 2.56, 2.83 A)
&rst
ixpk= 2307, nxpk= 20, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1050,1051,
&end
#
# 70 MET HB- 70 MET HA 3.50 (# 2306:20 Unique 2.56, 2.83 A)
&rst
ixpk= 2306, nxpk= 20, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1050,1051,
&end
#
# 70 MET HA 70 MET HG+ 4.50 (# 2866:20 Unique 2.28, 3.25 A)
&rst
ixpk= 2866, nxpk= 20, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1053,1054,
&end
#
# 70 MET HA 70 MET HG- 4.50 (# 2867:20 Unique 2.28, 3.25 A)
&rst
ixpk= 2867, nxpk= 20, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1053,1054,
&end
#
# 70 MET HA 70 MET HN 3.50 (# 138:10 Unique 2.85, 2.92 A)
&rst
ixpk= 138, nxpk= 10, iat=1048,1046, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 SER HN 70 MET HA 4.50 (# 2301:20 Unique 2.74, 2.86 A)
&rst
ixpk= 2301, nxpk= 20, iat=1063,1048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 70 MET HG- 70 MET HB+ 2.80 (# 1779:20 Unique 2.33, 2.60 A)
&rst
ixpk= 1779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1053,1054,
igr2=1050,1051,
&end
#
# 70 MET HB+ 70 MET HN 3.50 (# 142:10 Unique 2.47, 3.28 A)
&rst
ixpk= 142, nxpk= 10, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1050,1051,
&end
#
# 70 MET HB- 70 MET HG- 2.80 (# 2869:20 Unique 2.33, 2.60 A)
&rst
ixpk= 2869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1050,1051,
igr2=1053,1054,
&end
#
# 70 MET HB- 70 MET HN 4.50 (# 141:10 Unique 2.47, 3.28 A)
&rst
ixpk= 141, nxpk= 10, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1050,1051,
&end
#
# 70 MET HB- 71 SER HB+ 5.50 (# 95:20 Unique 4.80, 6.31 A)
&rst
ixpk= 95, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1050,1051,
igr2=1067,1068,
&end
#
# 70 MET HB- 71 SER HN 4.50 (# 983:10 Unique 4.07, 4.37 A)
&rst
ixpk= 983, nxpk= 10, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1050,1051,
&end
#
# 70 MET HG+ 70 MET HN 4.50 (# 136:10 Unique 3.45, 4.43 A)
&rst
ixpk= 136, nxpk= 10, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1053,1054,
&end
#
# 70 MET HG- 70 MET HN 4.50 (# 140:10 Unique 3.45, 4.43 A)
&rst
ixpk= 140, nxpk= 10, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1053,1054,
&end
#
# 70 MET HN 71 SER HN 2.80 (# 979:10 Unique 1.80, 2.17 A)
&rst
ixpk= 979, nxpk= 10, iat=1046,1063, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 71 SER HA 71 SER HB+ 2.80 (# 94:20 Unique 2.34, 2.74 A)
&rst
ixpk= 94, nxpk= 20, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1067,1068,
&end
#
# 71 SER HA 71 SER HN 2.80 (# 981:10 Unique 2.89, 2.90 A)
&rst
ixpk= 981, nxpk= 10, iat=1065,1063, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 71 SER HA 72 ILE HN 2.80 (# 870:10 Unique 2.27, 2.37 A)
&rst
ixpk= 870, nxpk= 10, iat=1065,1074, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 71 SER HN 71 SER HB+ 3.50 (# 92:20 Unique 2.80, 3.38 A)
&rst
ixpk= 92, nxpk= 20, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1067,1068,
&end
#
# 71 SER HB+ 72 ILE HN 2.80 (# 871:10 Unique 2.62, 3.33 A)
&rst
ixpk= 871, nxpk= 10, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1067,1068,
&end
#
# 88 VAL MGX 71 SER HB+ 4.50 (# 97:20 Unique 3.14, 5.48 A)
&rst
ixpk= 97, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1328,1329,1330,1332,1333,1334,
igr2=1067,1068,
&end
#
# 71 SER HB+ 88 VAL MGY 4.50 (# 1360:20 Unique 3.14, 5.48 A)
&rst
ixpk= 1360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1067,1068,
igr2=1328,1329,1330,1332,1333,1334,
&end
#
# 71 SER HN 72 ILE HN 5.50 (# 1529:10 Unique 4.18, 4.28 A)
&rst
ixpk= 1529, nxpk= 10, iat=1063,1074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 SER HN 72 ILE QG2 5.50 (# 1195:20 Unique 3.08, 4.31 A)
&rst
ixpk= 1195, nxpk= 20, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1080,1081,1082,
&end
#
# 74 THR MG2 71 SER HN 5.50 (# 1455:10 Unique 4.86, 5.95 A)
&rst
ixpk= 1455, nxpk= 10, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1113,1114,1115,
&end
#
# 88 VAL QG 71 SER QB 5.5 (# 3:2536:20)
&rst
ixpk= 3, nxpk= 2536, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1328,1329,1330,1332,1333,1334,
igr2=1067,1068,
&end
#
# 72 ILE HB 72 ILE HN 4.50 (# 872:10 Unique 3.77, 3.84 A)
&rst
ixpk= 872, nxpk= 10, iat=1078,1074, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 ILE QD1 72 ILE HB 3.50 (# 1846:20 Unique 2.48, 3.76 A)
&rst
ixpk= 1846, nxpk= 20, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1087,1088,1089,
&end
#
# 72 ILE QG2 72 ILE HB 2.80 (# 1855:20 Unique 2.32, 2.63 A)
&rst
ixpk= 1855, nxpk= 20, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1080,1081,1082,
&end
#
# 73 PRO HA 72 ILE HB 4.50 (# 1843:20 Unique 2.01, 2.12 A)
&rst
ixpk= 1843, nxpk= 20, iat=1103,1078, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 ILE HG1+ 72 ILE HN 3.50 (# 873:10 Unique 2.33, 3.37 A)
&rst
ixpk= 873, nxpk= 10, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1084,1085,
&end
#
# 72 ILE QD1 72 ILE HG1+ 3.50 (# 1548:20 Unique 2.32, 2.65 A)
&rst
ixpk= 1548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1087,1088,1089,
igr2=1084,1085,
&end
#
# 72 ILE HG1+ 72 ILE QG2 4.50 (# 1186:20 Unique 2.42, 3.57 A)
&rst
ixpk= 1186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1084,1085,
igr2=1080,1081,1082,
&end
#
# 72 ILE HN 72 ILE HG1- 3.50 (# 2696:20 Unique 2.33, 3.37 A)
&rst
ixpk= 2696, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1084,1085,
&end
#
# 72 ILE QD1 72 ILE HG1- 3.50 (# 2702:20 Unique 2.32, 2.65 A)
&rst
ixpk= 2702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1087,1088,1089,
igr2=1084,1085,
&end
#
# 72 ILE HN 72 ILE QD1 4.50 (# 950:20 Unique 1.92, 3.54 A)
&rst
ixpk= 950, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1087,1088,1089,
&end
#
# 72 ILE QG2 72 ILE HN 4.50 (# 875:10 Unique 3.22, 4.10 A)
&rst
ixpk= 875, nxpk= 10, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1080,1081,1082,
&end
#
# 72 ILE QD1 72 ILE QG2 2.80 (# 1188:20 Unique 2.22, 3.72 A)
&rst
ixpk= 1188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1087,1088,1089,
igr2=1080,1081,1082,
&end
#
# 72 ILE QD1 73 PRO HA 5.50 (# 435:20 Unique 4.20, 5.69 A)
&rst
ixpk= 435, nxpk= 20, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1087,1088,1089,
&end
#
# 72 ILE QG2 73 PRO HA 4.50 (# 433:20 Unique 3.00, 4.06 A)
&rst
ixpk= 433, nxpk= 20, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1080,1081,1082,
&end
#
# 74 THR HB 72 ILE QG2 5.50 (# 1182:20 Unique 2.23, 4.20 A)
&rst
ixpk= 1182, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1080,1081,1082,
&end
#
# 72 ILE QG2 74 THR HN 3.50 (# 576:10 Unique 2.65, 4.35 A)
&rst
ixpk= 576, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1080,1081,1082,
&end
#
# 73 PRO HA 73 PRO HB+ 3.50 (# 1772:20 Unique 2.25, 2.55 A)
&rst
ixpk= 1772, nxpk= 20, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1100,1101,
&end
#
# 73 PRO HA 73 PRO HB- 3.50 (# 896:20 Unique 2.25, 2.55 A)
&rst
ixpk= 896, nxpk= 20, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1100,1101,
&end
#
# 73 PRO HA 73 PRO HG+ 5.50 (# 1537:20 Unique 3.15, 3.86 A)
&rst
ixpk= 1537, nxpk= 20, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1097,1098,
&end
#
# 73 PRO HA 74 THR HN 2.80 (# 568:10 Unique 2.20, 2.26 A)
&rst
ixpk= 568, nxpk= 10, iat=1103,1107, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 PRO HB+ 74 THR HN 4.50 (# 546:10 Unique 3.03, 3.53 A)
&rst
ixpk= 546, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1100,1101,
&end
#
# 73 PRO HB+ 75 LEU MDX 3.50 (# 2748:20 Unique 3.54, 5.72 A)
&rst
ixpk= 2748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1100,1101,
igr2=1130,1131,1132,1134,1135,1136,
&end
#
# 73 PRO HB+ 89 GLY HA+ 5.50 (# 672:20 Unique 3.68, 5.87 A)
&rst
ixpk= 672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1100,1101,
igr2=1340,1341,
&end
#
# 73 PRO HB- 73 PRO HD+ 4.50 (# 327:20 Unique 2.93, 3.73 A)
&rst
ixpk= 327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1100,1101,
igr2=1094,1095,
&end
#
# 73 PRO HB- 73 PRO HD- 4.50 (# 402:20 Unique 2.93, 3.73 A)
&rst
ixpk= 402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1100,1101,
igr2=1094,1095,
&end
#
# 73 PRO HB- 73 PRO HG+ 3.50 (# 1544:20 Unique 2.33, 2.62 A)
&rst
ixpk= 1544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1100,1101,
igr2=1097,1098,
&end
#
# 73 PRO HB- 74 THR HN 4.50 (# 572:10 Unique 3.03, 3.53 A)
&rst
ixpk= 572, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1100,1101,
&end
#
# 73 PRO HG+ 73 PRO HD+ 3.50 (# 397:20 Unique 2.30, 2.61 A)
&rst
ixpk= 397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1097,1098,
igr2=1094,1095,
&end
#
# 89 GLY HN 73 PRO HD+ 5.50 (# 332:20 Unique 3.07, 4.58 A)
&rst
ixpk= 332, nxpk= 20, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1094,1095,
&end
#
# 73 PRO HD- 73 PRO HG+ 3.50 (# 1542:20 Unique 2.30, 2.61 A)
&rst
ixpk= 1542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1094,1095,
igr2=1097,1098,
&end
#
# 89 GLY HN 73 PRO HD- 5.50 (# 403:20 Unique 3.07, 4.58 A)
&rst
ixpk= 403, nxpk= 20, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1094,1095,
&end
#
# 73 PRO HG+ 89 GLY HA+ 4.50 (# 673:20 Unique 2.64, 4.71 A)
&rst
ixpk= 673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1097,1098,
igr2=1340,1341,
&end
#
# 73 PRO HG+ 89 GLY HA- 5.50 (# 1993:20 Unique 2.64, 4.71 A)
&rst
ixpk= 1993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1097,1098,
igr2=1340,1341,
&end
#
# 73 PRO HG+ 89 GLY HN 4.50 (# 1098:10 Unique 3.02, 4.71 A)
&rst
ixpk= 1098, nxpk= 10, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1097,1098,
&end
#
# 90 PHE HA 73 PRO HG+ 4.50 (# 1541:20 Unique 2.46, 3.42 A)
&rst
ixpk= 1541, nxpk= 20, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1097,1098,
&end
#
# 73 PRO HG+ 90 PHE HN 5.50 (# 1425:10 Unique 3.05, 3.92 A)
&rst
ixpk= 1425, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1097,1098,
&end
#
# 88 VAL QG 73 PRO QD 5.5 (# 2:2536:20)
&rst
ixpk= 2, nxpk= 2536, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1328,1329,1330,1332,1333,1334,
igr2=1094,1095,
&end
#
# 74 THR HA 74 THR HB 4.50 (# 5:20 Unique 3.04, 3.05 A)
&rst
ixpk= 5, nxpk= 20, iat=1109,1111, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 THR HA 74 THR HN 3.50 (# 569:10 Unique 2.94, 2.95 A)
&rst
ixpk= 569, nxpk= 10, iat=1109,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 THR HA 74 THR MG2 3.50 (# 1285:20 Unique 2.51, 3.22 A)
&rst
ixpk= 1285, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1113,1114,1115,
&end
#
# 74 THR HA 75 LEU HG 5.50 (# 1526:20 Unique 3.31, 3.63 A)
&rst
ixpk= 1526, nxpk= 20, iat=1109,1128, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 THR HA 75 LEU HN 2.80 (# 71:10 Unique 2.16, 2.21 A)
&rst
ixpk= 71, nxpk= 10, iat=1109,1121, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 74 THR HA 87 SER HN 5.50 (# 1526:10 Unique 4.46, 4.60 A)
&rst
ixpk= 1526, nxpk= 10, iat=1109,1311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 VAL HA 74 THR HA 3.50 (# 424:20 Unique 2.19, 2.29 A)
&rst
ixpk= 424, nxpk= 20, iat=1324,1109, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 THR HA 88 VAL HN 5.50 (# 1261:10 Unique 4.80, 4.83 A)
&rst
ixpk= 1261, nxpk= 10, iat=1109,1322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 THR HA 88 VAL MGX 4.50 (# 2534:20 Unique 3.27, 4.69 A)
&rst
ixpk= 2534, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1328,1329,1330,1332,1333,1334,
&end
#
# 88 VAL MGY 74 THR HA 4.50 (# 429:20 Unique 3.27, 4.69 A)
&rst
ixpk= 429, nxpk= 20, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1328,1329,1330,1332,1333,1334,
&end
#
# 74 THR HA 89 GLY HN 3.50 (# 1093:10 Unique 2.76, 3.24 A)
&rst
ixpk= 1093, nxpk= 10, iat=1109,1338, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 THR HB 74 THR HN 3.50 (# 570:10 Unique 2.65, 2.74 A)
&rst
ixpk= 570, nxpk= 10, iat=1111,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 THR HB 74 THR MG2 2.80 (# 1290:20 Unique 2.35, 2.66 A)
&rst
ixpk= 1290, nxpk= 20, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1113,1114,1115,
&end
#
# 74 THR HB 75 LEU HN 5.50 (# 1345:10 Unique 4.05, 4.20 A)
&rst
ixpk= 1345, nxpk= 10, iat=1111,1121, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 THR MG2 74 THR HN 5.50 (# 575:10 Unique 4.35, 4.71 A)
&rst
ixpk= 575, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1113,1114,1115,
&end
#
# 75 LEU HN 74 THR HN 5.50 (# 1300:10 Unique 4.19, 4.26 A)
&rst
ixpk= 1300, nxpk= 10, iat=1121,1107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LEU HA 74 THR MG2 5.50 (# 1281:20 Unique 4.23, 5.13 A)
&rst
ixpk= 1281, nxpk= 20, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1113,1114,1115,
&end
#
# 75 LEU HB- 74 THR MG2 4.50 (# 1291:20 Unique 4.83, 6.25 A)
&rst
ixpk= 1291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1125,1126,
igr2=1113,1114,1115,
&end
#
# 74 THR MG2 75 LEU HN 2.80 (# 75:10 Unique 2.42, 3.40 A)
&rst
ixpk= 75, nxpk= 10, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1113,1114,1115,
&end
#
# 76 LEU HA 74 THR MG2 4.50 (# 1283:20 Unique 4.52, 5.42 A)
&rst
ixpk= 1283, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1113,1114,1115,
&end
#
# 76 LEU HB+ 74 THR MG2 4.50 (# 1292:20 Unique 4.29, 6.25 A)
&rst
ixpk= 1292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1144,1145,
igr2=1113,1114,1115,
&end
#
# 76 LEU HN 74 THR MG2 5.50 (# 1276:20 Unique 4.03, 5.17 A)
&rst
ixpk= 1276, nxpk= 20, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1113,1114,1115,
&end
#
# 88 VAL HA 74 THR MG2 4.50 (# 1287:20 Unique 2.24, 4.00 A)
&rst
ixpk= 1287, nxpk= 20, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1113,1114,1115,
&end
#
# 75 LEU HA 75 LEU HB+ 3.50 (# 2971:20 Unique 2.43, 2.76 A)
&rst
ixpk= 2971, nxpk= 20, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1125,1126,
&end
#
# 75 LEU HA 75 LEU HB- 4.50 (# 2978:20 Unique 2.43, 2.76 A)
&rst
ixpk= 2978, nxpk= 20, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1125,1126,
&end
#
# 75 LEU HG 75 LEU HA 3.50 (# 594:20 Unique 2.50, 3.12 A)
&rst
ixpk= 594, nxpk= 20, iat=1128,1123, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 LEU HA 75 LEU HN 3.50 (# 70:10 Unique 2.98, 2.99 A)
&rst
ixpk= 70, nxpk= 10, iat=1123,1121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 LEU HA 75 LEU MDX 3.50 (# 2752:20 Unique 2.25, 3.86 A)
&rst
ixpk= 2752, nxpk= 20, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1130,1131,1132,1134,1135,1136,
&end
#
# 75 LEU HA 76 LEU HN 2.80 (# 522:10 Unique 2.10, 2.14 A)
&rst
ixpk= 522, nxpk= 10, iat=1123,1140, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 75 LEU HB+ 75 LEU HN 3.50 (# 74:10 Unique 2.36, 3.12 A)
&rst
ixpk= 74, nxpk= 10, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1125,1126,
&end
#
# 75 LEU MDX 75 LEU HB+ 3.50 (# 2967:20 Unique 2.41, 3.33 A)
&rst
ixpk= 2967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1130,1131,1132,1134,1135,1136,
igr2=1125,1126,
&end
#
# 76 LEU HN 75 LEU HB+ 4.50 (# 2972:20 Unique 3.51, 4.09 A)
&rst
ixpk= 2972, nxpk= 20, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1125,1126,
&end
#
# 87 SER HB- 75 LEU HB+ 4.50 (# 2970:20 Unique 2.14, 3.90 A)
&rst
ixpk= 2970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1315,1316,
igr2=1125,1126,
&end
#
# 75 LEU HB+ 87 SER HN 5.50 (# 1482:10 Unique 3.04, 3.99 A)
&rst
ixpk= 1482, nxpk= 10, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1125,1126,
&end
#
# 75 LEU HB- 75 LEU HN 2.80 (# 73:10 Unique 2.36, 3.12 A)
&rst
ixpk= 73, nxpk= 10, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1125,1126,
&end
#
# 75 LEU MDX 75 LEU HB- 2.80 (# 2983:20 Unique 2.41, 3.33 A)
&rst
ixpk= 2983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1130,1131,1132,1134,1135,1136,
igr2=1125,1126,
&end
#
# 76 LEU HN 75 LEU HB- 5.50 (# 2977:20 Unique 3.51, 4.09 A)
&rst
ixpk= 2977, nxpk= 20, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1125,1126,
&end
#
# 75 LEU HB- 87 SER HB+ 3.50 (# 135:20 Unique 2.14, 3.90 A)
&rst
ixpk= 135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1125,1126,
igr2=1315,1316,
&end
#
# 75 LEU HB- 87 SER HB- 3.50 (# 123:20 Unique 2.14, 3.90 A)
&rst
ixpk= 123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1125,1126,
igr2=1315,1316,
&end
#
# 75 LEU HB- 87 SER HN 4.50 (# 492:10 Unique 3.04, 3.99 A)
&rst
ixpk= 492, nxpk= 10, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1125,1126,
&end
#
# 75 LEU HN 75 LEU HG 4.50 (# 1522:20 Unique 2.74, 3.00 A)
&rst
ixpk= 1522, nxpk= 20, iat=1121,1128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 LEU HG 75 LEU MDX 2.80 (# 2747:20 Unique 2.38, 2.65 A)
&rst
ixpk= 2747, nxpk= 20, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1130,1131,1132,1134,1135,1136,
&end
#
# 75 LEU HN 75 LEU MDX 4.50 (# 2755:20 Unique 3.71, 4.84 A)
&rst
ixpk= 2755, nxpk= 20, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1130,1131,1132,1134,1135,1136,
&end
#
# 75 LEU HN 76 LEU HN 5.50 (# 1419:10 Unique 3.96, 4.11 A)
&rst
ixpk= 1419, nxpk= 10, iat=1121,1140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 SER HB+ 75 LEU HN 5.50 (# 1346:10 Unique 3.17, 4.07 A)
&rst
ixpk= 1346, nxpk= 10, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1315,1316,
&end
#
# 87 SER HB- 75 LEU HN 4.50 (# 1347:10 Unique 3.17, 4.07 A)
&rst
ixpk= 1347, nxpk= 10, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1315,1316,
&end
#
# 75 LEU HN 87 SER HN 3.50 (# 487:10 Unique 2.70, 2.86 A)
&rst
ixpk= 487, nxpk= 10, iat=1121,1311, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 VAL HA 75 LEU HN 4.50 (# 72:10 Unique 3.40, 3.51 A)
&rst
ixpk= 72, nxpk= 10, iat=1324,1121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 LEU HN 88 VAL MGX 5.50 (# 2583:20 Unique 4.12, 5.83 A)
&rst
ixpk= 2583, nxpk= 20, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1328,1329,1330,1332,1333,1334,
&end
#
# 88 VAL MGY 75 LEU HN 4.50 (# 76:10 Unique 4.12, 5.83 A)
&rst
ixpk= 76, nxpk= 10, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1328,1329,1330,1332,1333,1334,
&end
#
# 75 LEU HN 89 GLY HN 5.50 (# 1536:10 Unique 4.59, 5.01 A)
&rst
ixpk= 1536, nxpk= 10, iat=1121,1338, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LEU MDX 76 LEU HN 4.50 (# 514:10 Unique 3.82, 5.73 A)
&rst
ixpk= 514, nxpk= 10, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1130,1131,1132,1134,1135,1136,
&end
#
# 76 LEU HA 76 LEU HB+ 3.50 (# 2932:20 Unique 2.61, 2.86 A)
&rst
ixpk= 2932, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1144,1145,
&end
#
# 76 LEU HB- 76 LEU HA 3.50 (# 528:20 Unique 2.61, 2.86 A)
&rst
ixpk= 528, nxpk= 20, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1144,1145,
&end
#
# 76 LEU HA 76 LEU MDY 3.50 (# 2686:20 Unique 2.21, 3.49 A)
&rst
ixpk= 2686, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1149,1150,1151,1153,1154,1155,
&end
#
# 76 LEU HA 77 VAL HN 2.80 (# 453:10 Unique 2.21, 2.27 A)
&rst
ixpk= 453, nxpk= 10, iat=1142,1159, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 76 LEU HA 83 VAL MGX 4.50 (# 1378:20 Unique 4.00, 6.10 A)
&rst
ixpk= 1378, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1256,1257,1258,1260,1261,1262,
&end
#
# 76 LEU HA 86 THR HB 5.50 (# 19:20 Unique 4.95, 5.09 A)
&rst
ixpk= 19, nxpk= 20, iat=1142,1301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 LEU HA 86 THR MG2 4.50 (# 2566:20 Unique 3.70, 4.76 A)
&rst
ixpk= 2566, nxpk= 20, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1303,1304,1305,
&end
#
# 87 SER HN 76 LEU HA 4.50 (# 526:20 Unique 3.34, 3.65 A)
&rst
ixpk= 526, nxpk= 20, iat=1311,1142, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 LEU HB+ 76 LEU HN 4.50 (# 518:10 Unique 2.10, 2.87 A)
&rst
ixpk= 518, nxpk= 10, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1144,1145,
&end
#
# 76 LEU HB+ 76 LEU MDY 3.50 (# 2692:20 Unique 2.33, 3.45 A)
&rst
ixpk= 2692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1144,1145,
igr2=1149,1150,1151,1153,1154,1155,
&end
#
# 76 LEU HB+ 77 VAL HN 3.50 (# 458:10 Unique 2.73, 3.70 A)
&rst
ixpk= 458, nxpk= 10, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1144,1145,
&end
#
# 76 LEU HB- 76 LEU HN 2.80 (# 517:10 Unique 2.10, 2.87 A)
&rst
ixpk= 517, nxpk= 10, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1144,1145,
&end
#
# 77 VAL HN 76 LEU HB- 5.50 (# 2936:20 Unique 2.73, 3.70 A)
&rst
ixpk= 2936, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1144,1145,
&end
#
# 76 LEU HN 76 LEU MDY 4.50 (# 2682:20 Unique 2.81, 4.54 A)
&rst
ixpk= 2682, nxpk= 20, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1149,1150,1151,1153,1154,1155,
&end
#
# 77 VAL HN 76 LEU HN 5.50 (# 1420:10 Unique 4.56, 4.59 A)
&rst
ixpk= 1420, nxpk= 10, iat=1159,1140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 VAL HN 76 LEU MDY 4.50 (# 2683:20 Unique 2.80, 4.84 A)
&rst
ixpk= 2683, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1149,1150,1151,1153,1154,1155,
&end
#
# 83 VAL HB 76 LEU MDY 4.50 (# 2690:20 Unique 2.57, 5.92 A)
&rst
ixpk= 2690, nxpk= 20, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1149,1150,1151,1153,1154,1155,
&end
#
# 86 THR HB 76 LEU MDY 4.50 (# 2688:20 Unique 4.23, 5.48 A)
&rst
ixpk= 2688, nxpk= 20, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1149,1150,1151,1153,1154,1155,
&end
#
# 76 LEU MDY 87 SER HN 3.50 (# 494:10 Unique 3.05, 5.50 A)
&rst
ixpk= 494, nxpk= 10, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1149,1150,1151,1153,1154,1155,
&end
#
# 77 VAL HA 77 VAL HB 4.50 (# 2795:20 Unique 3.00, 3.02 A)
&rst
ixpk= 2795, nxpk= 20, iat=1161,1163, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 VAL HA 77 VAL HN 3.50 (# 454:10 Unique 2.99, 3.01 A)
&rst
ixpk= 454, nxpk= 10, iat=1161,1159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 VAL HA 77 VAL MGX 3.50 (# 1225:20 Unique 2.35, 3.14 A)
&rst
ixpk= 1225, nxpk= 20, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 77 VAL HA 77 VAL MGY 3.50 (# 2505:20 Unique 2.35, 3.14 A)
&rst
ixpk= 2505, nxpk= 20, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 77 VAL HA 78 LEU HN 2.80 (# 43:10 Unique 2.02, 2.06 A)
&rst
ixpk= 43, nxpk= 10, iat=1161,1175, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 77 VAL HA 78 LEU MDX 4.50 (# 2611:20 Unique 3.06, 5.65 A)
&rst
ixpk= 2611, nxpk= 20, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 77 VAL HB 77 VAL HN 2.80 (# 457:10 Unique 2.64, 2.76 A)
&rst
ixpk= 457, nxpk= 10, iat=1163,1159, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 77 VAL MGX 77 VAL HB 2.80 (# 2796:20 Unique 2.44, 2.67 A)
&rst
ixpk= 2796, nxpk= 20, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1165,1166,1167,1169,1170,1171,
&end
#
# 77 VAL MGY 77 VAL HB 2.80 (# 2797:20 Unique 2.44, 2.67 A)
&rst
ixpk= 2797, nxpk= 20, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1165,1166,1167,1169,1170,1171,
&end
#
# 84 VAL MGX 77 VAL HB 3.50 (# 2798:20 Unique 2.22, 4.67 A)
&rst
ixpk= 2798, nxpk= 20, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1272,1273,1274,1276,1277,1278,
&end
#
# 85 GLU HN 77 VAL HB 3.50 (# 2793:20 Unique 2.58, 2.77 A)
&rst
ixpk= 2793, nxpk= 20, iat=1282,1163, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 VAL HN 77 VAL MGX 4.50 (# 1221:20 Unique 2.66, 4.18 A)
&rst
ixpk= 1221, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 77 VAL HN 77 VAL MGY 3.50 (# 2508:20 Unique 2.66, 4.18 A)
&rst
ixpk= 2508, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 77 VAL HN 78 LEU HN 5.50 (# 1327:10 Unique 4.01, 4.15 A)
&rst
ixpk= 1327, nxpk= 10, iat=1159,1175, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 VAL HN 78 LEU MDX 5.50 (# 2618:20 Unique 3.50, 5.75 A)
&rst
ixpk= 2618, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 77 VAL HN 83 VAL MGX 4.50 (# 1375:20 Unique 3.15, 5.50 A)
&rst
ixpk= 1375, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1256,1257,1258,1260,1261,1262,
&end
#
# 83 VAL MGY 77 VAL HN 5.50 (# 1290:10 Unique 3.15, 5.50 A)
&rst
ixpk= 1290, nxpk= 10, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1256,1257,1258,1260,1261,1262,
&end
#
# 77 VAL HN 84 VAL HN 5.50 (# 1404:10 Unique 3.79, 3.91 A)
&rst
ixpk= 1404, nxpk= 10, iat=1159,1266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 VAL HN 84 VAL MGX 4.50 (# 962:20 Unique 4.10, 6.24 A)
&rst
ixpk= 962, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 77 VAL HN 85 GLU HB+ 4.50 (# 1662:20 Unique 3.19, 4.07 A)
&rst
ixpk= 1662, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1286,1287,
&end
#
# 85 GLU HB- 77 VAL HN 5.50 (# 456:10 Unique 3.19, 4.07 A)
&rst
ixpk= 456, nxpk= 10, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1286,1287,
&end
#
# 77 VAL HN 85 GLU HN 2.80 (# 743:10 Unique 2.83, 2.89 A)
&rst
ixpk= 743, nxpk= 10, iat=1159,1282, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 77 VAL MGX 78 LEU HN 3.50 (# 42:10 Unique 2.99, 4.49 A)
&rst
ixpk= 42, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1165,1166,1167,1169,1170,1171,
&end
#
# 77 VAL MGX 79 LYS HB+ 5.50 (# 1062:20 Unique 3.52, 7.98 A)
&rst
ixpk= 1062, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1165,1166,1167,1169,1170,1171,
igr2=1198,1199,
&end
#
# 84 VAL HN 77 VAL MGX 4.50 (# 1217:20 Unique 4.38, 5.87 A)
&rst
ixpk= 1217, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 84 VAL MGX 77 VAL MGX 2.80 (# 1234:20 Unique 2.67, 6.14 A)
&rst
ixpk= 1234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1272,1273,1274,1276,1277,1278,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 85 GLU HB- 77 VAL MGX 3.50 (# 1232:20 Unique 2.59, 4.44 A)
&rst
ixpk= 1232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1286,1287,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 85 GLU HG+ 77 VAL MGX 5.50 (# 1231:20 Unique 3.75, 5.79 A)
&rst
ixpk= 1231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1289,1290,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 78 LEU HN 77 VAL MGY 4.50 (# 2509:20 Unique 2.99, 4.49 A)
&rst
ixpk= 2509, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 77 VAL MGY 85 GLU HB+ 3.50 (# 1655:20 Unique 2.59, 4.44 A)
&rst
ixpk= 1655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1165,1166,1167,1169,1170,1171,
igr2=1286,1287,
&end
#
# 85 GLU HB- 77 VAL MGY 3.50 (# 2502:20 Unique 2.59, 4.44 A)
&rst
ixpk= 2502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1286,1287,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 85 GLU HG+ 77 VAL MGY 4.50 (# 2501:20 Unique 3.75, 5.79 A)
&rst
ixpk= 2501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1289,1290,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 78 LEU HA 78 LEU HB+ 3.50 (# 2759:20 Unique 2.40, 2.76 A)
&rst
ixpk= 2759, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1179,1180,
&end
#
# 78 LEU HA 78 LEU HB- 4.50 (# 2933:20 Unique 2.40, 2.76 A)
&rst
ixpk= 2933, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1179,1180,
&end
#
# 78 LEU HA 78 LEU HG 3.50 (# 1084:20 Unique 2.44, 2.55 A)
&rst
ixpk= 1084, nxpk= 20, iat=1177,1182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 LEU HA 78 LEU HN 3.50 (# 37:10 Unique 2.96, 2.97 A)
&rst
ixpk= 37, nxpk= 10, iat=1177,1175, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 LEU HA 78 LEU MDY 3.50 (# 2613:20 Unique 2.87, 4.35 A)
&rst
ixpk= 2613, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 78 LEU HA 79 LYS HB- 5.50 (# 1675:20 Unique 4.26, 5.07 A)
&rst
ixpk= 1675, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1198,1199,
&end
#
# 78 LEU HA 79 LYS HN 2.80 (# 596:10 Unique 2.31, 2.35 A)
&rst
ixpk= 596, nxpk= 10, iat=1177,1194, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 78 LEU HA 81 GLY HN 5.50 (# 1525:10 Unique 5.17, 5.29 A)
&rst
ixpk= 1525, nxpk= 10, iat=1177,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 LEU HA 82 GLU HN 4.50 (# 478:10 Unique 4.39, 4.52 A)
&rst
ixpk= 478, nxpk= 10, iat=1177,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 VAL HA 78 LEU HA 3.50 (# 516:20 Unique 2.09, 2.25 A)
&rst
ixpk= 516, nxpk= 20, iat=1252,1177, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 VAL HN 78 LEU HA 4.50 (# 514:20 Unique 4.37, 4.48 A)
&rst
ixpk= 514, nxpk= 20, iat=1250,1177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 LEU HA 83 VAL MGX 4.50 (# 1379:20 Unique 4.03, 5.35 A)
&rst
ixpk= 1379, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1256,1257,1258,1260,1261,1262,
&end
#
# 78 LEU HA 83 VAL MGY 4.50 (# 2471:20 Unique 4.03, 5.35 A)
&rst
ixpk= 2471, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1256,1257,1258,1260,1261,1262,
&end
#
# 78 LEU HA 84 VAL HN 3.50 (# 435:10 Unique 2.62, 2.74 A)
&rst
ixpk= 435, nxpk= 10, iat=1177,1266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 LEU HA 84 VAL MGX 4.50 (# 958:20 Unique 2.52, 4.26 A)
&rst
ixpk= 958, nxpk= 20, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 84 VAL MGY 78 LEU HA 4.50 (# 521:20 Unique 2.52, 4.26 A)
&rst
ixpk= 521, nxpk= 20, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1272,1273,1274,1276,1277,1278,
&end
#
# 78 LEU HA 85 GLU HN 4.50 (# 744:10 Unique 4.11, 4.17 A)
&rst
ixpk= 744, nxpk= 10, iat=1177,1282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 LEU HN 78 LEU HB+ 4.50 (# 2757:20 Unique 2.51, 3.24 A)
&rst
ixpk= 2757, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1179,1180,
&end
#
# 78 LEU MDY 78 LEU HB+ 2.80 (# 2763:20 Unique 2.34, 3.29 A)
&rst
ixpk= 2763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1184,1185,1186,1188,1189,1190,
igr2=1179,1180,
&end
#
# 79 LYS HN 78 LEU HB+ 4.50 (# 2756:20 Unique 2.59, 3.20 A)
&rst
ixpk= 2756, nxpk= 20, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1179,1180,
&end
#
# 78 LEU HB+ 81 GLY HN 4.50 (# 58:10 Unique 3.34, 4.42 A)
&rst
ixpk= 58, nxpk= 10, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1179,1180,
&end
#
# 82 GLU HN 78 LEU HB+ 5.50 (# 2945:20 Unique 3.53, 4.42 A)
&rst
ixpk= 2945, nxpk= 20, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1179,1180,
&end
#
# 83 VAL HA 78 LEU HB+ 4.50 (# 2760:20 Unique 3.27, 4.00 A)
&rst
ixpk= 2760, nxpk= 20, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1179,1180,
&end
#
# 78 LEU HB- 78 LEU HN 3.50 (# 40:10 Unique 2.51, 3.24 A)
&rst
ixpk= 40, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1179,1180,
&end
#
# 78 LEU HB- 79 LYS HN 4.50 (# 600:10 Unique 2.59, 3.20 A)
&rst
ixpk= 600, nxpk= 10, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1179,1180,
&end
#
# 83 VAL HA 78 LEU HB- 4.50 (# 2948:20 Unique 3.27, 4.00 A)
&rst
ixpk= 2948, nxpk= 20, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1179,1180,
&end
#
# 78 LEU HN 78 LEU HG 4.50 (# 1081:20 Unique 3.52, 3.74 A)
&rst
ixpk= 1081, nxpk= 20, iat=1175,1182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 LYS HN 78 LEU HG 4.50 (# 1083:20 Unique 3.73, 4.36 A)
&rst
ixpk= 1083, nxpk= 20, iat=1194,1182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 VAL HA 78 LEU HG 3.50 (# 1085:20 Unique 2.02, 2.12 A)
&rst
ixpk= 1085, nxpk= 20, iat=1252,1182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 LEU HG 83 VAL HB 4.50 (# 2837:20 Unique 2.40, 3.68 A)
&rst
ixpk= 2837, nxpk= 20, iat=1182,1254, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 VAL HN 78 LEU HG 5.50 (# 1082:20 Unique 3.52, 3.70 A)
&rst
ixpk= 1082, nxpk= 20, iat=1266,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 LEU HN 78 LEU MDX 3.50 (# 2625:20 Unique 2.60, 4.54 A)
&rst
ixpk= 2625, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 78 LEU HN 84 VAL MGX 5.50 (# 966:20 Unique 3.94, 5.86 A)
&rst
ixpk= 966, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 81 GLY HA+ 78 LEU MDY 4.50 (# 2607:20 Unique 4.03, 7.40 A)
&rst
ixpk= 2607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1230,1231,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 78 LEU MDY 81 GLY HA- 4.50 (# 2004:20 Unique 4.03, 7.40 A)
&rst
ixpk= 2004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1184,1185,1186,1188,1189,1190,
igr2=1230,1231,
&end
#
# 81 GLY HN 78 LEU MDY 5.50 (# 2624:20 Unique 4.33, 6.63 A)
&rst
ixpk= 2624, nxpk= 20, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 78 LEU MDY 82 GLU HA 4.50 (# 2284:20 Unique 3.12, 5.71 A)
&rst
ixpk= 2284, nxpk= 20, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1184,1185,1186,1188,1189,1190,
&end
#
# 78 LEU MDY 82 GLU HN 5.50 (# 496:10 Unique 4.08, 6.28 A)
&rst
ixpk= 496, nxpk= 10, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1184,1185,1186,1188,1189,1190,
&end
#
# 78 LEU MDY 83 VAL HA 3.50 (# 89:20 Unique 2.54, 4.24 A)
&rst
ixpk= 89, nxpk= 20, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1184,1185,1186,1188,1189,1190,
&end
#
# 78 LEU MDY 83 VAL HN 4.50 (# 228:10 Unique 2.82, 5.22 A)
&rst
ixpk= 228, nxpk= 10, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1184,1185,1186,1188,1189,1190,
&end
#
# 84 VAL HN 78 LEU MDY 5.50 (# 2623:20 Unique 3.62, 5.79 A)
&rst
ixpk= 2623, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 79 LYS HA 79 LYS HB+ 3.50 (# 1055:20 Unique 2.30, 2.74 A)
&rst
ixpk= 1055, nxpk= 20, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1198,1199,
&end
#
# 79 LYS HA 79 LYS HB- 3.50 (# 1674:20 Unique 2.30, 2.74 A)
&rst
ixpk= 1674, nxpk= 20, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1198,1199,
&end
#
# 79 LYS HA 79 LYS HD+ 4.50 (# 1519:20 Unique 3.07, 4.00 A)
&rst
ixpk= 1519, nxpk= 20, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1204,1205,
&end
#
# 79 LYS HA 79 LYS HG+ 3.50 (# 1571:20 Unique 2.12, 3.09 A)
&rst
ixpk= 1571, nxpk= 20, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1201,1202,
&end
#
# 79 LYS HA 79 LYS HN 3.50 (# 597:10 Unique 2.87, 2.94 A)
&rst
ixpk= 597, nxpk= 10, iat=1196,1194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 LYS HA 80 ASP HA 4.50 (# 2085:20 Unique 4.22, 4.30 A)
&rst
ixpk= 2085, nxpk= 20, iat=1196,1218, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 LYS HA 80 ASP HN 2.80 (# 21:10 Unique 2.06, 2.15 A)
&rst
ixpk= 21, nxpk= 10, iat=1196,1216, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 79 LYS HA 81 GLY HN 4.50 (# 52:10 Unique 3.70, 3.88 A)
&rst
ixpk= 52, nxpk= 10, iat=1196,1228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 LYS HE+ 79 LYS HB+ 5.50 (# 1058:20 Unique 2.10, 3.99 A)
&rst
ixpk= 1058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1207,1208,
igr2=1198,1199,
&end
#
# 79 LYS HN 79 LYS HB+ 4.50 (# 1056:20 Unique 2.66, 3.39 A)
&rst
ixpk= 1056, nxpk= 20, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1198,1199,
&end
#
# 79 LYS HB+ 80 ASP HN 4.50 (# 26:10 Unique 2.88, 3.76 A)
&rst
ixpk= 26, nxpk= 10, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1198,1199,
&end
#
# 84 VAL MGX 79 LYS HB+ 4.50 (# 1063:20 Unique 2.44, 5.11 A)
&rst
ixpk= 1063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1272,1273,1274,1276,1277,1278,
igr2=1198,1199,
&end
#
# 84 VAL MGY 79 LYS HB+ 3.50 (# 1060:20 Unique 2.44, 5.11 A)
&rst
ixpk= 1060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1272,1273,1274,1276,1277,1278,
igr2=1198,1199,
&end
#
# 79 LYS HE+ 79 LYS HB- 4.50 (# 1673:20 Unique 2.10, 3.99 A)
&rst
ixpk= 1673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1207,1208,
igr2=1198,1199,
&end
#
# 79 LYS HB- 79 LYS HN 3.50 (# 599:10 Unique 2.66, 3.39 A)
&rst
ixpk= 599, nxpk= 10, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1198,1199,
&end
#
# 80 ASP HN 79 LYS HB- 5.50 (# 1677:20 Unique 2.88, 3.76 A)
&rst
ixpk= 1677, nxpk= 20, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1198,1199,
&end
#
# 79 LYS HB- 84 VAL MGX 3.50 (# 970:20 Unique 2.44, 5.11 A)
&rst
ixpk= 970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1198,1199,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 79 LYS HN 79 LYS HD+ 5.50 (# 1520:20 Unique 3.50, 4.31 A)
&rst
ixpk= 1520, nxpk= 20, iat=1194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1204,1205,
&end
#
# 84 VAL MGX 79 LYS HD+ 4.50 (# 1513:20 Unique 2.15, 4.01 A)
&rst
ixpk= 1513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1272,1273,1274,1276,1277,1278,
igr2=1204,1205,
&end
#
# 84 VAL MGY 79 LYS HD+ 3.50 (# 1512:20 Unique 2.15, 4.01 A)
&rst
ixpk= 1512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1272,1273,1274,1276,1277,1278,
igr2=1204,1205,
&end
#
# 79 LYS HG+ 79 LYS HE+ 3.50 (# 1946:20 Unique 2.55, 3.54 A)
&rst
ixpk= 1946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1201,1202,
igr2=1207,1208,
&end
#
# 79 LYS HG- 79 LYS HE+ 3.50 (# 1945:20 Unique 2.55, 3.54 A)
&rst
ixpk= 1945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1201,1202,
igr2=1207,1208,
&end
#
# 79 LYS HG+ 80 ASP HA 5.50 (# 2089:20 Unique 5.81, 6.24 A)
&rst
ixpk= 2089, nxpk= 20, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1201,1202,
&end
#
# 84 VAL MGX 79 LYS HG+ 4.50 (# 1569:20 Unique 2.61, 5.31 A)
&rst
ixpk= 1569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1272,1273,1274,1276,1277,1278,
igr2=1201,1202,
&end
#
# 84 VAL MGX 79 LYS HG- 4.50 (# 1568:20 Unique 2.61, 5.31 A)
&rst
ixpk= 1568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1272,1273,1274,1276,1277,1278,
igr2=1201,1202,
&end
#
# 79 LYS HN 80 ASP HN 5.50 (# 1319:10 Unique 4.06, 4.19 A)
&rst
ixpk= 1319, nxpk= 10, iat=1194,1216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 LYS HN 81 GLY HN 5.50 (# 1333:10 Unique 3.19, 3.35 A)
&rst
ixpk= 1333, nxpk= 10, iat=1194,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 GLU HN 79 LYS HN 2.80 (# 595:10 Unique 2.68, 2.81 A)
&rst
ixpk= 595, nxpk= 10, iat=1235,1194, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 79 LYS HN 83 VAL HA 4.50 (# 76:20 Unique 3.91, 4.01 A)
&rst
ixpk= 76, nxpk= 20, iat=1194,1252, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 LYS HN 84 VAL HN 5.50 (# 1405:10 Unique 4.44, 4.54 A)
&rst
ixpk= 1405, nxpk= 10, iat=1194,1266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 VAL MGX 79 LYS HN 3.50 (# 603:10 Unique 3.24, 4.65 A)
&rst
ixpk= 603, nxpk= 10, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1272,1273,1274,1276,1277,1278,
&end
#
# 84 VAL MGY 79 LYS HN 3.50 (# 593:10 Unique 3.24, 4.65 A)
&rst
ixpk= 593, nxpk= 10, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1272,1273,1274,1276,1277,1278,
&end
#
# 8 ASP HB+ 8 ASP HA 3.50 (# 2134:20 Unique 2.20, 2.49 A)
&rst
ixpk= 2134, nxpk= 20, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 116, 117,
&end
#
# 8 ASP HA 8 ASP HN 2.80 (# 541:10 Unique 2.78, 2.81 A)
&rst
ixpk= 541, nxpk= 10, iat= 114, 112, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 8 ASP HA 9 GLN HN 5.50 (# 951:10 Unique 3.27, 3.43 A)
&rst
ixpk= 951, nxpk= 10, iat= 114, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ASP HN 8 ASP HB+ 3.50 (# 1901:20 Unique 2.00, 2.76 A)
&rst
ixpk= 1901, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 116, 117,
&end
#
# 9 GLN HA 8 ASP HB+ 5.50 (# 1904:20 Unique 4.86, 5.52 A)
&rst
ixpk= 1904, nxpk= 20, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 116, 117,
&end
#
# 9 GLN HN 8 ASP HB+ 4.50 (# 1900:20 Unique 3.49, 4.14 A)
&rst
ixpk= 1900, nxpk= 20, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 116, 117,
&end
#
# 8 ASP HN 9 GLN HB+ 5.50 (# 1460:20 Unique 4.83, 5.76 A)
&rst
ixpk= 1460, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 128, 129,
&end
#
# 8 ASP HN 9 GLN HN 3.50 (# 949:10 Unique 2.65, 2.80 A)
&rst
ixpk= 949, nxpk= 10, iat= 112, 124, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 ASP HB+ 80 ASP HA 3.50 (# 2088:20 Unique 2.44, 2.75 A)
&rst
ixpk= 2088, nxpk= 20, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1220,1221,
&end
#
# 80 ASP HA 80 ASP HB- 3.50 (# 3124:20 Unique 2.44, 2.75 A)
&rst
ixpk= 3124, nxpk= 20, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1220,1221,
&end
#
# 80 ASP HA 80 ASP HN 2.80 (# 22:10 Unique 2.16, 2.20 A)
&rst
ixpk= 22, nxpk= 10, iat=1218,1216, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 81 GLY HA+ 80 ASP HA 5.50 (# 2086:20 Unique 4.47, 4.65 A)
&rst
ixpk= 2086, nxpk= 20, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1230,1231,
&end
#
# 81 GLY HN 80 ASP HA 3.50 (# 2083:20 Unique 2.95, 3.31 A)
&rst
ixpk= 2083, nxpk= 20, iat=1228,1218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 ASP HB+ 80 ASP HN 5.50 (# 24:10 Unique 2.74, 3.25 A)
&rst
ixpk= 24, nxpk= 10, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1220,1221,
&end
#
# 80 ASP HB- 80 ASP HN 4.50 (# 23:10 Unique 2.74, 3.25 A)
&rst
ixpk= 23, nxpk= 10, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1220,1221,
&end
#
# 80 ASP HB- 81 GLY HN 5.50 (# 1334:10 Unique 3.23, 4.05 A)
&rst
ixpk= 1334, nxpk= 10, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1220,1221,
&end
#
# 80 ASP HN 81 GLY HN 3.50 (# 53:10 Unique 2.99, 3.18 A)
&rst
ixpk= 53, nxpk= 10, iat=1216,1228, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 GLY HA+ 81 GLY HN 2.80 (# 57:10 Unique 2.39, 2.78 A)
&rst
ixpk= 57, nxpk= 10, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1230,1231,
&end
#
# 81 GLY HA+ 82 GLU HN 3.50 (# 481:10 Unique 3.26, 3.42 A)
&rst
ixpk= 481, nxpk= 10, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1230,1231,
&end
#
# 81 GLY HA- 81 GLY HN 2.80 (# 55:10 Unique 2.39, 2.78 A)
&rst
ixpk= 55, nxpk= 10, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1230,1231,
&end
#
# 81 GLY HA- 82 GLU HN 3.50 (# 480:10 Unique 3.26, 3.42 A)
&rst
ixpk= 480, nxpk= 10, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1230,1231,
&end
#
# 81 GLY HN 82 GLU HN 3.50 (# 476:10 Unique 1.77, 2.00 A)
&rst
ixpk= 476, nxpk= 10, iat=1228,1235, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 VAL MGX 81 GLY HN 5.50 (# 27:10 Unique 5.98, 7.66 A)
&rst
ixpk= 27, nxpk= 10, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1272,1273,1274,1276,1277,1278,
&end
#
# 82 GLU HA 82 GLU HB+ 3.50 (# 2812:20 Unique 2.36, 2.46 A)
&rst
ixpk= 2812, nxpk= 20, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1239,1240,
&end
#
# 82 GLU HA 82 GLU HB- 3.50 (# 3009:20 Unique 2.36, 2.46 A)
&rst
ixpk= 3009, nxpk= 20, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1239,1240,
&end
#
# 82 GLU HG+ 82 GLU HA 4.50 (# 2289:20 Unique 2.54, 3.74 A)
&rst
ixpk= 2289, nxpk= 20, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1242,1243,
&end
#
# 82 GLU HG- 82 GLU HA 3.50 (# 2290:20 Unique 2.54, 3.74 A)
&rst
ixpk= 2290, nxpk= 20, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1242,1243,
&end
#
# 82 GLU HA 82 GLU HN 3.50 (# 479:10 Unique 2.93, 2.94 A)
&rst
ixpk= 479, nxpk= 10, iat=1237,1235, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 GLU HA 83 VAL HN 2.80 (# 222:10 Unique 2.18, 2.24 A)
&rst
ixpk= 222, nxpk= 10, iat=1237,1250, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 82 GLU HA 83 VAL MGY 4.50 (# 2472:20 Unique 3.58, 5.66 A)
&rst
ixpk= 2472, nxpk= 20, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1256,1257,1258,1260,1261,1262,
&end
#
# 82 GLU HB+ 82 GLU HN 2.80 (# 495:10 Unique 2.54, 3.35 A)
&rst
ixpk= 495, nxpk= 10, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1239,1240,
&end
#
# 83 VAL HN 82 GLU HB+ 3.50 (# 2811:20 Unique 2.80, 3.50 A)
&rst
ixpk= 2811, nxpk= 20, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1239,1240,
&end
#
# 84 VAL MGY 82 GLU HB+ 4.50 (# 2813:20 Unique 3.21, 7.12 A)
&rst
ixpk= 2813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1272,1273,1274,1276,1277,1278,
igr2=1239,1240,
&end
#
# 82 GLU HB- 82 GLU HN 2.80 (# 483:10 Unique 2.54, 3.35 A)
&rst
ixpk= 483, nxpk= 10, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1239,1240,
&end
#
# 82 GLU HN 82 GLU HG+ 3.50 (# 834:20 Unique 2.27, 2.89 A)
&rst
ixpk= 834, nxpk= 20, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1242,1243,
&end
#
# 82 GLU HG+ 83 VAL HN 4.50 (# 224:10 Unique 3.78, 4.44 A)
&rst
ixpk= 224, nxpk= 10, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1242,1243,
&end
#
# 84 VAL MGY 82 GLU HG+ 4.50 (# 838:20 Unique 2.65, 5.58 A)
&rst
ixpk= 838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1272,1273,1274,1276,1277,1278,
igr2=1242,1243,
&end
#
# 82 GLU HN 82 GLU HG- 3.50 (# 835:20 Unique 2.27, 2.89 A)
&rst
ixpk= 835, nxpk= 20, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1242,1243,
&end
#
# 83 VAL HN 82 GLU HG- 4.50 (# 833:20 Unique 3.78, 4.44 A)
&rst
ixpk= 833, nxpk= 20, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1242,1243,
&end
#
# 84 VAL MGY 82 GLU HG- 4.50 (# 839:20 Unique 2.65, 5.58 A)
&rst
ixpk= 839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1272,1273,1274,1276,1277,1278,
igr2=1242,1243,
&end
#
# 83 VAL HN 82 GLU HN 4.50 (# 1413:10 Unique 4.37, 4.42 A)
&rst
ixpk= 1413, nxpk= 10, iat=1250,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 VAL HA 83 VAL HB 3.50 (# 2832:20 Unique 2.33, 2.74 A)
&rst
ixpk= 2832, nxpk= 20, iat=1252,1254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 VAL HA 83 VAL HN 3.50 (# 223:10 Unique 2.88, 2.91 A)
&rst
ixpk= 223, nxpk= 10, iat=1252,1250, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 VAL HA 83 VAL MGX 3.50 (# 1380:20 Unique 2.44, 3.37 A)
&rst
ixpk= 1380, nxpk= 20, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1256,1257,1258,1260,1261,1262,
&end
#
# 83 VAL HA 83 VAL MGY 2.80 (# 2473:20 Unique 2.44, 3.37 A)
&rst
ixpk= 2473, nxpk= 20, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1256,1257,1258,1260,1261,1262,
&end
#
# 83 VAL HA 84 VAL HA 4.50 (# 2178:20 Unique 4.38, 4.40 A)
&rst
ixpk= 2178, nxpk= 20, iat=1252,1268, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 VAL HA 84 VAL HN 2.80 (# 438:10 Unique 2.04, 2.07 A)
&rst
ixpk= 438, nxpk= 10, iat=1252,1266, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 83 VAL HA 84 VAL MGX 4.50 (# 955:20 Unique 3.66, 4.91 A)
&rst
ixpk= 955, nxpk= 20, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 83 VAL HA 85 GLU HN 3.50 (# 747:10 Unique 3.60, 3.62 A)
&rst
ixpk= 747, nxpk= 10, iat=1252,1282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 VAL HB 83 VAL HN 2.80 (# 225:10 Unique 2.43, 2.61 A)
&rst
ixpk= 225, nxpk= 10, iat=1254,1250, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 83 VAL MGY 83 VAL HB 2.80 (# 2838:20 Unique 2.35, 2.65 A)
&rst
ixpk= 2838, nxpk= 20, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1256,1257,1258,1260,1261,1262,
&end
#
# 83 VAL HB 84 VAL HN 4.50 (# 1409:10 Unique 3.88, 3.99 A)
&rst
ixpk= 1409, nxpk= 10, iat=1254,1266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 VAL MGX 83 VAL HN 3.50 (# 227:10 Unique 1.86, 3.69 A)
&rst
ixpk= 227, nxpk= 10, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1256,1257,1258,1260,1261,1262,
&end
#
# 83 VAL MGY 83 VAL HN 2.80 (# 226:10 Unique 1.86, 3.69 A)
&rst
ixpk= 226, nxpk= 10, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1256,1257,1258,1260,1261,1262,
&end
#
# 84 VAL HN 83 VAL HN 4.50 (# 1365:10 Unique 4.52, 4.53 A)
&rst
ixpk= 1365, nxpk= 10, iat=1266,1250, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 VAL MGX 84 VAL HN 2.80 (# 440:10 Unique 2.65, 4.17 A)
&rst
ixpk= 440, nxpk= 10, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1256,1257,1258,1260,1261,1262,
&end
#
# 83 VAL MGX 85 GLU HN 2.80 (# 750:10 Unique 2.73, 4.76 A)
&rst
ixpk= 750, nxpk= 10, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1256,1257,1258,1260,1261,1262,
&end
#
# 83 VAL MGY 84 VAL HN 4.50 (# 439:10 Unique 2.65, 4.17 A)
&rst
ixpk= 439, nxpk= 10, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1256,1257,1258,1260,1261,1262,
&end
#
# 85 GLU HN 83 VAL MGY 5.50 (# 2468:20 Unique 2.73, 4.76 A)
&rst
ixpk= 2468, nxpk= 20, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1256,1257,1258,1260,1261,1262,
&end
#
# 84 VAL HB 84 VAL HA 2.80 (# 2180:20 Unique 2.47, 2.51 A)
&rst
ixpk= 2180, nxpk= 20, iat=1270,1268, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 84 VAL HA 84 VAL HN 3.50 (# 437:10 Unique 2.94, 2.97 A)
&rst
ixpk= 437, nxpk= 10, iat=1268,1266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 VAL HA 84 VAL MGX 3.50 (# 956:20 Unique 2.28, 3.48 A)
&rst
ixpk= 956, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 84 VAL HA 85 GLU HN 3.50 (# 746:10 Unique 3.54, 3.56 A)
&rst
ixpk= 746, nxpk= 10, iat=1268,1282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 VAL HB 84 VAL HN 4.50 (# 1408:10 Unique 2.24, 3.63 A)
&rst
ixpk= 1408, nxpk= 10, iat=1270,1266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 VAL HB 84 VAL MGX 2.80 (# 968:20 Unique 2.34, 2.65 A)
&rst
ixpk= 968, nxpk= 20, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 84 VAL MGY 84 VAL HB 2.80 (# 1644:20 Unique 2.34, 2.65 A)
&rst
ixpk= 1644, nxpk= 20, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1272,1273,1274,1276,1277,1278,
&end
#
# 84 VAL HB 85 GLU HN 4.50 (# 786:10 Unique 3.05, 3.70 A)
&rst
ixpk= 786, nxpk= 10, iat=1270,1282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 VAL MGX 84 VAL HN 2.80 (# 441:10 Unique 2.40, 3.54 A)
&rst
ixpk= 441, nxpk= 10, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1272,1273,1274,1276,1277,1278,
&end
#
# 84 VAL HN 84 VAL MGY 3.50 (# 1371:20 Unique 2.40, 3.54 A)
&rst
ixpk= 1371, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 84 VAL HN 85 GLU HN 2.80 (# 742:10 Unique 1.82, 1.86 A)
&rst
ixpk= 742, nxpk= 10, iat=1266,1282, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 84 VAL MGX 85 GLU HB+ 4.50 (# 1654:20 Unique 2.49, 5.69 A)
&rst
ixpk= 1654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1272,1273,1274,1276,1277,1278,
igr2=1286,1287,
&end
#
# 85 GLU HG+ 84 VAL MGX 4.50 (# 967:20 Unique 2.87, 6.56 A)
&rst
ixpk= 967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1289,1290,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 84 VAL MGX 85 GLU HG- 4.50 (# 1734:20 Unique 2.87, 6.56 A)
&rst
ixpk= 1734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1272,1273,1274,1276,1277,1278,
igr2=1289,1290,
&end
#
# 84 VAL MGX 85 GLU HN 2.80 (# 752:10 Unique 2.30, 4.15 A)
&rst
ixpk= 752, nxpk= 10, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1272,1273,1274,1276,1277,1278,
&end
#
# 85 GLU HA 85 GLU HB+ 4.50 (# 1659:20 Unique 2.52, 2.84 A)
&rst
ixpk= 1659, nxpk= 20, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1286,1287,
&end
#
# 85 GLU HB- 85 GLU HA 4.50 (# 2316:20 Unique 2.52, 2.84 A)
&rst
ixpk= 2316, nxpk= 20, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1286,1287,
&end
#
# 85 GLU HA 85 GLU HG+ 4.50 (# 1742:20 Unique 2.45, 3.31 A)
&rst
ixpk= 1742, nxpk= 20, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1289,1290,
&end
#
# 85 GLU HA 85 GLU HN 3.50 (# 745:10 Unique 2.93, 2.97 A)
&rst
ixpk= 745, nxpk= 10, iat=1284,1282, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 GLU HA 86 THR HB 4.50 (# 17:20 Unique 4.19, 4.38 A)
&rst
ixpk= 17, nxpk= 20, iat=1284,1301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 GLU HA 86 THR HN 2.80 (# 791:10 Unique 2.25, 2.32 A)
&rst
ixpk= 791, nxpk= 10, iat=1284,1297, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 85 GLU HG+ 85 GLU HB+ 3.50 (# 1658:20 Unique 2.35, 2.58 A)
&rst
ixpk= 1658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1289,1290,
igr2=1286,1287,
&end
#
# 85 GLU HN 85 GLU HB+ 4.50 (# 1660:20 Unique 2.81, 3.25 A)
&rst
ixpk= 1660, nxpk= 20, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1286,1287,
&end
#
# 85 GLU HB+ 86 THR HN 3.50 (# 795:10 Unique 2.43, 3.46 A)
&rst
ixpk= 795, nxpk= 10, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1286,1287,
&end
#
# 99 LEU MDY 85 GLU HB+ 4.50 (# 1656:20 Unique 3.09, 5.87 A)
&rst
ixpk= 1656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1508,1509,1510,1512,1513,1514,
igr2=1286,1287,
&end
#
# 85 GLU HB- 86 THR HN 3.50 (# 794:10 Unique 2.43, 3.46 A)
&rst
ixpk= 794, nxpk= 10, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1286,1287,
&end
#
# 85 GLU HB- 99 LEU MDY 3.50 (# 2652:20 Unique 3.09, 5.87 A)
&rst
ixpk= 2652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1286,1287,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 85 GLU HG+ 86 THR HN 5.50 (# 818:10 Unique 2.29, 3.86 A)
&rst
ixpk= 818, nxpk= 10, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1289,1290,
&end
#
# 85 GLU HG+ 99 LEU MDX 4.50 (# 2662:20 Unique 2.50, 5.58 A)
&rst
ixpk= 2662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1289,1290,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 99 LEU MDY 85 GLU HG+ 4.50 (# 1739:20 Unique 2.50, 5.58 A)
&rst
ixpk= 1739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1508,1509,1510,1512,1513,1514,
igr2=1289,1290,
&end
#
# 85 GLU HG- 86 THR HN 4.50 (# 793:10 Unique 2.29, 3.86 A)
&rst
ixpk= 793, nxpk= 10, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1289,1290,
&end
#
# 85 GLU HN 86 THR HN 5.50 (# 817:10 Unique 4.43, 4.48 A)
&rst
ixpk= 817, nxpk= 10, iat=1282,1297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 THR HB 86 THR HN 2.80 (# 792:10 Unique 2.71, 2.78 A)
&rst
ixpk= 792, nxpk= 10, iat=1301,1297, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 86 THR MG2 86 THR HB 2.80 (# 15:20 Unique 2.37, 2.65 A)
&rst
ixpk= 15, nxpk= 20, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1303,1304,1305,
&end
#
# 86 THR HB 87 SER HN 4.50 (# 489:10 Unique 4.14, 4.20 A)
&rst
ixpk= 489, nxpk= 10, iat=1301,1311, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 THR MG2 86 THR HN 4.50 (# 796:10 Unique 4.39, 4.76 A)
&rst
ixpk= 796, nxpk= 10, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1303,1304,1305,
&end
#
# 86 THR HN 87 SER HN 5.50 (# 1528:10 Unique 4.05, 4.19 A)
&rst
ixpk= 1528, nxpk= 10, iat=1297,1311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 SER HN 86 THR MG2 3.50 (# 2565:20 Unique 2.79, 3.57 A)
&rst
ixpk= 2565, nxpk= 20, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1303,1304,1305,
&end
#
# 88 VAL HN 86 THR MG2 5.50 (# 2564:20 Unique 3.25, 5.45 A)
&rst
ixpk= 2564, nxpk= 20, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1303,1304,1305,
&end
#
# 87 SER HA 88 VAL HN 2.80 (# 1:10 Unique 2.20, 2.33 A)
&rst
ixpk= 1, nxpk= 10, iat=1313,1322, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 87 SER HA 88 VAL MGY 4.50 (# 1359:20 Unique 3.25, 5.55 A)
&rst
ixpk= 1359, nxpk= 20, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1328,1329,1330,1332,1333,1334,
&end
#
# 87 SER HB+ 87 SER HN 3.50 (# 491:10 Unique 2.58, 3.25 A)
&rst
ixpk= 491, nxpk= 10, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1315,1316,
&end
#
# 87 SER HB+ 88 VAL HN 4.50 (# 2:10 Unique 2.80, 3.63 A)
&rst
ixpk= 2, nxpk= 10, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1315,1316,
&end
#
# 91 LYS HG+ 87 SER HB+ 5.50 (# 134:20 Unique 3.44, 5.39 A)
&rst
ixpk= 134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1372,1373,
igr2=1315,1316,
&end
#
# 99 LEU MDX 87 SER HB+ 3.50 (# 130:20 Unique 3.13, 5.56 A)
&rst
ixpk= 130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1508,1509,1510,1512,1513,1514,
igr2=1315,1316,
&end
#
# 87 SER HB+ 99 LEU MDY 4.50 (# 2649:20 Unique 3.13, 5.56 A)
&rst
ixpk= 2649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1315,1316,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 87 SER HB- 87 SER HN 2.80 (# 490:10 Unique 2.58, 3.25 A)
&rst
ixpk= 490, nxpk= 10, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1315,1316,
&end
#
# 87 SER HB- 88 VAL HN 5.50 (# 6:10 Unique 2.80, 3.63 A)
&rst
ixpk= 6, nxpk= 10, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1315,1316,
&end
#
# 87 SER HB- 96 LEU MDY 4.50 (# 2480:20 Unique 3.81, 6.69 A)
&rst
ixpk= 2480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1315,1316,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 87 SER HB- 99 LEU MDX 4.50 (# 2660:20 Unique 3.13, 5.56 A)
&rst
ixpk= 2660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1315,1316,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 87 SER HB- 99 LEU MDY 4.50 (# 2648:20 Unique 3.13, 5.56 A)
&rst
ixpk= 2648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1315,1316,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 87 SER HN 88 VAL HN 5.50 (# 1263:10 Unique 3.88, 4.27 A)
&rst
ixpk= 1263, nxpk= 10, iat=1311,1322, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 SER HN 88 VAL MGY 4.50 (# 1353:20 Unique 4.20, 6.17 A)
&rst
ixpk= 1353, nxpk= 20, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1328,1329,1330,1332,1333,1334,
&end
#
# 88 VAL QG 87 SER QB 4.5 (# 1:2536:20)
&rst
ixpk= 1, nxpk= 2536, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1328,1329,1330,1332,1333,1334,
igr2=1315,1316,
&end
#
# 88 VAL HA 88 VAL MGX 3.50 (# 2535:20 Unique 2.52, 3.18 A)
&rst
ixpk= 2535, nxpk= 20, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1328,1329,1330,1332,1333,1334,
&end
#
# 88 VAL HA 88 VAL MGY 3.50 (# 1357:20 Unique 2.52, 3.18 A)
&rst
ixpk= 1357, nxpk= 20, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1328,1329,1330,1332,1333,1334,
&end
#
# 88 VAL HA 89 GLY HA+ 4.50 (# 669:20 Unique 4.44, 4.52 A)
&rst
ixpk= 669, nxpk= 20, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1340,1341,
&end
#
# 88 VAL HA 89 GLY HN 2.80 (# 1094:10 Unique 2.21, 2.25 A)
&rst
ixpk= 1094, nxpk= 10, iat=1324,1338, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 88 VAL HB 88 VAL HN 2.80 (# 3:10 Unique 2.41, 2.63 A)
&rst
ixpk= 3, nxpk= 10, iat=1326,1322, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 88 VAL HB 88 VAL MGY 2.80 (# 1361:20 Unique 2.44, 2.67 A)
&rst
ixpk= 1361, nxpk= 20, iat=1326, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1328,1329,1330,1332,1333,1334,
&end
#
# 88 VAL MGX 88 VAL HN 4.50 (# 5:10 Unique 2.26, 4.13 A)
&rst
ixpk= 5, nxpk= 10, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1328,1329,1330,1332,1333,1334,
&end
#
# 88 VAL MGY 88 VAL HN 2.80 (# 4:10 Unique 2.26, 4.13 A)
&rst
ixpk= 4, nxpk= 10, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1328,1329,1330,1332,1333,1334,
&end
#
# 88 VAL HN 89 GLY HN 5.50 (# 1535:10 Unique 4.38, 4.47 A)
&rst
ixpk= 1535, nxpk= 10, iat=1322,1338, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 LYS HE- 88 VAL HN 5.50 (# 1260:10 Unique 2.88, 4.60 A)
&rst
ixpk= 1260, nxpk= 10, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1378,1379,
&end
#
# 88 VAL MGX 89 GLY HN 2.80 (# 1100:10 Unique 2.58, 4.07 A)
&rst
ixpk= 1100, nxpk= 10, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1328,1329,1330,1332,1333,1334,
&end
#
# 88 VAL MGY 89 GLY HN 4.50 (# 1099:10 Unique 2.58, 4.07 A)
&rst
ixpk= 1099, nxpk= 10, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1328,1329,1330,1332,1333,1334,
&end
#
# 89 GLY HN 89 GLY HA+ 3.50 (# 668:20 Unique 2.29, 2.63 A)
&rst
ixpk= 668, nxpk= 20, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1340,1341,
&end
#
# 90 PHE HN 89 GLY HA+ 3.50 (# 667:20 Unique 2.37, 2.58 A)
&rst
ixpk= 667, nxpk= 20, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1340,1341,
&end
#
# 89 GLY HA- 89 GLY HN 2.80 (# 1095:10 Unique 2.29, 2.63 A)
&rst
ixpk= 1095, nxpk= 10, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1340,1341,
&end
#
# 90 PHE HB+ 89 GLY HA- 4.50 (# 1995:20 Unique 4.60, 4.90 A)
&rst
ixpk= 1995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1349,1350,
igr2=1340,1341,
&end
#
# 89 GLY HA- 90 PHE HN 2.80 (# 709:10 Unique 2.37, 2.58 A)
&rst
ixpk= 709, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1340,1341,
&end
#
# 89 GLY HN 90 PHE HN 4.50 (# 707:10 Unique 4.30, 4.40 A)
&rst
ixpk= 707, nxpk= 10, iat=1338,1345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 GLN HA 9 GLN HB+ 2.80 (# 1467:20 Unique 2.42, 2.74 A)
&rst
ixpk= 1467, nxpk= 20, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 128, 129,
&end
#
# 9 GLN HA 9 GLN HN 3.50 (# 944:10 Unique 2.85, 2.87 A)
&rst
ixpk= 944, nxpk= 10, iat= 126, 124, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 GLN HB+ 9 GLN HN 2.80 (# 947:10 Unique 2.36, 3.08 A)
&rst
ixpk= 947, nxpk= 10, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 128, 129,
&end
#
# 9 GLN HG- 9 GLN HN 4.50 (# 946:10 Unique 2.98, 3.47 A)
&rst
ixpk= 946, nxpk= 10, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 131, 132,
&end
#
# 90 PHE HA 90 PHE HB+ 3.50 (# 707:20 Unique 2.42, 2.75 A)
&rst
ixpk= 707, nxpk= 20, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1349,1350,
&end
#
# 90 PHE HA 90 PHE HB- 3.50 (# 708:20 Unique 2.42, 2.75 A)
&rst
ixpk= 708, nxpk= 20, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1349,1350,
&end
#
# 90 PHE HD 90 PHE HA 3.50 (# 159:20 Unique 2.76, 3.61 A)
&rst
ixpk= 159, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1353,1361,
&end
#
# 90 PHE HA 90 PHE HN 3.50 (# 710:10 Unique 2.86, 2.87 A)
&rst
ixpk= 710, nxpk= 10, iat=1347,1345, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 PHE HA 91 LYS HA 4.50 (# 2051:20 Unique 4.47, 4.50 A)
&rst
ixpk= 2051, nxpk= 20, iat=1347,1367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 LYS HG+ 90 PHE HA 5.50 (# 168:20 Unique 4.58, 6.03 A)
&rst
ixpk= 168, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1372,1373,
&end
#
# 90 PHE HA 91 LYS HN 2.80 (# 121:10 Unique 2.14, 2.27 A)
&rst
ixpk= 121, nxpk= 10, iat=1347,1365, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 90 PHE HD 90 PHE HB+ 3.50 (# 700:20 Unique 2.39, 3.09 A)
&rst
ixpk= 700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1353,1361,
igr2=1349,1350,
&end
#
# 90 PHE HE 90 PHE HB+ 4.50 (# 701:20 Unique 4.69, 5.11 A)
&rst
ixpk= 701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1355,1359,
igr2=1349,1350,
&end
#
# 90 PHE HB+ 90 PHE HN 2.80 (# 713:10 Unique 2.30, 2.48 A)
&rst
ixpk= 713, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1349,1350,
&end
#
# 91 LYS HN 90 PHE HB+ 5.50 (# 704:20 Unique 3.82, 3.99 A)
&rst
ixpk= 704, nxpk= 20, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1349,1350,
&end
#
# 90 PHE HD 90 PHE HB- 3.50 (# 699:20 Unique 2.39, 3.09 A)
&rst
ixpk= 699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1353,1361,
igr2=1349,1350,
&end
#
# 90 PHE HE 90 PHE HB- 4.50 (# 702:20 Unique 4.69, 5.11 A)
&rst
ixpk= 702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1355,1359,
igr2=1349,1350,
&end
#
# 90 PHE HB- 90 PHE HN 2.80 (# 712:10 Unique 2.30, 2.48 A)
&rst
ixpk= 712, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1349,1350,
&end
#
# 90 PHE HB- 91 LYS HN 5.50 (# 1354:10 Unique 3.82, 3.99 A)
&rst
ixpk= 1354, nxpk= 10, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1349,1350,
&end
#
# 90 PHE HD 90 PHE HN 4.50 (# 708:10 Unique 4.44, 4.71 A)
&rst
ixpk= 708, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1353,1361,
&end
#
# 90 PHE HD 91 LYS HA 5.50 (# 2048:20 Unique 3.26, 4.82 A)
&rst
ixpk= 2048, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1353,1361,
&end
#
# 90 PHE HD 91 LYS HN 4.50 (# 119:10 Unique 3.31, 3.66 A)
&rst
ixpk= 119, nxpk= 10, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1353,1361,
&end
#
# 90 PHE HE 91 LYS HA 5.50 (# 2049:20 Unique 4.06, 5.51 A)
&rst
ixpk= 2049, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1355,1359,
&end
#
# 90 PHE HE 92 PRO HB+ 5.50 (# 1603:20 Unique 2.89, 5.66 A)
&rst
ixpk= 1603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1355,1359,
igr2=1394,1395,
&end
#
# 90 PHE HE 92 PRO HB- 4.50 (# 1604:20 Unique 2.89, 5.66 A)
&rst
ixpk= 1604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1355,1359,
igr2=1394,1395,
&end
#
# 90 PHE HE 92 PRO HD+ 4.50 (# 374:20 Unique 3.18, 5.88 A)
&rst
ixpk= 374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1355,1359,
igr2=1388,1389,
&end
#
# 90 PHE HE 92 PRO HD- 5.50 (# 375:20 Unique 3.18, 5.88 A)
&rst
ixpk= 375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1355,1359,
igr2=1388,1389,
&end
#
# 90 PHE HE 92 PRO HG+ 5.50 (# 1408:20 Unique 4.54, 6.95 A)
&rst
ixpk= 1408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1355,1359,
igr2=1391,1392,
&end
#
# 91 LYS HN 90 PHE HN 5.50 (# 1423:10 Unique 4.56, 4.64 A)
&rst
ixpk= 1423, nxpk= 10, iat=1365,1345, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 LYS HA 91 LYS HB+ 3.50 (# 3029:20 Unique 2.60, 2.88 A)
&rst
ixpk= 3029, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1369,1370,
&end
#
# 91 LYS HA 91 LYS HB- 4.50 (# 1053:20 Unique 2.60, 2.88 A)
&rst
ixpk= 1053, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1369,1370,
&end
#
# 91 LYS HA 91 LYS HD+ 4.00 (# 1095:20 Unique 2.13, 3.46 A)
&rst
ixpk= 1095, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1375,1376,
&end
#
# 91 LYS HD- 91 LYS HA 4.50 (# 2059:20 Unique 2.13, 3.46 A)
&rst
ixpk= 2059, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1375,1376,
&end
#
# 91 LYS HE- 91 LYS HA 5.50 (# 2054:20 Unique 3.41, 4.63 A)
&rst
ixpk= 2054, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1378,1379,
&end
#
# 91 LYS HA 91 LYS HG+ 3.50 (# 2704:20 Unique 2.11, 2.96 A)
&rst
ixpk= 2704, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1372,1373,
&end
#
# 91 LYS HA 91 LYS HN 4.50 (# 120:10 Unique 2.88, 2.92 A)
&rst
ixpk= 120, nxpk= 10, iat=1367,1365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 PRO HB- 91 LYS HA 5.50 (# 2056:20 Unique 4.78, 5.30 A)
&rst
ixpk= 2056, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1394,1395,
&end
#
# 92 PRO HD+ 91 LYS HA 2.80 (# 2053:20 Unique 2.21, 2.40 A)
&rst
ixpk= 2053, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1388,1389,
&end
#
# 92 PRO HD- 91 LYS HA 2.80 (# 2052:20 Unique 2.21, 2.40 A)
&rst
ixpk= 2052, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1388,1389,
&end
#
# 92 PRO HG+ 91 LYS HA 4.50 (# 2055:20 Unique 4.43, 4.56 A)
&rst
ixpk= 2055, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1391,1392,
&end
#
# 92 PRO HG- 91 LYS HA 4.50 (# 2057:20 Unique 4.43, 4.56 A)
&rst
ixpk= 2057, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1391,1392,
&end
#
# 91 LYS HG+ 91 LYS HB+ 2.80 (# 3025:20 Unique 2.22, 2.62 A)
&rst
ixpk= 3025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1372,1373,
igr2=1369,1370,
&end
#
# 91 LYS HB+ 91 LYS HN 4.50 (# 122:10 Unique 2.58, 3.20 A)
&rst
ixpk= 122, nxpk= 10, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1369,1370,
&end
#
# 92 PRO HD+ 91 LYS HB+ 4.50 (# 3028:20 Unique 2.42, 4.09 A)
&rst
ixpk= 3028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1388,1389,
igr2=1369,1370,
&end
#
# 92 PRO HD- 91 LYS HB+ 4.50 (# 3027:20 Unique 2.42, 4.09 A)
&rst
ixpk= 3027, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1388,1389,
igr2=1369,1370,
&end
#
# 92 PRO HG+ 91 LYS HB+ 4.50 (# 3026:20 Unique 5.99, 7.87 A)
&rst
ixpk= 3026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1391,1392,
igr2=1369,1370,
&end
#
# 91 LYS HE+ 91 LYS HB- 5.50 (# 1050:20 Unique 2.08, 4.23 A)
&rst
ixpk= 1050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1378,1379,
igr2=1369,1370,
&end
#
# 91 LYS HN 91 LYS HB- 4.50 (# 1054:20 Unique 2.58, 3.20 A)
&rst
ixpk= 1054, nxpk= 20, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1369,1370,
&end
#
# 92 PRO HD+ 91 LYS HB- 5.50 (# 1052:20 Unique 2.42, 4.09 A)
&rst
ixpk= 1052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1388,1389,
igr2=1369,1370,
&end
#
# 92 PRO HD- 91 LYS HB- 4.50 (# 1051:20 Unique 2.42, 4.09 A)
&rst
ixpk= 1051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1388,1389,
igr2=1369,1370,
&end
#
# 91 LYS HE+ 91 LYS HD+ 3.50 (# 1099:20 Unique 2.33, 2.73 A)
&rst
ixpk= 1099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1378,1379,
igr2=1375,1376,
&end
#
# 91 LYS HE- 91 LYS HD+ 3.50 (# 1098:20 Unique 2.33, 2.73 A)
&rst
ixpk= 1098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1378,1379,
igr2=1375,1376,
&end
#
# 91 LYS HG+ 91 LYS HD+ 2.80 (# 1100:20 Unique 2.32, 2.71 A)
&rst
ixpk= 1100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1372,1373,
igr2=1375,1376,
&end
#
# 92 PRO HD+ 91 LYS HD+ 4.50 (# 1097:20 Unique 3.07, 4.99 A)
&rst
ixpk= 1097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1388,1389,
igr2=1375,1376,
&end
#
# 91 LYS HD+ 92 PRO HD- 4.50 (# 359:20 Unique 3.07, 4.99 A)
&rst
ixpk= 359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1375,1376,
igr2=1388,1389,
&end
#
# 91 LYS HE+ 91 LYS HD- 4.50 (# 1092:20 Unique 2.33, 2.73 A)
&rst
ixpk= 1092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1378,1379,
igr2=1375,1376,
&end
#
# 91 LYS HE- 91 LYS HD- 4.50 (# 1091:20 Unique 2.33, 2.73 A)
&rst
ixpk= 1091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1378,1379,
igr2=1375,1376,
&end
#
# 91 LYS HG+ 91 LYS HD- 2.80 (# 1094:20 Unique 2.32, 2.71 A)
&rst
ixpk= 1094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1372,1373,
igr2=1375,1376,
&end
#
# 92 PRO HD+ 91 LYS HD- 5.50 (# 1090:20 Unique 3.07, 4.99 A)
&rst
ixpk= 1090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1388,1389,
igr2=1375,1376,
&end
#
# 91 LYS HE+ 95 ALA MB 5.50 (# 2420:20 Unique 4.06, 6.21 A)
&rst
ixpk= 2420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1378,1379,
igr2=1442,1443,1444,
&end
#
# 91 LYS HE+ 99 LEU MDY 5.50 (# 2650:20 Unique 3.32, 6.90 A)
&rst
ixpk= 2650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1378,1379,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 91 LYS HN 91 LYS HG+ 5.50 (# 2703:20 Unique 3.79, 4.72 A)
&rst
ixpk= 2703, nxpk= 20, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1372,1373,
&end
#
# 91 LYS HG+ 92 PRO HB+ 5.50 (# 1617:20 Unique 5.90, 7.02 A)
&rst
ixpk= 1617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1372,1373,
igr2=1394,1395,
&end
#
# 91 LYS HG+ 92 PRO HD+ 4.50 (# 354:20 Unique 2.24, 3.95 A)
&rst
ixpk= 354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1372,1373,
igr2=1388,1389,
&end
#
# 91 LYS HG+ 92 PRO HD- 4.50 (# 355:20 Unique 2.24, 3.95 A)
&rst
ixpk= 355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1372,1373,
igr2=1388,1389,
&end
#
# 91 LYS HG+ 95 ALA MB 3.50 (# 2425:20 Unique 2.38, 3.99 A)
&rst
ixpk= 2425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1372,1373,
igr2=1442,1443,1444,
&end
#
# 91 LYS HN 96 LEU MDY 5.50 (# 2482:20 Unique 3.25, 6.20 A)
&rst
ixpk= 2482, nxpk= 20, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 92 PRO HB+ 92 PRO HA 3.50 (# 2157:20 Unique 2.32, 2.53 A)
&rst
ixpk= 2157, nxpk= 20, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1394,1395,
&end
#
# 92 PRO HA 92 PRO HB- 2.80 (# 1605:20 Unique 2.32, 2.53 A)
&rst
ixpk= 1605, nxpk= 20, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1394,1395,
&end
#
# 92 PRO HD+ 92 PRO HA 4.50 (# 2155:20 Unique 3.57, 3.84 A)
&rst
ixpk= 2155, nxpk= 20, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1388,1389,
&end
#
# 92 PRO HA 92 PRO HD- 4.50 (# 371:20 Unique 3.57, 3.84 A)
&rst
ixpk= 371, nxpk= 20, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1388,1389,
&end
#
# 92 PRO HG+ 92 PRO HA 4.50 (# 2158:20 Unique 3.84, 3.99 A)
&rst
ixpk= 2158, nxpk= 20, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1391,1392,
&end
#
# 92 PRO HA 92 PRO HG- 4.50 (# 1407:20 Unique 3.84, 3.99 A)
&rst
ixpk= 1407, nxpk= 20, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1391,1392,
&end
#
# 92 PRO HA 93 LYS HA 4.50 (# 152:20 Unique 4.32, 4.39 A)
&rst
ixpk= 152, nxpk= 20, iat=1397,1403, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 PRO HA 93 LYS HN 2.80 (# 506:10 Unique 2.34, 2.38 A)
&rst
ixpk= 506, nxpk= 10, iat=1397,1401, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 92 PRO HA 94 GLU HN 5.50 (# 1497:10 Unique 4.32, 4.46 A)
&rst
ixpk= 1497, nxpk= 10, iat=1397,1423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 PRO HD+ 92 PRO HB+ 4.50 (# 1609:20 Unique 2.82, 3.69 A)
&rst
ixpk= 1609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1388,1389,
igr2=1394,1395,
&end
#
# 92 PRO HD- 92 PRO HB+ 4.50 (# 1608:20 Unique 2.82, 3.69 A)
&rst
ixpk= 1608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1388,1389,
igr2=1394,1395,
&end
#
# 92 PRO HG- 92 PRO HB+ 3.50 (# 1612:20 Unique 2.38, 2.63 A)
&rst
ixpk= 1612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1391,1392,
igr2=1394,1395,
&end
#
# 92 PRO HB+ 93 LYS HN 2.80 (# 507:10 Unique 2.70, 3.26 A)
&rst
ixpk= 507, nxpk= 10, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1394,1395,
&end
#
# 94 GLU HN 92 PRO HB+ 4.50 (# 1591:20 Unique 2.59, 3.62 A)
&rst
ixpk= 1591, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1394,1395,
&end
#
# 92 PRO HB+ 95 ALA HN 4.50 (# 470:10 Unique 3.41, 4.22 A)
&rst
ixpk= 470, nxpk= 10, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1394,1395,
&end
#
# 92 PRO HD+ 92 PRO HB- 4.50 (# 1610:20 Unique 2.82, 3.69 A)
&rst
ixpk= 1610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1388,1389,
igr2=1394,1395,
&end
#
# 92 PRO HD- 92 PRO HB- 4.50 (# 1607:20 Unique 2.82, 3.69 A)
&rst
ixpk= 1607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1388,1389,
igr2=1394,1395,
&end
#
# 92 PRO HB- 92 PRO HG+ 2.80 (# 1412:20 Unique 2.38, 2.63 A)
&rst
ixpk= 1412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1394,1395,
igr2=1391,1392,
&end
#
# 92 PRO HG- 92 PRO HB- 3.50 (# 1611:20 Unique 2.38, 2.63 A)
&rst
ixpk= 1611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1391,1392,
igr2=1394,1395,
&end
#
# 92 PRO HB- 93 LYS HN 3.50 (# 501:10 Unique 2.70, 3.26 A)
&rst
ixpk= 501, nxpk= 10, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1394,1395,
&end
#
# 94 GLU HN 92 PRO HB- 4.50 (# 1590:20 Unique 2.59, 3.62 A)
&rst
ixpk= 1590, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1394,1395,
&end
#
# 95 ALA HN 92 PRO HB- 4.50 (# 1599:20 Unique 3.41, 4.22 A)
&rst
ixpk= 1599, nxpk= 20, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1394,1395,
&end
#
# 92 PRO HD+ 92 PRO HG+ 3.50 (# 1404:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1388,1389,
igr2=1391,1392,
&end
#
# 92 PRO HD+ 92 PRO HG- 3.50 (# 1400:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1388,1389,
igr2=1391,1392,
&end
#
# 92 PRO HD+ 95 ALA MB 3.50 (# 2418:20 Unique 2.40, 3.94 A)
&rst
ixpk= 2418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1388,1389,
igr2=1442,1443,1444,
&end
#
# 92 PRO HD- 92 PRO HG+ 3.50 (# 1403:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1388,1389,
igr2=1391,1392,
&end
#
# 92 PRO HD- 92 PRO HG- 3.50 (# 1401:20 Unique 2.33, 2.61 A)
&rst
ixpk= 1401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1388,1389,
igr2=1391,1392,
&end
#
# 95 ALA HN 92 PRO HD- 5.50 (# 373:20 Unique 3.85, 4.61 A)
&rst
ixpk= 373, nxpk= 20, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1388,1389,
&end
#
# 92 PRO HD- 95 ALA MB 3.50 (# 2419:20 Unique 2.40, 3.94 A)
&rst
ixpk= 2419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1388,1389,
igr2=1442,1443,1444,
&end
#
# 93 LYS HN 92 PRO HG+ 5.50 (# 1410:20 Unique 4.42, 4.89 A)
&rst
ixpk= 1410, nxpk= 20, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1391,1392,
&end
#
# 92 PRO HG+ 95 ALA HN 4.50 (# 461:10 Unique 2.21, 3.21 A)
&rst
ixpk= 461, nxpk= 10, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1391,1392,
&end
#
# 92 PRO HG+ 95 ALA MB 4.50 (# 2422:20 Unique 2.46, 3.74 A)
&rst
ixpk= 2422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1391,1392,
igr2=1442,1443,1444,
&end
#
# 94 GLU HN 92 PRO HG- 5.50 (# 1397:20 Unique 3.55, 4.32 A)
&rst
ixpk= 1397, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1391,1392,
&end
#
# 92 PRO HG- 95 ALA HN 3.50 (# 472:10 Unique 2.21, 3.21 A)
&rst
ixpk= 472, nxpk= 10, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1391,1392,
&end
#
# 92 PRO HG- 95 ALA MB 3.50 (# 2424:20 Unique 2.46, 3.74 A)
&rst
ixpk= 2424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1391,1392,
igr2=1442,1443,1444,
&end
#
# 94 GLU- HN 92 PRO QB 4.5 (# 2:916:10)
&rst
ixpk= 2, nxpk= 916, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1394,1395,
&end
#
# 93 LYS HA 93 LYS HB+ 3.50 (# 1628:20 Unique 2.38, 2.73 A)
&rst
ixpk= 1628, nxpk= 20, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1405,1406,
&end
#
# 93 LYS HA 93 LYS HB- 3.50 (# 1629:20 Unique 2.38, 2.73 A)
&rst
ixpk= 1629, nxpk= 20, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1405,1406,
&end
#
# 93 LYS HA 93 LYS HE+ 5.50 (# 1908:20 Unique 4.46, 5.26 A)
&rst
ixpk= 1908, nxpk= 20, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1414,1415,
&end
#
# 93 LYS HA 93 LYS HE- 5.50 (# 1907:20 Unique 4.46, 5.26 A)
&rst
ixpk= 1907, nxpk= 20, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1414,1415,
&end
#
# 93 LYS HA 93 LYS HG+ 3.50 (# 1566:20 Unique 2.61, 3.04 A)
&rst
ixpk= 1566, nxpk= 20, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1408,1409,
&end
#
# 93 LYS HA 93 LYS HN 2.80 (# 500:10 Unique 2.80, 2.81 A)
&rst
ixpk= 500, nxpk= 10, iat=1403,1401, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 93 LYS HA 94 GLU HA 5.50 (# 260:20 Unique 4.62, 4.71 A)
&rst
ixpk= 260, nxpk= 20, iat=1403,1425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LYS HA 94 GLU HN 4.50 (# 914:10 Unique 3.61, 3.62 A)
&rst
ixpk= 914, nxpk= 10, iat=1403,1423, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 ALA HN 93 LYS HA 5.50 (# 153:20 Unique 4.37, 4.59 A)
&rst
ixpk= 153, nxpk= 20, iat=1438,1403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LYS HA 96 LEU HB+ 4.50 (# 1020:20 Unique 2.45, 3.25 A)
&rst
ixpk= 1020, nxpk= 20, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1452,1453,
&end
#
# 93 LYS HA 96 LEU HB- 4.50 (# 1850:20 Unique 2.45, 3.25 A)
&rst
ixpk= 1850, nxpk= 20, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1452,1453,
&end
#
# 96 LEU HN 93 LYS HA 4.50 (# 154:20 Unique 3.29, 3.51 A)
&rst
ixpk= 154, nxpk= 20, iat=1448,1403, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 LEU MDX 93 LYS HA 3.50 (# 149:20 Unique 3.45, 5.43 A)
&rst
ixpk= 149, nxpk= 20, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1457,1458,1459,1461,1462,1463,
&end
#
# 93 LYS HA 97 GLN HN 5.50 (# 1495:10 Unique 3.61, 3.75 A)
&rst
ixpk= 1495, nxpk= 10, iat=1403,1467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LYS HB+ 93 LYS HE+ 3.50 (# 1911:20 Unique 2.39, 4.37 A)
&rst
ixpk= 1911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1405,1406,
igr2=1414,1415,
&end
#
# 93 LYS HB+ 93 LYS HE- 3.50 (# 1909:20 Unique 2.39, 4.37 A)
&rst
ixpk= 1909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1405,1406,
igr2=1414,1415,
&end
#
# 93 LYS HB+ 93 LYS HN 2.80 (# 509:10 Unique 2.33, 2.52 A)
&rst
ixpk= 509, nxpk= 10, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1405,1406,
&end
#
# 93 LYS HB+ 94 GLU HN 2.80 (# 919:10 Unique 2.71, 3.46 A)
&rst
ixpk= 919, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1405,1406,
&end
#
# 93 LYS HE+ 93 LYS HB- 4.50 (# 1627:20 Unique 2.39, 4.37 A)
&rst
ixpk= 1627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1414,1415,
igr2=1405,1406,
&end
#
# 93 LYS HE- 93 LYS HB- 4.50 (# 1624:20 Unique 2.39, 4.37 A)
&rst
ixpk= 1624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1414,1415,
igr2=1405,1406,
&end
#
# 93 LYS HB- 93 LYS HN 2.80 (# 508:10 Unique 2.33, 2.52 A)
&rst
ixpk= 508, nxpk= 10, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1405,1406,
&end
#
# 94 GLU HN 93 LYS HB- 4.50 (# 1592:20 Unique 2.71, 3.46 A)
&rst
ixpk= 1592, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1405,1406,
&end
#
# 93 LYS HD+ 93 LYS HE+ 3.50 (# 1912:20 Unique 2.39, 2.76 A)
&rst
ixpk= 1912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1411,1412,
igr2=1414,1415,
&end
#
# 93 LYS HD+ 93 LYS HE- 3.50 (# 1910:20 Unique 2.39, 2.76 A)
&rst
ixpk= 1910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1411,1412,
igr2=1414,1415,
&end
#
# 93 LYS HD+ 93 LYS HN 4.50 (# 502:10 Unique 4.50, 4.91 A)
&rst
ixpk= 502, nxpk= 10, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1411,1412,
&end
#
# 93 LYS HD+ 94 GLU HA 5.00 (# 265:20 Unique 2.81, 4.95 A)
&rst
ixpk= 265, nxpk= 20, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1411,1412,
&end
#
# 93 LYS HD+ 94 GLU HN 4.50 (# 920:10 Unique 3.08, 4.65 A)
&rst
ixpk= 920, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1411,1412,
&end
#
# 93 LYS HG+ 93 LYS HE+ 4.50 (# 1914:20 Unique 2.13, 2.76 A)
&rst
ixpk= 1914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1408,1409,
igr2=1414,1415,
&end
#
# 97 GLN HE2- 93 LYS HE+ 5.50 (# 1905:20 Unique 4.81, 7.03 A)
&rst
ixpk= 1905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1479,1480,
igr2=1414,1415,
&end
#
# 93 LYS HE+ 97 GLN HG+ 5.50 (# 852:20 Unique 2.30, 4.14 A)
&rst
ixpk= 852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1414,1415,
igr2=1474,1475,
&end
#
# 93 LYS HE+ 97 GLN HG- 5.50 (# 853:20 Unique 2.30, 4.14 A)
&rst
ixpk= 853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1414,1415,
igr2=1474,1475,
&end
#
# 93 LYS HG+ 93 LYS HE- 3.50 (# 1913:20 Unique 2.13, 2.76 A)
&rst
ixpk= 1913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1408,1409,
igr2=1414,1415,
&end
#
# 93 LYS HE- 97 GLN HE2+ 5.50 (# 1149:10 Unique 4.81, 7.03 A)
&rst
ixpk= 1149, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1414,1415,
igr2=1479,1480,
&end
#
# 93 LYS HE- 97 GLN HE2- 5.50 (# 1148:10 Unique 4.81, 7.03 A)
&rst
ixpk= 1148, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1414,1415,
igr2=1479,1480,
&end
#
# 93 LYS HG+ 94 GLU HA 4.50 (# 267:20 Unique 2.95, 4.27 A)
&rst
ixpk= 267, nxpk= 20, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1408,1409,
&end
#
# 93 LYS HG+ 94 GLU HN 4.50 (# 922:10 Unique 3.35, 4.32 A)
&rst
ixpk= 922, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1408,1409,
&end
#
# 93 LYS HG+ 97 GLN HG+ 4.50 (# 855:20 Unique 2.75, 4.01 A)
&rst
ixpk= 855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1408,1409,
igr2=1474,1475,
&end
#
# 93 LYS HG+ 97 GLN HG- 4.50 (# 854:20 Unique 2.75, 4.01 A)
&rst
ixpk= 854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1408,1409,
igr2=1474,1475,
&end
#
# 93 LYS HG+ 97 GLN HN 5.50 (# 1426:10 Unique 3.65, 4.38 A)
&rst
ixpk= 1426, nxpk= 10, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1408,1409,
&end
#
# 93 LYS HN 94 GLU HN 3.50 (# 911:10 Unique 2.87, 2.94 A)
&rst
ixpk= 911, nxpk= 10, iat=1401,1423, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 GLU HA 94 GLU HB+ 2.80 (# 1481:20 Unique 2.48, 2.78 A)
&rst
ixpk= 1481, nxpk= 20, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1427,1428,
&end
#
# 94 GLU HA 94 GLU HG+ 3.50 (# 819:20 Unique 2.47, 2.95 A)
&rst
ixpk= 819, nxpk= 20, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1430,1431,
&end
#
# 94 GLU HA 94 GLU HN 2.80 (# 913:10 Unique 2.78, 2.81 A)
&rst
ixpk= 913, nxpk= 10, iat=1425,1423, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 94 GLU HA 95 ALA HN 4.50 (# 467:10 Unique 3.47, 3.52 A)
&rst
ixpk= 467, nxpk= 10, iat=1425,1438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 LEU HN 94 GLU HA 5.50 (# 257:20 Unique 4.40, 4.49 A)
&rst
ixpk= 257, nxpk= 20, iat=1448,1425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLU HA 97 GLN HG+ 4.50 (# 849:20 Unique 2.08, 2.55 A)
&rst
ixpk= 849, nxpk= 20, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1474,1475,
&end
#
# 94 GLU HA 97 GLN HG- 4.50 (# 848:20 Unique 2.08, 2.55 A)
&rst
ixpk= 848, nxpk= 20, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1474,1475,
&end
#
# 94 GLU HA 97 GLN HN 3.50 (# 682:10 Unique 3.44, 3.56 A)
&rst
ixpk= 682, nxpk= 10, iat=1425,1467, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 GLU HA 98 GLU HN 4.50 (# 811:10 Unique 4.04, 4.14 A)
&rst
ixpk= 811, nxpk= 10, iat=1425,1484, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 GLU HB+ 94 GLU HN 2.80 (# 918:10 Unique 2.21, 2.81 A)
&rst
ixpk= 918, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1427,1428,
&end
#
# 94 GLU HB+ 95 ALA HN 2.80 (# 471:10 Unique 2.57, 3.21 A)
&rst
ixpk= 471, nxpk= 10, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1427,1428,
&end
#
# 95 ALA MB 94 GLU HB+ 4.50 (# 1483:20 Unique 4.26, 5.60 A)
&rst
ixpk= 1483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1442,1443,1444,
igr2=1427,1428,
&end
#
# 94 GLU HN 94 GLU HG+ 4.50 (# 815:20 Unique 2.20, 3.64 A)
&rst
ixpk= 815, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1430,1431,
&end
#
# 95 ALA HN 94 GLU HG+ 4.50 (# 817:20 Unique 3.80, 4.61 A)
&rst
ixpk= 817, nxpk= 20, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1430,1431,
&end
#
# 95 ALA MB 94 GLU HG+ 5.50 (# 821:20 Unique 4.99, 6.98 A)
&rst
ixpk= 821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1442,1443,1444,
igr2=1430,1431,
&end
#
# 94 GLU HN 94 GLU HG- 4.50 (# 816:20 Unique 2.20, 3.64 A)
&rst
ixpk= 816, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1430,1431,
&end
#
# 94 GLU- HN 94 GLU- QG 3.8 (# 1:916:10)
&rst
ixpk= 1, nxpk= 916, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1430,1431,
&end
#
# 95 ALA HN 94 GLU HN 2.80 (# 912:10 Unique 2.76, 2.82 A)
&rst
ixpk= 912, nxpk= 10, iat=1438,1423, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 94 GLU HN 95 ALA MB 5.50 (# 2409:20 Unique 4.85, 5.49 A)
&rst
ixpk= 2409, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1442,1443,1444,
&end
#
# 96 LEU HN 94 GLU HN 5.50 (# 903:10 Unique 4.13, 4.21 A)
&rst
ixpk= 903, nxpk= 10, iat=1448,1423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 GLN HN 94 GLU HN 5.50 (# 1527:10 Unique 4.72, 4.74 A)
&rst
ixpk= 1527, nxpk= 10, iat=1467,1423, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLU- HN 97 GLN QG 4.5 (# 3:916:10)
&rst
ixpk= 3, nxpk= 916, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1474,1475,
&end
#
# 95 ALA HA 95 ALA HN 2.80 (# 466:10 Unique 2.85, 2.86 A)
&rst
ixpk= 466, nxpk= 10, iat=1440,1438, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 95 ALA HA 95 ALA MB 2.80 (# 2416:20 Unique 2.45, 2.67 A)
&rst
ixpk= 2416, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1442,1443,1444,
&end
#
# 95 ALA HA 96 LEU HN 4.50 (# 654:10 Unique 3.58, 3.60 A)
&rst
ixpk= 654, nxpk= 10, iat=1440,1448, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 ALA HA 97 GLN HN 5.50 (# 1496:10 Unique 4.58, 4.64 A)
&rst
ixpk= 1496, nxpk= 10, iat=1440,1467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ALA HA 98 GLU HB+ 2.80 (# 3174:20 Unique 2.63, 3.14 A)
&rst
ixpk= 3174, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1488,1489,
&end
#
# 95 ALA HA 98 GLU HG+ 4.50 (# 1784:20 Unique 4.28, 5.00 A)
&rst
ixpk= 1784, nxpk= 20, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1491,1492,
&end
#
# 95 ALA HA 98 GLU HN 3.50 (# 810:10 Unique 3.43, 3.51 A)
&rst
ixpk= 810, nxpk= 10, iat=1440,1484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 95 ALA HA 99 LEU HN 5.50 (# 1430:10 Unique 3.94, 4.09 A)
&rst
ixpk= 1430, nxpk= 10, iat=1440,1499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ALA MB 95 ALA HN 2.80 (# 473:10 Unique 2.38, 2.85 A)
&rst
ixpk= 473, nxpk= 10, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1442,1443,1444,
&end
#
# 95 ALA HN 96 LEU HN 2.80 (# 653:10 Unique 2.48, 2.64 A)
&rst
ixpk= 653, nxpk= 10, iat=1438,1448, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 95 ALA HN 97 GLN HE2+ 5.50 (# 1170:10 Unique 4.78, 5.62 A)
&rst
ixpk= 1170, nxpk= 10, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1479,1480,
&end
#
# 97 GLN HN 95 ALA HN 4.50 (# 463:10 Unique 4.11, 4.21 A)
&rst
ixpk= 463, nxpk= 10, iat=1467,1438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 LEU HA 95 ALA MB 4.50 (# 2417:20 Unique 4.15, 4.70 A)
&rst
ixpk= 2417, nxpk= 20, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1442,1443,1444,
&end
#
# 96 LEU HN 95 ALA MB 3.50 (# 2411:20 Unique 2.45, 3.32 A)
&rst
ixpk= 2411, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1442,1443,1444,
&end
#
# 97 GLN HN 95 ALA MB 4.50 (# 2410:20 Unique 5.02, 5.60 A)
&rst
ixpk= 2410, nxpk= 20, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1442,1443,1444,
&end
#
# 98 GLU HN 95 ALA MB 5.50 (# 2412:20 Unique 5.19, 5.46 A)
&rst
ixpk= 2412, nxpk= 20, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1442,1443,1444,
&end
#
# 99 LEU HN 95 ALA MB 5.50 (# 2413:20 Unique 4.97, 5.64 A)
&rst
ixpk= 2413, nxpk= 20, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1442,1443,1444,
&end
#
# 96 LEU HA 96 LEU HB+ 3.50 (# 1019:20 Unique 2.45, 2.79 A)
&rst
ixpk= 1019, nxpk= 20, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1452,1453,
&end
#
# 96 LEU HB- 96 LEU HA 2.80 (# 214:20 Unique 2.45, 2.79 A)
&rst
ixpk= 214, nxpk= 20, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1452,1453,
&end
#
# 96 LEU HA 96 LEU HG 4.50 (# 3086:20 Unique 2.47, 2.98 A)
&rst
ixpk= 3086, nxpk= 20, iat=1450,1455, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 LEU HA 96 LEU HN 2.80 (# 655:10 Unique 2.82, 2.84 A)
&rst
ixpk= 655, nxpk= 10, iat=1450,1448, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 96 LEU HA 96 LEU MDY 3.50 (# 2481:20 Unique 2.14, 3.78 A)
&rst
ixpk= 2481, nxpk= 20, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 97 GLN HN 96 LEU HA 4.50 (# 210:20 Unique 3.60, 3.61 A)
&rst
ixpk= 210, nxpk= 20, iat=1467,1450, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 GLU HN 96 LEU HA 4.50 (# 213:20 Unique 4.02, 4.15 A)
&rst
ixpk= 213, nxpk= 20, iat=1484,1450, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 LEU MDY 96 LEU HA 3.50 (# 217:20 Unique 2.34, 4.79 A)
&rst
ixpk= 217, nxpk= 20, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1508,1509,1510,1512,1513,1514,
&end
#
# 96 LEU HB+ 96 LEU HG 3.50 (# 3090:20 Unique 2.36, 2.75 A)
&rst
ixpk= 3090, nxpk= 20, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1452,1453,
&end
#
# 96 LEU HB+ 96 LEU HN 3.50 (# 659:10 Unique 2.10, 2.65 A)
&rst
ixpk= 659, nxpk= 10, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1452,1453,
&end
#
# 96 LEU HB+ 96 LEU MDX 3.50 (# 2742:20 Unique 2.37, 3.33 A)
&rst
ixpk= 2742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1452,1453,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 96 LEU HB+ 97 GLN HN 3.50 (# 698:10 Unique 2.73, 3.31 A)
&rst
ixpk= 698, nxpk= 10, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1452,1453,
&end
#
# 96 LEU HB- 96 LEU HG 3.50 (# 3088:20 Unique 2.36, 2.75 A)
&rst
ixpk= 3088, nxpk= 20, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1452,1453,
&end
#
# 96 LEU HB- 96 LEU HN 2.80 (# 657:10 Unique 2.10, 2.65 A)
&rst
ixpk= 657, nxpk= 10, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1452,1453,
&end
#
# 96 LEU HB- 97 GLN HA 5.50 (# 173:20 Unique 4.07, 4.86 A)
&rst
ixpk= 173, nxpk= 20, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1452,1453,
&end
#
# 96 LEU HB- 97 GLN HN 2.80 (# 689:10 Unique 2.73, 3.31 A)
&rst
ixpk= 689, nxpk= 10, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1452,1453,
&end
#
# 96 LEU HN 96 LEU HG 4.50 (# 3085:20 Unique 2.39, 3.84 A)
&rst
ixpk= 3085, nxpk= 20, iat=1448,1455, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 LEU HN 96 LEU MDX 4.50 (# 2741:20 Unique 3.10, 4.95 A)
&rst
ixpk= 2741, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 96 LEU HN 96 LEU MDY 4.50 (# 2484:20 Unique 3.10, 4.95 A)
&rst
ixpk= 2484, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 96 LEU HN 97 GLN HB+ 5.50 (# 1478:20 Unique 5.25, 5.89 A)
&rst
ixpk= 1478, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1471,1472,
&end
#
# 96 LEU HN 97 GLN HN 2.80 (# 680:10 Unique 2.71, 2.75 A)
&rst
ixpk= 680, nxpk= 10, iat=1448,1467, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 96 LEU HN 98 GLU HN 4.50 (# 787:10 Unique 3.88, 3.97 A)
&rst
ixpk= 787, nxpk= 10, iat=1448,1484, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 GLN HN 96 LEU MDY 5.50 (# 2485:20 Unique 4.74, 5.69 A)
&rst
ixpk= 2485, nxpk= 20, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 99 LEU HN 96 LEU MDY 5.50 (# 2483:20 Unique 4.54, 6.77 A)
&rst
ixpk= 2483, nxpk= 20, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 97 GLN HA 97 GLN HB- 3.50 (# 1469:20 Unique 2.35, 2.40 A)
&rst
ixpk= 1469, nxpk= 20, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1471,1472,
&end
#
# 97 GLN HG+ 97 GLN HA 3.50 (# 177:20 Unique 3.69, 3.98 A)
&rst
ixpk= 177, nxpk= 20, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1474,1475,
&end
#
# 97 GLN HA 97 GLN HG- 3.50 (# 851:20 Unique 3.69, 3.98 A)
&rst
ixpk= 851, nxpk= 20, iat=1469, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1474,1475,
&end
#
# 97 GLN HA 97 GLN HN 2.80 (# 684:10 Unique 2.87, 2.89 A)
&rst
ixpk= 684, nxpk= 10, iat=1469,1467, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 97 GLN HA 98 GLU HN 4.50 (# 813:10 Unique 3.52, 3.55 A)
&rst
ixpk= 813, nxpk= 10, iat=1469,1484, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 LEU HB- 97 GLN HA 5.50 (# 174:20 Unique 4.87, 5.52 A)
&rst
ixpk= 174, nxpk= 20, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1503,1504,
&end
#
# 99 LEU HN 97 GLN HA 4.50 (# 180:20 Unique 4.23, 4.33 A)
&rst
ixpk= 180, nxpk= 20, iat=1499,1469, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 GLN HB+ 97 GLN HN 2.80 (# 688:10 Unique 2.61, 3.19 A)
&rst
ixpk= 688, nxpk= 10, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1471,1472,
&end
#
# 97 GLN HB- 97 GLN HN 2.80 (# 687:10 Unique 2.61, 3.19 A)
&rst
ixpk= 687, nxpk= 10, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1471,1472,
&end
#
# 97 GLN HE2+ 97 GLN HG+ 3.50 (# 842:20 Unique 2.15, 3.28 A)
&rst
ixpk= 842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1479,1480,
igr2=1474,1475,
&end
#
# 97 GLN HG- 97 GLN HE2+ 2.80 (# 1173:10 Unique 2.15, 3.28 A)
&rst
ixpk= 1173, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1474,1475,
igr2=1479,1480,
&end
#
# 97 GLN HE2- 97 GLN HG+ 4.50 (# 844:20 Unique 2.15, 3.28 A)
&rst
ixpk= 844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1479,1480,
igr2=1474,1475,
&end
#
# 97 GLN HG- 97 GLN HE2- 3.50 (# 1179:10 Unique 2.15, 3.28 A)
&rst
ixpk= 1179, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1474,1475,
igr2=1479,1480,
&end
#
# 97 GLN HG+ 97 GLN HN 2.80 (# 685:10 Unique 2.17, 2.92 A)
&rst
ixpk= 685, nxpk= 10, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1474,1475,
&end
#
# 97 GLN HG- 97 GLN HN 3.50 (# 686:10 Unique 2.17, 2.92 A)
&rst
ixpk= 686, nxpk= 10, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1474,1475,
&end
#
# 97 GLN HG- 98 GLU HN 2.80 (# 784:10 Unique 2.73, 3.63 A)
&rst
ixpk= 784, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1474,1475,
&end
#
# 97 GLN HN 98 GLU HN 2.80 (# 808:10 Unique 2.55, 2.59 A)
&rst
ixpk= 808, nxpk= 10, iat=1467,1484, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 97 GLN HN 99 LEU HN 5.50 (# 1428:10 Unique 4.06, 4.16 A)
&rst
ixpk= 1428, nxpk= 10, iat=1467,1499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 GLU HA 98 GLU HB+ 2.80 (# 3175:20 Unique 2.43, 2.77 A)
&rst
ixpk= 3175, nxpk= 20, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1488,1489,
&end
#
# 98 GLU HA 98 GLU HG+ 3.50 (# 1781:20 Unique 2.53, 3.16 A)
&rst
ixpk= 1781, nxpk= 20, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1491,1492,
&end
#
# 98 GLU HN 98 GLU HA 3.50 (# 282:20 Unique 2.86, 2.87 A)
&rst
ixpk= 282, nxpk= 20, iat=1484,1486, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 GLU HB+ 98 GLU HN 2.80 (# 815:10 Unique 2.40, 2.55 A)
&rst
ixpk= 815, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1488,1489,
&end
#
# 98 GLU HB+ 99 LEU HN 2.80 (# 758:10 Unique 2.36, 3.12 A)
&rst
ixpk= 758, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1488,1489,
&end
#
# 98 GLU HG+ 98 GLU HN 4.50 (# 814:10 Unique 4.38, 4.51 A)
&rst
ixpk= 814, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1491,1492,
&end
#
# 98 GLU HG+ 99 LEU HN 3.50 (# 730:10 Unique 3.57, 4.13 A)
&rst
ixpk= 730, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1491,1492,
&end
#
# 98 GLU HN 99 LEU HB- 5.50 (# 2987:20 Unique 3.97, 4.95 A)
&rst
ixpk= 2987, nxpk= 20, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1503,1504,
&end
#
# 99 LEU HN 98 GLU HN 2.80 (# 809:10 Unique 2.40, 2.44 A)
&rst
ixpk= 809, nxpk= 10, iat=1499,1484, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 99 LEU HA 99 LEU HB+ 3.50 (# 2990:20 Unique 2.33, 2.82 A)
&rst
ixpk= 2990, nxpk= 20, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1503,1504,
&end
#
# 99 LEU HA 99 LEU HB- 3.50 (# 2989:20 Unique 2.33, 2.82 A)
&rst
ixpk= 2989, nxpk= 20, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1503,1504,
&end
#
# 99 LEU HA 99 LEU HG 4.50 (# 3083:20 Unique 2.34, 2.79 A)
&rst
ixpk= 3083, nxpk= 20, iat=1501,1506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 LEU HA 99 LEU MDX 3.50 (# 2657:20 Unique 2.16, 3.90 A)
&rst
ixpk= 2657, nxpk= 20, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 99 LEU HA 99 LEU MDY 3.50 (# 2647:20 Unique 2.16, 3.90 A)
&rst
ixpk= 2647, nxpk= 20, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 99 LEU HB+ 99 LEU HN 2.80 (# 760:10 Unique 1.94, 2.80 A)
&rst
ixpk= 760, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1503,1504,
&end
#
# 99 LEU HB+ 99 LEU MDY 2.80 (# 2654:20 Unique 2.31, 3.29 A)
&rst
ixpk= 2654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1503,1504,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 99 LEU HB- 99 LEU HN 2.80 (# 759:10 Unique 1.94, 2.80 A)
&rst
ixpk= 759, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1503,1504,
&end
#
# 99 LEU MDX 99 LEU HB- 3.50 (# 2998:20 Unique 2.31, 3.29 A)
&rst
ixpk= 2998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1508,1509,1510,1512,1513,1514,
igr2=1503,1504,
&end
#
# 99 LEU MDY 99 LEU HB- 3.50 (# 2997:20 Unique 2.31, 3.29 A)
&rst
ixpk= 2997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1508,1509,1510,1512,1513,1514,
igr2=1503,1504,
&end
#
# 99 LEU HN 99 LEU HG 4.50 (# 3082:20 Unique 2.76, 3.18 A)
&rst
ixpk= 3082, nxpk= 20, iat=1499,1506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 LEU MDX 99 LEU HG 3.50 (# 3084:20 Unique 2.40, 2.67 A)
&rst
ixpk= 3084, nxpk= 20, iat= -1,1506, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1508,1509,1510,1512,1513,1514,
&end
#
# 99 LEU MDY 99 LEU HN 4.50 (# 762:10 Unique 3.79, 4.84 A)
&rst
ixpk= 762, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 20-2:7 74 THR HB 4.50 (# 7:20 Single Ambig)
&rst
ixpk= 7, nxpk= 20, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1103, 330, 318,
&end
#
# 0 AMB 20-2:13 74 THR HB 4.50 (# 13:20 Single Ambig)
&rst
ixpk= 13, nxpk= 20, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1149,1150,1151,1153,1154,1155,1328,1329,1330,1332,
1333,1334,1130,1131,1132,1134,1135,1136,
&end
#
# 0 AMB 20-2:14 86 THR HB 4.50 (# 14:20 Single Ambig)
&rst
ixpk= 14, nxpk= 20, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1149,1150,1151,1153,1154,1155,1328,1329,1330,1332,
1333,1334,1256,1257,1258,1260,1261,1262,
&end
#
# 0 AMB 20-2:16 86 THR HB 4.50 (# 16:20 Single Ambig)
&rst
ixpk= 16, nxpk= 20, iat= -1,1301, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1147,1036,1037,1038,1040,1041,1042,
&end
#
# 0 AMB 20-2:41 63 THR HB 4.50 (# 41:20 Single Ambig)
&rst
ixpk= 41, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 984, 985,1057,1058,1059,
&end
#
# 0 AMB 20-2:48 63 THR HB 5.50 (# 48:20 Single Ambig)
&rst
ixpk= 48, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1010,1019,1002,
&end
#
# 0 AMB 20-2:52 63 THR HB 5.50 (# 52:20 Single Ambig)
&rst
ixpk= 52, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 980, 98,
&end
#
# 0 AMB 20-2:59 100 VAL HA 4.50 (# 59:20 Single Ambig)
&rst
ixpk= 59, nxpk= 20, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1548,1499,
&end
#
# 0 AMB 20-2:62 0 AMB 20-1:62 3.50 (# 62:20 Double Ambig)
&rst
ixpk= 62, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1165,1166,1167,1169,1170,1171, 570, 571, 572, 574,
575, 576,
igr2=1520, 547,
&end
#
# 0 AMB 20-2:63 0 AMB 20-1:63 3.50 (# 63:20 Double Ambig)
&rst
ixpk= 63, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1165,1166,1167,1169,1170,1171, 619, 620, 621, 623,
624, 625, 296, 297, 298, 300, 301, 302,
igr2=1520, 547,
&end
#
# 0 AMB 20-2:64 100 VAL HA 2.80 (# 64:20 Single Ambig)
&rst
ixpk= 64, nxpk= 20, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1524,1525,1526,1528,1529,1530,1524,1525,1526,1528,
1529,1530,
&end
#
# 0 AMB 20-2:65 0 AMB 20-1:65 4.50 (# 65:20 Double Ambig)
&rst
ixpk= 65, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1503,1504,1591,1592,1411,1412,1552,1553,
igr2=1520, 547,
&end
#
# 0 AMB 20-2:72 0 AMB 20-1:72 3.50 (# 72:20 Double Ambig)
&rst
ixpk= 72, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1518, 561,
igr2=1520, 547,
&end
#
# 0 AMB 20-2:78 83 VAL HA 3.50 (# 78:20 Single Ambig)
&rst
ixpk= 78, nxpk= 20, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1282,1235,
&end
#
# 0 AMB 20-2:80 83 VAL HA 4.50 (# 80:20 Single Ambig)
&rst
ixpk= 80, nxpk= 20, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1268,1237,
&end
#
# 0 AMB 20-2:96 0 AMB 20-1:96 4.50 (# 96:20 Double Ambig)
&rst
ixpk= 96, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1050,1051,1326,
igr2=1067,1068,1067,1068,
&end
#
# 0 AMB 20-2:101 11 PHE HA 4.50 (# 101:20 Single Ambig)
&rst
ixpk= 101, nxpk= 20, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 193, 183,
&end
#
# 0 AMB 20-2:107 0 AMB 20-1:107 5.50 (# 107:20 Double Ambig)
&rst
ixpk= 107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 200, 201,1053,1054,
igr2= 154,1032,
&end
#
# 0 AMB 20-2:111 0 AMB 20-1:111 5.50 (# 111:20 Double Ambig)
&rst
ixpk= 111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 967, 968, 969, 187, 188, 189, 795,
igr2=1032, 154,
&end
#
# 0 AMB 20-2:119 69 VAL HA 4.50 (# 119:20 Single Ambig)
&rst
ixpk= 119, nxpk= 20, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1113,1114,1115,1303,1304,1305,
&end
#
# 0 AMB 20-2:121 87 SER HB- 4.50 (# 121:20 Single Ambig)
&rst
ixpk= 121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1125,1126,1375,1376,
igr2=1315,1316,
&end
#
# 0 AMB 20-2:128 0 AMB 20-1:128 5.50 (# 128:20 Double Ambig)
&rst
ixpk= 128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
1462,1463,
igr2=1315,1316,1315,1316,
&end
#
# 0 AMB 20-2:131 0 AMB 20-1:131 3.50 (# 131:20 Double Ambig)
&rst
ixpk= 131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1130,1131,1132,1134,1135,1136,1508,1509,1510,1512,
1513,1514,
igr2=1315,1316,1315,1316,
&end
#
# 0 AMB 20-2:132 0 AMB 20-1:132 5.50 (# 132:20 Double Ambig)
&rst
ixpk= 132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1113,1114,1115,1303,1304,1305,
igr2=1315,1316,1315,1316,
&end
#
# 0 AMB 20-2:133 0 AMB 20-1:133 4.50 (# 133:20 Double Ambig)
&rst
ixpk= 133, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1125,1126,1375,1376,
igr2=1315,1316,1315,1316,
&end
#
# 0 AMB 20-2:143 93 LYS HA 3.50 (# 143:20 Single Ambig)
&rst
ixpk= 143, nxpk= 20, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1405,1406,1452,1453,
&end
#
# 0 AMB 20-2:144 93 LYS HA 4.50 (# 144:20 Single Ambig)
&rst
ixpk= 144, nxpk= 20, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1411,1412, 617, 614, 615,
&end
#
# 0 AMB 20-2:145 93 LYS HA 4.50 (# 145:20 Single Ambig)
&rst
ixpk= 145, nxpk= 20, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1455,1369,1370,
&end
#
# 0 AMB 20-2:146 93 LYS HA 3.50 (# 146:20 Single Ambig)
&rst
ixpk= 146, nxpk= 20, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 551, 552, 553, 555, 556, 557,1408,1409,
&end
#
# 0 AMB 20-2:150 93 LYS HA 5.50 (# 150:20 Single Ambig)
&rst
ixpk= 150, nxpk= 20, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1394,1395, 549,1430,1431, 665, 666,
&end
#
# 0 AMB 20-2:151 93 LYS HA 5.50 (# 151:20 Single Ambig)
&rst
ixpk= 151, nxpk= 20, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 599, 600,1394,1395, 665, 666,
&end
#
# 0 AMB 20-2:172 97 GLN HA 5.50 (# 172:20 Single Ambig)
&rst
ixpk= 172, nxpk= 20, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 617,1503,1504,
&end
#
# 0 AMB 20-2:176 97 GLN HA 2.80 (# 176:20 Single Ambig)
&rst
ixpk= 176, nxpk= 20, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1522,1471,1472,
&end
#
# 0 AMB 20-2:181 97 GLN HA 5.50 (# 181:20 Single Ambig)
&rst
ixpk= 181, nxpk= 20, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1448,1583,
&end
#
# 0 AMB 20-2:188 66 LYS HA 3.50 (# 188:20 Single Ambig)
&rst
ixpk= 188, nxpk= 20, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1002,1010,1019,
&end
#
# 0 AMB 20-2:192 40 GLU HA 3.50 (# 192:20 Single Ambig)
&rst
ixpk= 192, nxpk= 20, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 595, 641,
&end
#
# 0 AMB 20-2:200 0 AMB 20-1:200 3.50 (# 200:20 Double Ambig)
&rst
ixpk= 200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1552,1553,1552,1553,
igr2=1550,1501,
&end
#
# 0 AMB 20-2:201 0 AMB 20-1:201 2.80 (# 201:20 Double Ambig)
&rst
ixpk= 201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1558,1559,1503,1504,1552,1553,1558,1559,
igr2=1550,1501,
&end
#
# 0 AMB 20-2:203 0 AMB 20-1:203 3.50 (# 203:20 Double Ambig)
&rst
ixpk= 203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1555,1556,1555,1556,1555,1556,
igr2=1550,1501,
&end
#
# 104 LEU HN 0 AMB 20-1:206 5.50 (# 206:20 Single Ambig)
&rst
ixpk= 206, nxpk= 20, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1550,1501,
&end
#
# 0 AMB 20-2:207 0 AMB 20-1:207 2.80 (# 207:20 Double Ambig)
&rst
ixpk= 207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1499,1548,
igr2=1501,1550,
&end
#
# 101 ASN HN 0 AMB 20-1:209 4.50 (# 209:20 Single Ambig)
&rst
ixpk= 209, nxpk= 20, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1501,1550,
&end
#
# 0 AMB 20-2:212 0 AMB 20-1:212 3.50 (# 212:20 Double Ambig)
&rst
ixpk= 212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 561,1518,
igr2= 523,1450,
&end
#
# 0 AMB 20-2:216 96 LEU HA 2.80 (# 216:20 Single Ambig)
&rst
ixpk= 216, nxpk= 20, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
1462,1463,
&end
#
# 0 AMB 20-2:219 0 AMB 20-1:219 3.50 (# 219:20 Double Ambig)
&rst
ixpk= 219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 521,1499,
igr2= 523,1450,
&end
#
# 0 AMB 20-2:220 0 AMB 20-1:220 4.50 (# 220:20 Double Ambig)
&rst
ixpk= 220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 580,1479,1480,
igr2= 523,1450,
&end
#
# 0 AMB 20-2:223 0 AMB 20-1:223 3.50 (# 223:20 Double Ambig)
&rst
ixpk= 223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 508, 509, 510,1524,1525,1526,1528,1529,1530,
igr2= 523,1450,
&end
#
# 0 AMB 20-2:229 0 AMB 20-1:229 4.50 (# 229:20 Double Ambig)
&rst
ixpk= 229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 633, 634,1538,1539,1574,1575,
igr2= 643,1550,
&end
#
# 0 AMB 20-2:234 42 LEU HA 4.50 (# 234:20 Single Ambig)
&rst
ixpk= 234, nxpk= 20, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 641, 595,
&end
#
# 0 AMB 20-2:238 42 LEU HA 3.50 (# 238:20 Single Ambig)
&rst
ixpk= 238, nxpk= 20, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 665, 666, 599, 600, 645, 646,
&end
#
# 0 AMB 20-2:239 42 LEU HA 2.80 (# 239:20 Single Ambig)
&rst
ixpk= 239, nxpk= 20, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 617, 614, 615,
&end
#
# 0 AMB 20-2:241 42 LEU HA 2.80 (# 241:20 Single Ambig)
&rst
ixpk= 241, nxpk= 20, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 619, 620, 621, 623, 624, 625, 619, 620, 621, 623,
624, 625,
&end
#
# 0 AMB 20-2:242 39 LEU HA 2.80 (# 242:20 Single Ambig)
&rst
ixpk= 242, nxpk= 20, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
575, 576,
&end
#
# 0 AMB 20-2:243 39 LEU HA 3.50 (# 243:20 Single Ambig)
&rst
ixpk= 243, nxpk= 20, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 565, 566, 551, 552, 553, 555, 556, 557,
&end
#
# 0 AMB 20-2:245 39 LEU HA 3.50 (# 245:20 Single Ambig)
&rst
ixpk= 245, nxpk= 20, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 561, 595,
&end
#
# 0 AMB 20-2:247 41 GLU HA 2.80 (# 247:20 Single Ambig)
&rst
ixpk= 247, nxpk= 20, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 595, 641,
&end
#
# 0 AMB 20-2:250 41 GLU HA 3.50 (# 250:20 Single Ambig)
&rst
ixpk= 250, nxpk= 20, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 602, 603, 648, 649,
&end
#
# 0 AMB 20-2:251 41 GLU HA 2.80 (# 251:20 Single Ambig)
&rst
ixpk= 251, nxpk= 20, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 645, 646, 599, 600,
&end
#
# 0 AMB 20-2:252 41 GLU HA 4.50 (# 252:20 Single Ambig)
&rst
ixpk= 252, nxpk= 20, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1411,1412, 614, 615, 617,
&end
#
# 0 AMB 20-2:253 41 GLU HA 5.50 (# 253:20 Single Ambig)
&rst
ixpk= 253, nxpk= 20, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 619, 620, 621, 623, 624, 625, 44, 45, 46,
&end
#
# 0 AMB 20-2:262 0 AMB 20-1:262 3.50 (# 262:20 Double Ambig)
&rst
ixpk= 262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1474,1475, 941, 942,1430,1431,
igr2=1425, 936,
&end
#
# 0 AMB 20-2:263 0 AMB 20-1:263 2.80 (# 263:20 Double Ambig)
&rst
ixpk= 263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 938, 939,1427,1428,
igr2= 936,1425,
&end
#
# 0 AMB 20-2:264 94 GLU HA 4.50 (# 264:20 Single Ambig)
&rst
ixpk= 264, nxpk= 20, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1405,1406,1452,1453,
&end
#
# 0 AMB 20-2:266 0 AMB 20-1:266 4.50 (# 266:20 Double Ambig)
&rst
ixpk= 266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 967, 968, 969,1442,1443,1444,1455,
igr2= 936,1425,
&end
#
# 0 AMB 20-2:281 98 GLU HA 3.50 (# 281:20 Single Ambig)
&rst
ixpk= 281, nxpk= 20, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1499,1548,
&end
#
# 0 AMB 20-2:284 98 GLU HA 3.50 (# 284:20 Single Ambig)
&rst
ixpk= 284, nxpk= 20, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1538,1539,1561,1562,
&end
#
# 0 AMB 20-2:288 96 LEU HA 3.50 (# 288:20 Single Ambig)
&rst
ixpk= 288, nxpk= 20, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1455,1369,1370,
&end
#
# 0 AMB 20-2:290 64 ALA HA 4.50 (# 290:20 Single Ambig)
&rst
ixpk= 290, nxpk= 20, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1036,1037,1038,1040,1041,1042,1147,
&end
#
# 0 AMB 20-2:291 64 ALA HA 4.50 (# 291:20 Single Ambig)
&rst
ixpk= 291, nxpk= 20, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 866, 867, 868, 870, 871, 872, 310, 311, 312,
&end
#
# 0 AMB 20-2:293 64 ALA HA 3.50 (# 293:20 Single Ambig)
&rst
ixpk= 293, nxpk= 20, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1034,1057,1058,1059,
&end
#
# 0 AMB 20-2:304 13 ALA HA 3.50 (# 304:20 Single Ambig)
&rst
ixpk= 304, nxpk= 20, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 183, 193,
&end
#
# 0 AMB 20-2:309 56 ASP HA 5.50 (# 309:20 Single Ambig)
&rst
ixpk= 309, nxpk= 20, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 376, 377, 378, 839, 840,
&end
#
# 0 AMB 20-2:324 0 AMB 20-1:324 4.50 (# 324:20 Double Ambig)
&rst
ixpk= 324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1087,1088,1089, 406,
igr2= 374,1094,1095,
&end
#
# 0 AMB 20-2:325 0 AMB 20-1:325 4.50 (# 325:20 Double Ambig)
&rst
ixpk= 325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.24, r4= 9.74,
igr1= 866, 867, 868, 870, 871, 872, 515, 516, 517,1328,
1329,1330,1332,1333,1334,
igr2= 374,1094,1095,1094,1095,
&end
#
# 0 AMB 20-2:328 0 AMB 20-1:328 4.50 (# 328:20 Double Ambig)
&rst
ixpk= 328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 352, 353, 352, 353,
igr2= 374,1094,1095,
&end
#
# 0 AMB 20-2:337 0 AMB 20-1:337 4.50 (# 337:20 Double Ambig)
&rst
ixpk= 337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 541, 504,
igr2= 532, 533, 532, 533,
&end
#
# 0 AMB 20-2:346 37 PRO HD- 4.50 (# 346:20 Single Ambig)
&rst
ixpk= 346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 541, 504,
igr2= 532, 533,
&end
#
# 0 AMB 20-2:347 0 AMB 20-1:347 4.50 (# 347:20 Double Ambig)
&rst
ixpk= 347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 487, 454,
igr2= 532, 533,1094,1095,
&end
#
# 0 AMB 20-2:351 0 AMB 20-1:351 3.50 (# 351:20 Double Ambig)
&rst
ixpk= 351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 442, 443, 538, 539, 425,
igr2=1094,1095, 532, 533,
&end
#
# 0 AMB 20-2:353 0 AMB 20-1:353 4.50 (# 353:20 Double Ambig)
&rst
ixpk= 353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 424, 551, 552, 553, 555, 556, 557,
igr2=1094,1095, 532, 533,
&end
#
# 0 AMB 20-2:356 0 AMB 20-1:356 3.50 (# 356:20 Double Ambig)
&rst
ixpk= 356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1442,1443,1444,1369,1370,
igr2=1388,1389,1388,1389,
&end
#
# 0 AMB 20-2:357 92 PRO HD- 3.50 (# 357:20 Single Ambig)
&rst
ixpk= 357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1442,1443,1444,1369,1370,
igr2=1388,1389,
&end
#
# 0 AMB 20-2:372 0 AMB 20-1:372 4.50 (# 372:20 Double Ambig)
&rst
ixpk= 372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1353,1361,1438,
igr2=1388,1389,1388,1389,
&end
#
# 0 AMB 20-2:386 0 AMB 20-1:386 5.50 (# 386:20 Double Ambig)
&rst
ixpk= 386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 363, 372,
igr2= 383, 384, 383, 384,
&end
#
# 0 AMB 20-2:388 0 AMB 20-1:388 3.50 (# 388:20 Double Ambig)
&rst
ixpk= 388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 442, 443, 425,
igr2= 439, 440, 439, 440,
&end
#
# 0 AMB 20-2:408 22 ALA HA 5.50 (# 408:20 Single Ambig)
&rst
ixpk= 408, nxpk= 20, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 814, 815,1179,1180,1125,1126,1182,
&end
#
# 0 AMB 20-2:410 22 ALA HA 5.50 (# 410:20 Single Ambig)
&rst
ixpk= 410, nxpk= 20, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 835, 836, 837, 214, 215, 216,
&end
#
# 0 AMB 20-2:412 22 ALA HA 4.50 (# 412:20 Single Ambig)
&rst
ixpk= 412, nxpk= 20, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1= 277, 278, 279, 281, 282, 283, 296, 297, 298, 300,
301, 302, 778, 779, 780,1184,1185,1186,1188,1189,
1190,
&end
#
# 0 AMB 20-2:413 22 ALA HA 4.50 (# 413:20 Single Ambig)
&rst
ixpk= 413, nxpk= 20, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 277, 278, 279, 281, 282, 283, 296, 297, 298, 300,
301, 302,1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:414 22 ALA HA 5.50 (# 414:20 Single Ambig)
&rst
ixpk= 414, nxpk= 20, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1130,1131,1132,1134,1135,1136, 782, 783,
&end
#
# 0 AMB 20-2:416 22 ALA HA 4.50 (# 416:20 Single Ambig)
&rst
ixpk= 416, nxpk= 20, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 809, 774, 318,
&end
#
# 0 AMB 20-2:419 22 ALA HA 4.50 (# 419:20 Single Ambig)
&rst
ixpk= 419, nxpk= 20, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1140, 829,
&end
#
# 0 AMB 20-2:422 74 THR HA 4.50 (# 422:20 Single Ambig)
&rst
ixpk= 422, nxpk= 20, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1338,1107,
&end
#
# 0 AMB 20-2:426 74 THR HA 4.50 (# 426:20 Single Ambig)
&rst
ixpk= 426, nxpk= 20, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1128,1125,1126,
&end
#
# 0 AMB 20-2:428 74 THR HA 4.50 (# 428:20 Single Ambig)
&rst
ixpk= 428, nxpk= 20, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1328,1329,1330,1332,1333,1334,1130,1131,1132,1134,
1135,1136,
&end
#
# 0 AMB 20-2:430 74 THR HA 5.50 (# 430:20 Single Ambig)
&rst
ixpk= 430, nxpk= 20, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1036,1037,1038,1040,1041,1042,1147,
&end
#
# 0 AMB 20-2:434 73 PRO HA 5.50 (# 434:20 Single Ambig)
&rst
ixpk= 434, nxpk= 20, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr1= 515, 516, 517,1130,1131,1132,1134,1135,1136, 866,
867, 868, 870, 871, 872,1328,1329,1330,1332,1333,
1334,
&end
#
# 0 AMB 20-2:444 19 VAL HA 4.50 (# 444:20 Single Ambig)
&rst
ixpk= 444, nxpk= 20, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1198,1199,1201,1202,
&end
#
# 0 AMB 20-2:446 19 VAL HA 3.50 (# 446:20 Single Ambig)
&rst
ixpk= 446, nxpk= 20, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 261, 262, 263, 265, 266, 267, 277, 278, 279, 281,
282, 283,
&end
#
# 0 AMB 20-2:453 77 VAL HA 5.50 (# 453:20 Single Ambig)
&rst
ixpk= 453, nxpk= 20, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 291, 292, 310, 311, 312,1256,1257,1258,1260,1261,
1262,
&end
#
# 0 AMB 20-2:454 77 VAL HA 5.50 (# 454:20 Single Ambig)
&rst
ixpk= 454, nxpk= 20, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 294,1182,1179,1180,
&end
#
# 0 AMB 20-2:455 77 VAL HA 3.50 (# 455:20 Single Ambig)
&rst
ixpk= 455, nxpk= 20, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1165,1166,1167,1169,1170,1171,1184,1185,1186,1188,
1189,1190, 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:458 52 ILE HA 2.80 (# 458:20 Single Ambig)
&rst
ixpk= 458, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 791, 772,
&end
#
# 0 AMB 20-2:460 52 ILE HA 4.50 (# 460:20 Single Ambig)
&rst
ixpk= 460, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 754, 755, 735, 736,
&end
#
# 0 AMB 20-2:462 52 ILE HA 2.80 (# 462:20 Single Ambig)
&rst
ixpk= 462, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 778, 779, 780, 740, 741, 742, 744, 745, 746, 277,
278, 279, 281, 282, 283,
&end
#
# 0 AMB 20-2:466 20 VAL HA 5.50 (# 466:20 Single Ambig)
&rst
ixpk= 466, nxpk= 20, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 754, 755, 275,
&end
#
# 0 AMB 20-2:468 20 VAL HA 3.50 (# 468:20 Single Ambig)
&rst
ixpk= 468, nxpk= 20, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 740, 741, 742, 744, 745, 746, 740, 741, 742, 744,
745, 746, 277, 278, 279, 281, 282, 283,
&end
#
# 0 AMB 20-2:472 0 AMB 20-1:472 4.50 (# 472:20 Double Ambig)
&rst
ixpk= 472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 92, 93, 94, 833,1201,1202,
igr2= 793, 273,
&end
#
# 0 AMB 20-2:473 24 PHE HA 3.50 (# 473:20 Single Ambig)
&rst
ixpk= 473, nxpk= 20, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 866, 867, 868, 870, 871, 872, 833, 310, 311, 312,
&end
#
# 0 AMB 20-2:484 79 LYS HA 3.50 (# 484:20 Single Ambig)
&rst
ixpk= 484, nxpk= 20, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1201,1202,1198,1199,
&end
#
# 0 AMB 20-2:499 54 LYS HA 5.50 (# 499:20 Single Ambig)
&rst
ixpk= 499, nxpk= 20, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 37, 38, 39, 570, 571, 572, 574, 575, 576, 570,
571, 572, 574, 575, 576,
&end
#
# 0 AMB 20-2:504 25 TRP HA 5.50 (# 504:20 Single Ambig)
&rst
ixpk= 504, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1084,1085, 866, 867, 868, 870, 871, 872,
&end
#
# 0 AMB 20-2:509 25 TRP HA 5.50 (# 509:20 Single Ambig)
&rst
ixpk= 509, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1107,1074,
&end
#
# 0 AMB 20-2:515 78 LEU HA 4.50 (# 515:20 Single Ambig)
&rst
ixpk= 515, nxpk= 20, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1282,1235,
&end
#
# 0 AMB 20-2:517 78 LEU HA 5.50 (# 517:20 Single Ambig)
&rst
ixpk= 517, nxpk= 20, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1198,1199, 275,
&end
#
# 0 AMB 20-2:519 78 LEU HA 3.50 (# 519:20 Single Ambig)
&rst
ixpk= 519, nxpk= 20, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1179,1180,1182,
&end
#
# 0 AMB 20-2:522 78 LEU HA 3.50 (# 522:20 Single Ambig)
&rst
ixpk= 522, nxpk= 20, iat= -1,1177, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1184,1185,1186,1188,1189,1190,1165,1166,1167,1169,
1170,1171,
&end
#
# 0 AMB 20-2:525 0 AMB 20-1:525 3.50 (# 525:20 Double Ambig)
&rst
ixpk= 525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1140, 271,
igr2=1142, 289,
&end
#
# 0 AMB 20-2:531 76 LEU HA 4.50 (# 531:20 Single Ambig)
&rst
ixpk= 531, nxpk= 20, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1303,1304,1305,1113,1114,1115,
&end
#
# 0 AMB 20-2:533 0 AMB 20-1:533 3.50 (# 533:20 Double Ambig)
&rst
ixpk= 533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 294,1125,1126,
igr2= 289,1142,
&end
#
# 0 AMB 20-2:534 0 AMB 20-1:534 2.80 (# 534:20 Double Ambig)
&rst
ixpk= 534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1149,1150,1151,1153,1154,1155, 296, 297, 298, 300,
301, 302,1165,1166,1167,1169,1170,1171,
igr2=1142, 289,
&end
#
# 0 AMB 20-2:537 0 AMB 20-1:537 4.50 (# 537:20 Double Ambig)
&rst
ixpk= 537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 287, 949,
igr2= 289, 905,
&end
#
# 0 AMB 20-2:543 60 ASN HA 3.50 (# 543:20 Single Ambig)
&rst
ixpk= 543, nxpk= 20, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 116, 117, 907, 908,
&end
#
# 0 AMB 20-2:547 23 ASP HA 4.50 (# 547:20 Single Ambig)
&rst
ixpk= 547, nxpk= 20, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1128,1144,1145,
&end
#
# 0 AMB 20-2:552 23 ASP HA 2.80 (# 552:20 Single Ambig)
&rst
ixpk= 552, nxpk= 20, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 328, 316,
&end
#
# 0 AMB 20-2:576 25 TRP HZ2 5.50 (# 576:20 Single Ambig)
&rst
ixpk= 576, nxpk= 20, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 389, 390, 820, 821,
&end
#
# 0 AMB 20-2:581 67 TYR HE 5.50 (# 581:20 Single Ambig)
&rst
ixpk= 581, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1006,1007, 156, 157,
igr2=1012,1017,
&end
#
# 0 AMB 20-2:586 67 TYR HE 3.50 (# 586:20 Single Ambig)
&rst
ixpk= 586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1184,1185,1186,1188,1189,1190,1147,
igr2=1012,1017,
&end
#
# 0 AMB 20-2:589 75 LEU HA 4.50 (# 589:20 Single Ambig)
&rst
ixpk= 589, nxpk= 20, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 328,1311,
&end
#
# 0 AMB 20-2:596 75 LEU HA 5.50 (# 596:20 Single Ambig)
&rst
ixpk= 596, nxpk= 20, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 310, 311, 312, 291, 292,
&end
#
# 0 AMB 20-2:597 75 LEU HA 4.50 (# 597:20 Single Ambig)
&rst
ixpk= 597, nxpk= 20, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1113,1114,1115,1303,1304,1305,
&end
#
# 0 AMB 20-2:598 75 LEU HA 4.50 (# 598:20 Single Ambig)
&rst
ixpk= 598, nxpk= 20, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 296, 297, 298, 300, 301, 302,1149,1150,1151,1153,
1154,1155,
&end
#
# 0 AMB 20-2:603 0 AMB 20-1:603 3.50 (# 603:20 Double Ambig)
&rst
ixpk= 603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 222, 336, 344,
igr2= 226, 227, 862,
&end
#
# 0 AMB 20-2:620 12 SER HA 3.50 (# 620:20 Single Ambig)
&rst
ixpk= 620, nxpk= 20, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 183, 193,
&end
#
# 0 AMB 20-2:641 0 AMB 20-1:641 3.50 (# 641:20 Double Ambig)
&rst
ixpk= 641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 224, 226, 227,
igr2=1230,1231,1230,1231,
&end
#
# 0 AMB 20-2:643 0 AMB 20-1:643 4.50 (# 643:20 Double Ambig)
&rst
ixpk= 643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1179,1180,1182,
igr2=1230,1231,1230,1231,
&end
#
# 0 AMB 20-2:653 0 AMB 20-1:653 5.50 (# 653:20 Double Ambig)
&rst
ixpk= 653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 257,1196,
igr2= 250, 251, 250, 251,
&end
#
# 0 AMB 20-2:654 18 GLY HA- 5.50 (# 654:20 Single Ambig)
&rst
ixpk= 654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 257,1196,
igr2= 250, 251,
&end
#
# 0 AMB 20-2:661 18 GLY HA- 5.50 (# 661:20 Single Ambig)
&rst
ixpk= 661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 237, 238, 754, 755,1204,1205,
igr2= 250, 251,
&end
#
# 0 AMB 20-2:662 0 AMB 20-1:662 5.50 (# 662:20 Double Ambig)
&rst
ixpk= 662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 237, 238, 754, 755,1204,1205,
igr2= 250, 251, 250, 251, 250, 251,
&end
#
# 0 AMB 20-2:665 0 AMB 20-1:665 5.50 (# 665:20 Double Ambig)
&rst
ixpk= 665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 261, 262, 263, 265, 266, 267, 277, 278, 279, 281,
282, 283,
igr2= 250, 251, 250, 251,
&end
#
# 0 AMB 20-2:666 18 GLY HA- 5.50 (# 666:20 Single Ambig)
&rst
ixpk= 666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 261, 262, 263, 265, 266, 267, 277, 278, 279, 281,
282, 283,
igr2= 250, 251,
&end
#
# 0 AMB 20-2:671 0 AMB 20-1:671 5.50 (# 671:20 Double Ambig)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1378,1379,1349,1350,
igr2=1340,1341,1340,1341,
&end
#
# 0 AMB 20-2:674 0 AMB 20-1:674 4.50 (# 674:20 Double Ambig)
&rst
ixpk= 674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1328,1329,1330,1332,1333,1334, 515, 516, 517,
igr2=1340,1341,1340,1341,
&end
#
# 0 AMB 20-2:679 58 ASP HB- 4.50 (# 679:20 Single Ambig)
&rst
ixpk= 679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 895, 896, 864,
igr2= 880, 881,
&end
#
# 0 AMB 20-2:680 58 ASP HB- 4.50 (# 680:20 Single Ambig)
&rst
ixpk= 680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 895, 896, 892, 893,
igr2= 880, 881,
&end
#
# 0 AMB 20-2:692 0 AMB 20-1:692 3.50 (# 692:20 Double Ambig)
&rst
ixpk= 692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 154,1094,1095,
igr2= 156, 157,1349,1350,
&end
#
# 0 AMB 20-2:705 0 AMB 20-1:705 4.50 (# 705:20 Double Ambig)
&rst
ixpk= 705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 114, 448,
igr2= 156, 157,1349,1350,
&end
#
# 0 AMB 20-2:709 0 AMB 20-1:709 4.50 (# 709:20 Double Ambig)
&rst
ixpk= 709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1094,1095,1340,1341,
igr2=1349,1350,1349,1350,
&end
#
# 0 AMB 20-2:722 24 PHE HB- 3.50 (# 722:20 Single Ambig)
&rst
ixpk= 722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1036,1037,1038,1040,1041,1042,1080,1081,1082,1149,
1150,1151,1153,1154,1155,
igr2= 332, 333,
&end
#
# 0 AMB 20-2:729 0 AMB 20-1:729 4.50 (# 729:20 Double Ambig)
&rst
ixpk= 729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1=1256,1257,1258,1260,1261,1262, 833,
igr2=1006,1007, 156, 157,
&end
#
# 0 AMB 20-2:731 67 TYR HB- 5.50 (# 731:20 Single Ambig)
&rst
ixpk= 731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 965,1025,1026,
igr2=1006,1007,
&end
#
# 0 AMB 20-2:734 67 TYR HB- 3.50 (# 734:20 Single Ambig)
&rst
ixpk= 734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1010,1019,1002,
igr2=1006,1007,
&end
#
# 0 AMB 20-2:772 103 HIS HB- 4.50 (# 772:20 Single Ambig)
&rst
ixpk= 772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 261, 262, 263, 265, 266, 267,1508,1509,1510,1512,
1513,1514, 740, 741, 742, 744, 745, 746,
igr2=1574,1575,
&end
#
# 0 AMB 20-2:786 0 AMB 20-1:786 4.50 (# 786:20 Double Ambig)
&rst
ixpk= 786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1103, 330, 318,
igr2= 352, 353, 352, 353, 352, 353,
&end
#
# 0 AMB 20-2:789 101 ASN HB- 3.50 (# 789:20 Single Ambig)
&rst
ixpk= 789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1548,1499,
igr2=1538,1539,
&end
#
# 0 AMB 20-2:792 0 AMB 20-1:792 4.50 (# 792:20 Double Ambig)
&rst
ixpk= 792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1548,1499,
igr2=1538,1539,1538,1539,
&end
#
# 0 AMB 20-2:803 101 ASN HB- 5.50 (# 803:20 Single Ambig)
&rst
ixpk= 803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1596,1597,1598,1600,1601,1602,1524,1525,1526,1528,
1529,1530,
igr2=1538,1539,
&end
#
# 0 AMB 20-2:805 0 AMB 20-1:805 3.50 (# 805:20 Double Ambig)
&rst
ixpk= 805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1036,1037,1038,1040,1041,1042,1080,1081,1082,1149,
1150,1151,1153,1154,1155,
igr2= 332, 333, 332, 333, 332, 333,
&end
#
# 0 AMB 20-2:806 0 AMB 20-1:806 4.50 (# 806:20 Double Ambig)
&rst
ixpk= 806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1= 866, 867, 868, 870, 871, 872,1596,1597,1598,1600,
1601,1602,1596,1597,1598,1600,1601,1602,
igr2= 332, 333,1538,1539,1538,1539,
&end
#
# 0 AMB 20-2:818 0 AMB 20-1:818 5.50 (# 818:20 Double Ambig)
&rst
ixpk= 818, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1438, 136, 137,
igr2=1430,1431, 941, 942,
&end
#
# 0 AMB 20-2:820 0 AMB 20-1:820 3.50 (# 820:20 Double Ambig)
&rst
ixpk= 820, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 936,1425,
igr2= 941, 942,1430,1431,
&end
#
# 0 AMB 20-2:822 0 AMB 20-1:822 5.50 (# 822:20 Double Ambig)
&rst
ixpk= 822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1442,1443,1444, 839, 840,
igr2=1430,1431, 895, 896,
&end
#
# 0 AMB 20-2:827 0 AMB 20-1:827 4.50 (# 827:20 Double Ambig)
&rst
ixpk= 827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 876, 248,
igr2= 895, 896, 240, 241,
&end
#
# 0 AMB 20-2:828 0 AMB 20-1:828 3.50 (# 828:20 Double Ambig)
&rst
ixpk= 828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 233, 929, 930,
igr2= 240, 241, 941, 942,
&end
#
# 0 AMB 20-2:862 0 AMB 20-1:862 4.50 (# 862:20 Double Ambig)
&rst
ixpk= 862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 929, 930, 136, 137,
igr2= 924, 925, 131, 132,
&end
#
# 0 AMB 20-2:863 0 AMB 20-1:863 4.50 (# 863:20 Double Ambig)
&rst
ixpk= 863, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 929, 930, 136, 137,
igr2= 924, 925, 131, 132,
&end
#
# 0 AMB 20-2:864 0 AMB 20-1:864 4.50 (# 864:20 Double Ambig)
&rst
ixpk= 864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 658, 141,
igr2= 648, 649, 131, 132,
&end
#
# 0 AMB 20-2:865 0 AMB 20-1:865 5.50 (# 865:20 Double Ambig)
&rst
ixpk= 865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 658, 141,
igr2= 648, 649, 131, 132,
&end
#
# 0 AMB 20-2:868 0 AMB 20-1:868 4.50 (# 868:20 Double Ambig)
&rst
ixpk= 868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 653, 654, 929, 930,
igr2= 648, 649, 924, 925,
&end
#
# 0 AMB 20-2:869 0 AMB 20-1:869 4.50 (# 869:20 Double Ambig)
&rst
ixpk= 869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 653, 654, 929, 930,
igr2= 648, 649, 924, 925,
&end
#
# 0 AMB 20-2:883 0 AMB 20-1:883 2.80 (# 883:20 Double Ambig)
&rst
ixpk= 883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 126, 919,
igr2= 131, 132, 924, 925,
&end
#
# 0 AMB 20-2:889 73 PRO HB- 4.50 (# 889:20 Single Ambig)
&rst
ixpk= 889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 515, 516, 517,1130,1131,1132,1134,1135,1136,
igr2=1100,1101,
&end
#
# 0 AMB 20-2:893 73 PRO HB- 5.50 (# 893:20 Single Ambig)
&rst
ixpk= 893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1094,1095,1340,1341,
igr2=1100,1101,
&end
#
# 0 AMB 20-2:897 73 PRO HB- 4.50 (# 897:20 Single Ambig)
&rst
ixpk= 897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1107,1338,
igr2=1100,1101,
&end
#
# 0 AMB 20-2:902 55 ILE QD1 2.80 (# 902:20 Single Ambig)
&rst
ixpk= 902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 833, 92, 93, 94,
igr2= 842, 843, 844,
&end
#
# 0 AMB 20-2:915 55 ILE QD1 4.50 (# 915:20 Single Ambig)
&rst
ixpk= 915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 112, 949,
igr2= 842, 843, 844,
&end
#
# 0 AMB 20-2:917 55 ILE QG2 4.50 (# 917:20 Single Ambig)
&rst
ixpk= 917, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 316, 328,
igr2= 835, 836, 837,
&end
#
# 0 AMB 20-2:930 55 ILE QG2 4.50 (# 930:20 Single Ambig)
&rst
ixpk= 930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 831, 100,
igr2= 835, 836, 837,
&end
#
# 0 AMB 20-2:933 55 ILE QG2 4.50 (# 933:20 Single Ambig)
&rst
ixpk= 933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 320, 321, 907, 908,
igr2= 835, 836, 837,
&end
#
# 0 AMB 20-2:935 55 ILE QG2 5.50 (# 935:20 Single Ambig)
&rst
ixpk= 935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1144,1145, 811, 812,
igr2= 835, 836, 837,
&end
#
# 0 AMB 20-2:937 55 ILE QG2 2.80 (# 937:20 Single Ambig)
&rst
ixpk= 937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 833, 310, 311, 312,
igr2= 835, 836, 837,
&end
#
# 0 AMB 20-2:942 72 ILE QD1 3.50 (# 942:20 Single Ambig)
&rst
ixpk= 942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 866, 867, 868, 870, 871, 872,1084,1085,
igr2=1087,1088,1089,
&end
#
# 0 AMB 20-2:946 0 AMB 20-1:946 4.50 (# 946:20 Double Ambig)
&rst
ixpk= 946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1103, 330,
igr2=1087,1088,1089, 842, 843, 844,
&end
#
# 0 AMB 20-2:952 0 AMB 20-1:952 4.50 (# 952:20 Double Ambig)
&rst
ixpk= 952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 374, 154,1094,1095,
igr2=1087,1088,1089, 842, 843, 844,
&end
#
# 0 AMB 20-2:957 84 VAL MGX 4.50 (# 957:20 Single Ambig)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1161,1196,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 0 AMB 20-2:969 84 VAL MGX 3.50 (# 969:20 Single Ambig)
&rst
ixpk= 969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1242,1243,1289,1290,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 0 AMB 20-2:972 84 VAL MGX 3.50 (# 972:20 Single Ambig)
&rst
ixpk= 972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1198,1199,1201,1202,
igr2=1272,1273,1274,1276,1277,1278,
&end
#
# 0 AMB 20-2:979 15 THR MG2 5.50 (# 979:20 Single Ambig)
&rst
ixpk= 979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 273, 793,
igr2= 214, 215, 216,
&end
#
# 0 AMB 20-2:980 15 THR MG2 5.50 (# 980:20 Single Ambig)
&rst
ixpk= 980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 308, 289,
igr2= 214, 215, 216,
&end
#
# 0 AMB 20-2:986 15 THR MG2 4.50 (# 986:20 Single Ambig)
&rst
ixpk= 986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 193, 183,
igr2= 214, 215, 216,
&end
#
# 0 AMB 20-2:987 15 THR MG2 5.50 (# 987:20 Single Ambig)
&rst
ixpk= 987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 791,1194, 807,
igr2= 214, 215, 216,
&end
#
# 0 AMB 20-2:991 15 THR MG2 4.50 (# 991:20 Single Ambig)
&rst
ixpk= 991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 795,1144,1145,
igr2= 214, 215, 216,
&end
#
# 0 AMB 20-2:993 15 THR MG2 2.80 (# 993:20 Single Ambig)
&rst
ixpk= 993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1184,1185,1186,1188,1189,1190, 277, 278, 279, 281,
282, 283,
igr2= 214, 215, 216,
&end
#
# 0 AMB 20-2:997 69 VAL MGX 3.50 (# 997:20 Single Ambig)
&rst
ixpk= 997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 965,1025,1026,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 0 AMB 20-2:1004 69 VAL MGX 4.50 (# 1004:20 Single Ambig)
&rst
ixpk= 1004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1010,1019,1002,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 0 AMB 20-2:1009 69 VAL MGX 5.50 (# 1009:20 Single Ambig)
&rst
ixpk= 1009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 328,1311,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 0 AMB 20-2:1016 69 VAL MGX 3.50 (# 1016:20 Single Ambig)
&rst
ixpk= 1016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1113,1114,1115,1303,1304,1305,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 0 AMB 20-2:1024 0 AMB 20-1:1024 3.50 (# 1024:20 Double Ambig)
&rst
ixpk= 1024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1455,1369,1370,
igr2=1452,1453,1452,1453,
&end
#
# 0 AMB 20-2:1025 0 AMB 20-1:1025 3.50 (# 1025:20 Double Ambig)
&rst
ixpk= 1025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
1462,1463,
igr2=1452,1453,1452,1453,
&end
#
# 0 AMB 20-2:1026 0 AMB 20-1:1026 3.50 (# 1026:20 Double Ambig)
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 619, 620, 621, 623, 624, 625, 619, 620, 621, 623,
624, 625,
igr2=1452,1453,1452,1453,
&end
#
# 0 AMB 20-2:1032 55 ILE HB 5.50 (# 1032:20 Single Ambig)
&rst
ixpk= 1032, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 809, 330,
&end
#
# 0 AMB 20-2:1043 0 AMB 20-1:1043 4.50 (# 1043:20 Double Ambig)
&rst
ixpk= 1043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 614, 615, 617, 35,
igr2= 565, 566, 565, 566, 565, 566,
&end
#
# 0 AMB 20-2:1044 0 AMB 20-1:1044 3.50 (# 1044:20 Double Ambig)
&rst
ixpk= 1044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 778, 779, 780, 785, 786, 787,
igr2= 565, 566, 565, 566,
&end
#
# 0 AMB 20-2:1045 0 AMB 20-1:1045 2.80 (# 1045:20 Double Ambig)
&rst
ixpk= 1045, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
575, 576,
igr2= 565, 566, 565, 566,
&end
#
# 0 AMB 20-2:1046 91 LYS HB- 3.50 (# 1046:20 Single Ambig)
&rst
ixpk= 1046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
1462,1463,
igr2=1369,1370,
&end
#
# 0 AMB 20-2:1047 91 LYS HB- 4.50 (# 1047:20 Single Ambig)
&rst
ixpk= 1047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1130,1131,1132,1134,1135,1136, 515, 516, 517,
igr2=1369,1370,
&end
#
# 0 AMB 20-2:1049 91 LYS HB- 4.50 (# 1049:20 Single Ambig)
&rst
ixpk= 1049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1391,1392,1503,1504,
igr2=1369,1370,
&end
#
# 0 AMB 20-2:1064 0 AMB 20-1:1064 4.50 (# 1064:20 Double Ambig)
&rst
ixpk= 1064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 831, 100,
igr2= 839, 840, 839, 840,
&end
#
# 0 AMB 20-2:1068 0 AMB 20-1:1068 3.50 (# 1068:20 Double Ambig)
&rst
ixpk= 1068, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 833, 866, 867, 868, 870, 871, 872,
igr2= 839, 840, 839, 840,
&end
#
# 0 AMB 20-2:1076 55 ILE HG1- 3.50 (# 1076:20 Single Ambig)
&rst
ixpk= 1076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 831, 100,
igr2= 839, 840,
&end
#
# 0 AMB 20-2:1086 78 LEU HG 3.50 (# 1086:20 Single Ambig)
&rst
ixpk= 1086, nxpk= 20, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1256,1257,1258,1260,1261,1262,1149,1150,1151,1153,
1154,1155,
&end
#
# 0 AMB 20-2:1087 78 LEU HG 2.80 (# 1087:20 Single Ambig)
&rst
ixpk= 1087, nxpk= 20, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
&end
#
# 0 AMB 20-2:1089 91 LYS HD- 5.50 (# 1089:20 Single Ambig)
&rst
ixpk= 1089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1315,1316,1388,1389,
igr2=1375,1376,
&end
#
# 0 AMB 20-2:1096 0 AMB 20-1:1096 4.50 (# 1096:20 Double Ambig)
&rst
ixpk= 1096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1315,1316,1388,1389,
igr2=1375,1376,1375,1376,
&end
#
# 0 AMB 20-2:1102 3 ILE QD1 4.50 (# 1102:20 Single Ambig)
&rst
ixpk= 1102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 50, 772, 807, 791,
igr2= 44, 45, 46,
&end
#
# 0 AMB 20-2:1105 3 ILE QD1 4.50 (# 1105:20 Single Ambig)
&rst
ixpk= 1105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 561, 641, 595,
igr2= 44, 45, 46,
&end
#
# 0 AMB 20-2:1108 3 ILE QD1 5.50 (# 1108:20 Single Ambig)
&rst
ixpk= 1108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 23, 692, 693,
igr2= 44, 45, 46,
&end
#
# 0 AMB 20-2:1115 3 ILE QD1 4.50 (# 1115:20 Single Ambig)
&rst
ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 820, 821, 584, 585,
igr2= 44, 45, 46,
&end
#
# 0 AMB 20-2:1119 3 ILE QD1 3.50 (# 1119:20 Single Ambig)
&rst
ixpk= 1119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 565, 566, 817, 818,
igr2= 44, 45, 46,
&end
#
# 0 AMB 20-2:1120 52 ILE QD1 4.50 (# 1120:20 Single Ambig)
&rst
ixpk= 1120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 772, 791,
igr2= 785, 786, 787,
&end
#
# 0 AMB 20-2:1121 52 ILE QD1 5.50 (# 1121:20 Single Ambig)
&rst
ixpk= 1121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 673, 31, 697,
igr2= 785, 786, 787,
&end
#
# 0 AMB 20-2:1123 52 ILE QD1 5.50 (# 1123:20 Single Ambig)
&rst
ixpk= 1123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 641, 561, 595,
igr2= 785, 786, 787,
&end
#
# 0 AMB 20-2:1127 52 ILE QD1 3.50 (# 1127:20 Single Ambig)
&rst
ixpk= 1127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 563, 612,
igr2= 785, 786, 787,
&end
#
# 0 AMB 20-2:1140 3 ILE QG2 3.50 (# 1140:20 Single Ambig)
&rst
ixpk= 1140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 776, 76, 77, 811, 812,
igr2= 37, 38, 39,
&end
#
# 0 AMB 20-2:1141 3 ILE QG2 2.80 (# 1141:20 Single Ambig)
&rst
ixpk= 1141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 35, 811, 812,
igr2= 37, 38, 39,
&end
#
# 0 AMB 20-2:1145 52 ILE QG2 4.50 (# 1145:20 Single Ambig)
&rst
ixpk= 1145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 308, 289,
igr2= 778, 779, 780,
&end
#
# 0 AMB 20-2:1149 3 ILE QG2 3.50 (# 1149:20 Single Ambig)
&rst
ixpk= 1149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 50, 807,
igr2= 37, 38, 39,
&end
#
# 0 AMB 20-2:1150 52 ILE QG2 3.50 (# 1150:20 Single Ambig)
&rst
ixpk= 1150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 791, 807, 50,
igr2= 778, 779, 780,
&end
#
# 0 AMB 20-2:1158 52 ILE QG2 4.50 (# 1158:20 Single Ambig)
&rst
ixpk= 1158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 811, 812, 614, 615, 35,
igr2= 778, 779, 780,
&end
#
# 0 AMB 20-2:1159 52 ILE QG2 3.50 (# 1159:20 Single Ambig)
&rst
ixpk= 1159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 294, 814, 815,
igr2= 778, 779, 780,
&end
#
# 0 AMB 20-2:1160 52 ILE QG2 3.50 (# 1160:20 Single Ambig)
&rst
ixpk= 1160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 565, 566, 817, 818,
igr2= 778, 779, 780,
&end
#
# 0 AMB 20-2:1161 52 ILE QG2 3.50 (# 1161:20 Single Ambig)
&rst
ixpk= 1161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 291, 292, 814, 815,
igr2= 778, 779, 780,
&end
#
# 0 AMB 20-2:1171 57 VAL MGX 4.50 (# 1171:20 Single Ambig)
&rst
ixpk= 1171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 374,1032,
igr2= 866, 867, 868, 870, 871, 872,
&end
#
# 0 AMB 20-2:1181 72 ILE QG2 5.50 (# 1181:20 Single Ambig)
&rst
ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1067,1068,1094,1095,
igr2=1080,1081,1082,
&end
#
# 0 AMB 20-2:1184 72 ILE QG2 5.50 (# 1184:20 Single Ambig)
&rst
ixpk= 1184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1100,1101,1050,1051,
igr2=1080,1081,1082,
&end
#
# 0 AMB 20-2:1187 72 ILE QG2 3.50 (# 1187:20 Single Ambig)
&rst
ixpk= 1187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 866, 867, 868, 870, 871, 872,1084,1085,
igr2=1080,1081,1082,
&end
#
# 0 AMB 20-2:1191 72 ILE QG2 3.50 (# 1191:20 Single Ambig)
&rst
ixpk= 1191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1103, 330,
igr2=1080,1081,1082,
&end
#
# 0 AMB 20-2:1194 72 ILE QG2 5.50 (# 1194:20 Single Ambig)
&rst
ixpk= 1194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 372, 336, 344,
igr2=1080,1081,1082,
&end
#
# 0 AMB 20-2:1197 72 ILE QG2 3.50 (# 1197:20 Single Ambig)
&rst
ixpk= 1197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1107,1074,
igr2=1080,1081,1082,
&end
#
# 0 AMB 20-2:1199 69 VAL MGY 4.50 (# 1199:20 Single Ambig)
&rst
ixpk= 1199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1107,1074,
igr2=1036,1037,1038,1040,1041,1042,
&end
#
# 0 AMB 20-2:1204 0 AMB 20-1:1204 5.50 (# 1204:20 Double Ambig)
&rst
ixpk= 1204, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1311, 328,
igr2=1165,1166,1167,1169,1170,1171,1036,1037,1038,1040,
1041,1042,
&end
#
# 0 AMB 20-2:1215 0 AMB 20-1:1215 4.50 (# 1215:20 Double Ambig)
&rst
ixpk= 1215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1572,1284,1324,1065,
igr2=1165,1166,1167,1169,1170,1171,1036,1037,1038,1040,
1041,1042,
&end
#
# 0 AMB 20-2:1220 77 VAL MGX 4.50 (# 1220:20 Single Ambig)
&rst
ixpk= 1220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 271,1140,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 0 AMB 20-2:1224 77 VAL MGX 4.50 (# 1224:20 Single Ambig)
&rst
ixpk= 1224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1282,1518,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 0 AMB 20-2:1226 77 VAL MGX 3.50 (# 1226:20 Single Ambig)
&rst
ixpk= 1226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 289,1142,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 0 AMB 20-2:1227 77 VAL MGX 4.50 (# 1227:20 Single Ambig)
&rst
ixpk= 1227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1572,1284,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 0 AMB 20-2:1233 77 VAL MGX 2.80 (# 1233:20 Single Ambig)
&rst
ixpk= 1233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1163,1503,1504,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 0 AMB 20-2:1240 20 VAL MGY 3.50 (# 1240:20 Single Ambig)
&rst
ixpk= 1240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 233, 750,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 0 AMB 20-2:1251 20 VAL MGY 2.80 (# 1251:20 Single Ambig)
&rst
ixpk= 1251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 754, 755, 275,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 0 AMB 20-2:1264 19 VAL MGX 5.50 (# 1264:20 Single Ambig)
&rst
ixpk= 1264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 287,1194,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 0 AMB 20-2:1275 74 THR MG2 4.50 (# 1275:20 Single Ambig)
&rst
ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1311, 328,
igr2=1113,1114,1115,
&end
#
# 0 AMB 20-2:1277 74 THR MG2 4.50 (# 1277:20 Single Ambig)
&rst
ixpk= 1277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1338,1107,
igr2=1113,1114,1115,
&end
#
# 0 AMB 20-2:1284 74 THR MG2 5.50 (# 1284:20 Single Ambig)
&rst
ixpk= 1284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 318, 330,1103,
igr2=1113,1114,1115,
&end
#
# 0 AMB 20-2:1297 38 VAL MGY 3.50 (# 1297:20 Single Ambig)
&rst
ixpk= 1297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 535, 536, 506,
igr2= 551, 552, 553, 555, 556, 557,
&end
#
# 0 AMB 20-2:1306 38 VAL MGY 4.50 (# 1306:20 Single Ambig)
&rst
ixpk= 1306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 532, 533,1450, 523,
igr2= 551, 552, 553, 555, 556, 557,
&end
#
# 0 AMB 20-2:1307 38 VAL MGY 3.50 (# 1307:20 Single Ambig)
&rst
ixpk= 1307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 504,1397,
igr2= 551, 552, 553, 555, 556, 557,
&end
#
# 0 AMB 20-2:1320 7 THR MG2 2.80 (# 1320:20 Single Ambig)
&rst
ixpk= 1320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 100, 831,
igr2= 104, 105, 106,
&end
#
# 0 AMB 20-2:1330 22 ALA MB 4.50 (# 1330:20 Single Ambig)
&rst
ixpk= 1330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 791, 807,
igr2= 310, 311, 312,
&end
#
# 0 AMB 20-2:1332 22 ALA MB 3.50 (# 1332:20 Single Ambig)
&rst
ixpk= 1332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 316, 328,
igr2= 310, 311, 312,
&end
#
# 0 AMB 20-2:1334 22 ALA MB 4.50 (# 1334:20 Single Ambig)
&rst
ixpk= 1334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 318, 330, 809, 774,
igr2= 310, 311, 312,
&end
#
# 0 AMB 20-2:1336 22 ALA MB 3.50 (# 1336:20 Single Ambig)
&rst
ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1144,1145, 795,
igr2= 310, 311, 312,
&end
#
# 0 AMB 20-2:1341 22 ALA MB 3.50 (# 1341:20 Single Ambig)
&rst
ixpk= 1341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 835, 836, 837, 214, 215, 216,
igr2= 310, 311, 312,
&end
#
# 0 AMB 20-2:1343 100 VAL MGY 4.50 (# 1343:20 Single Ambig)
&rst
ixpk= 1343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1499,1548,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 20-2:1350 100 VAL MGY 2.80 (# 1350:20 Single Ambig)
&rst
ixpk= 1350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1522, 684, 685, 686,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 20-2:1351 100 VAL MGY 3.50 (# 1351:20 Single Ambig)
&rst
ixpk= 1351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1591,1592,1503,1504,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 20-2:1365 4 VAL MGY 4.50 (# 1365:20 Single Ambig)
&rst
ixpk= 1365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 79, 80, 763, 764,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 0 AMB 20-2:1376 0 AMB 20-1:1376 3.50 (# 1376:20 Double Ambig)
&rst
ixpk= 1376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1518,1282,
igr2=1524,1525,1526,1528,1529,1530,1256,1257,1258,1260,
1261,1262,
&end
#
# 0 AMB 20-2:1377 100 VAL MGX 4.50 (# 1377:20 Single Ambig)
&rst
ixpk= 1377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1499,1548,
igr2=1524,1525,1526,1528,1529,1530,
&end
#
# 0 AMB 20-2:1382 2 ALA MB 5.50 (# 1382:20 Single Ambig)
&rst
ixpk= 1382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 50, 772,
igr2= 25, 26, 27,
&end
#
# 0 AMB 20-2:1405 0 AMB 20-1:1405 4.50 (# 1405:20 Double Ambig)
&rst
ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1440,1367,
igr2=1391,1392,1391,1392,
&end
#
# 0 AMB 20-2:1417 42 LEU HG 4.50 (# 1417:20 Single Ambig)
&rst
ixpk= 1417, nxpk= 20, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1408,1409, 551, 552, 553, 555, 556, 557,
&end
#
# 0 AMB 20-2:1426 0 AMB 20-1:1426 4.50 (# 1426:20 Double Ambig)
&rst
ixpk= 1426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 400, 401, 374,
igr2= 386, 387, 386, 387,
&end
#
# 0 AMB 20-2:1427 27 PRO HG- 4.50 (# 1427:20 Single Ambig)
&rst
ixpk= 1427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 400, 401, 374,
igr2= 386, 387,
&end
#
# 0 AMB 20-2:1448 50 LEU HG 2.80 (# 1448:20 Single Ambig)
&rst
ixpk= 1448, nxpk= 20, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 740, 741, 742, 744, 745, 746, 740, 741, 742, 744,
745, 746, 261, 262, 263, 265, 266, 267,
&end
#
# 0 AMB 20-2:1450 3 ILE HG1- 4.50 (# 1450:20 Single Ambig)
&rst
ixpk= 1450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 772, 50, 807,
igr2= 41, 42,
&end
#
# 0 AMB 20-2:1470 0 AMB 20-1:1470 4.50 (# 1470:20 Double Ambig)
&rst
ixpk= 1470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 116, 117, 907, 908, 116, 117,
igr2= 921, 922, 921, 922, 128, 129,
&end
#
# 0 AMB 20-2:1471 0 AMB 20-1:1471 5.50 (# 1471:20 Double Ambig)
&rst
ixpk= 1471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 633, 634,1538,1539,
igr2= 584, 585,1471,1472,
&end
#
# 0 AMB 20-2:1472 0 AMB 20-1:1472 2.80 (# 1472:20 Double Ambig)
&rst
ixpk= 1472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 131, 132, 680, 681,
igr2= 128, 129,1471,1472,
&end
#
# 0 AMB 20-2:1473 0 AMB 20-1:1473 4.50 (# 1473:20 Double Ambig)
&rst
ixpk= 1473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1408,1409, 104, 105, 106,
igr2=1471,1472, 128, 129,
&end
#
# 0 AMB 20-2:1474 0 AMB 20-1:1474 4.50 (# 1474:20 Double Ambig)
&rst
ixpk= 1474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1442,1443,1444, 967, 968, 969,1552,1553,
igr2=1488,1489, 921, 922,1488,1489,
&end
#
# 0 AMB 20-2:1482 0 AMB 20-1:1482 2.80 (# 1482:20 Double Ambig)
&rst
ixpk= 1482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1430,1431, 665, 666, 680, 681,
igr2=1427,1428,1471,1472,1471,1472,
&end
#
# 0 AMB 20-2:1510 0 AMB 20-1:1510 3.50 (# 1510:20 Double Ambig)
&rst
ixpk= 1510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 154,1032,
igr2= 197, 198,1034,
&end
#
# 0 AMB 20-2:1514 0 AMB 20-1:1514 2.80 (# 1514:20 Double Ambig)
&rst
ixpk= 1514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1198,1199, 73, 74,1201,1202,
igr2=1204,1205, 76, 77,1204,1205,
&end
#
# 0 AMB 20-2:1516 0 AMB 20-1:1516 2.80 (# 1516:20 Double Ambig)
&rst
ixpk= 1516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 79, 80,1207,1208,
igr2= 76, 77,1204,1205,
&end
#
# 0 AMB 20-2:1518 0 AMB 20-1:1518 4.50 (# 1518:20 Double Ambig)
&rst
ixpk= 1518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 831,1572,
igr2= 76, 77,1204,1205,
&end
#
# 0 AMB 20-2:1521 0 AMB 20-1:1521 5.50 (# 1521:20 Double Ambig)
&rst
ixpk= 1521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1266,1216,
igr2=1204,1205,1204,1205,
&end
#
# 0 AMB 20-2:1523 75 LEU HG 5.50 (# 1523:20 Single Ambig)
&rst
ixpk= 1523, nxpk= 20, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 328,1311, 316,
&end
#
# 0 AMB 20-2:1527 75 LEU HG 5.50 (# 1527:20 Single Ambig)
&rst
ixpk= 1527, nxpk= 20, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1315,1316,1340,1341,
&end
#
# 0 AMB 20-2:1543 0 AMB 20-1:1543 3.50 (# 1543:20 Double Ambig)
&rst
ixpk= 1543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1094,1095,1340,1341,
igr2=1097,1098,1097,1098,
&end
#
# 0 AMB 20-2:1561 0 AMB 20-1:1561 5.50 (# 1561:20 Double Ambig)
&rst
ixpk= 1561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 392, 52,
igr2= 470, 471, 73, 74,
&end
#
# 0 AMB 20-2:1562 0 AMB 20-1:1562 3.50 (# 1562:20 Double Ambig)
&rst
ixpk= 1562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 476, 477, 79, 80,
igr2= 470, 471, 73, 74,
&end
#
# 0 AMB 20-2:1570 0 AMB 20-1:1570 4.50 (# 1570:20 Double Ambig)
&rst
ixpk= 1570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1216,1266,
igr2=1201,1202,1201,1202,
&end
#
# 0 AMB 20-2:1572 79 LYS HG- 3.50 (# 1572:20 Single Ambig)
&rst
ixpk= 1572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 257,1196,
igr2=1201,1202,
&end
#
# 0 AMB 20-2:1573 79 LYS HG- 4.50 (# 1573:20 Single Ambig)
&rst
ixpk= 1573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1216,1266,
igr2=1201,1202,
&end
#
# 0 AMB 20-2:1574 51 LYS HG- 4.50 (# 1574:20 Single Ambig)
&rst
ixpk= 1574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 772, 50, 791,
igr2= 757, 758,
&end
#
# 0 AMB 20-2:1581 54 LYS HG- 4.50 (# 1581:20 Single Ambig)
&rst
ixpk= 1581, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 807, 50,
igr2= 814, 815,
&end
#
# 0 AMB 20-2:1589 0 AMB 20-1:1589 4.50 (# 1589:20 Double Ambig)
&rst
ixpk= 1589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 50, 772, 791,
igr2= 760, 761, 760, 761, 760, 761,
&end
#
# 0 AMB 20-2:1613 0 AMB 20-1:1613 4.50 (# 1613:20 Double Ambig)
&rst
ixpk= 1613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1442,1443,1444,1369,1370,
igr2=1394,1395,1394,1395,
&end
#
# 0 AMB 20-2:1614 92 PRO HB- 5.50 (# 1614:20 Single Ambig)
&rst
ixpk= 1614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1442,1443,1444,1369,1370,
igr2=1394,1395,
&end
#
# 0 AMB 20-2:1622 93 LYS HB- 3.50 (# 1622:20 Single Ambig)
&rst
ixpk= 1622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1408,1409, 551, 552, 553, 555, 556, 557,
igr2=1405,1406,
&end
#
# 0 AMB 20-2:1623 0 AMB 20-1:1623 3.50 (# 1623:20 Double Ambig)
&rst
ixpk= 1623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 104, 105, 106,1408,1409, 987, 988,
igr2= 892, 893,1405,1406, 984, 985,
&end
#
# 0 AMB 20-2:1626 0 AMB 20-1:1626 4.50 (# 1626:20 Double Ambig)
&rst
ixpk= 1626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 993, 994,1414,1415,
igr2= 984, 985,1405,1406,
&end
#
# 0 AMB 20-2:1639 17 GLU HB- 5.50 (# 1639:20 Single Ambig)
&rst
ixpk= 1639, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 250, 251, 226, 227, 224,
igr2= 237, 238,
&end
#
# 0 AMB 20-2:1640 0 AMB 20-1:1640 5.50 (# 1640:20 Double Ambig)
&rst
ixpk= 1640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 250, 251, 226, 227, 224,
igr2= 237, 238, 237, 238, 237, 238,
&end
#
# 0 AMB 20-2:1641 17 GLU HB- 5.50 (# 1641:20 Single Ambig)
&rst
ixpk= 1641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 250, 251, 226, 227,
igr2= 237, 238,
&end
#
# 0 AMB 20-2:1642 0 AMB 20-1:1642 5.50 (# 1642:20 Double Ambig)
&rst
ixpk= 1642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 250, 251, 226, 227,
igr2= 237, 238, 237, 238,
&end
#
# 0 AMB 20-2:1650 0 AMB 20-1:1650 4.50 (# 1650:20 Double Ambig)
&rst
ixpk= 1650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 52,1397,
igr2= 70, 71, 489, 490,
&end
#
# 0 AMB 20-2:1653 0 AMB 20-1:1653 2.80 (# 1653:20 Double Ambig)
&rst
ixpk= 1653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 73, 74, 811, 812,
igr2= 70, 71, 70, 71,
&end
#
# 0 AMB 20-2:1669 4 VAL HB 2.80 (# 1669:20 Single Ambig)
&rst
ixpk= 1669, nxpk= 20, iat= -1, 54, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 56, 57, 58, 60, 61, 62, 56, 57, 58, 60,
61, 62,
&end
#
# 0 AMB 20-2:1679 20 VAL HB 4.50 (# 1679:20 Single Ambig)
&rst
ixpk= 1679, nxpk= 20, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 287,1194,
&end
#
# 0 AMB 20-2:1682 20 VAL HB 5.50 (# 1682:20 Single Ambig)
&rst
ixpk= 1682, nxpk= 20, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1196, 257,
&end
#
# 0 AMB 20-2:1687 20 VAL HB 2.80 (# 1687:20 Single Ambig)
&rst
ixpk= 1687, nxpk= 20, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 277, 278, 279, 281, 282, 283,1184,1185,1186,1188,
1189,1190,
&end
#
# 0 AMB 20-2:1692 0 AMB 20-1:1692 3.50 (# 1692:20 Double Ambig)
&rst
ixpk= 1692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 580,1479,1480,
igr2= 587, 588,1430,1431,
&end
#
# 0 AMB 20-2:1701 0 AMB 20-1:1701 4.50 (# 1701:20 Double Ambig)
&rst
ixpk= 1701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 912, 913, 610,
igr2= 895, 896, 602, 603,
&end
#
# 0 AMB 20-2:1706 0 AMB 20-1:1706 4.50 (# 1706:20 Double Ambig)
&rst
ixpk= 1706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 547, 951,
igr2= 602, 603, 941, 942,
&end
#
# 0 AMB 20-2:1710 0 AMB 20-1:1710 2.80 (# 1710:20 Double Ambig)
&rst
ixpk= 1710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 237, 238, 892, 893,
igr2= 240, 241, 895, 896,
&end
#
# 0 AMB 20-2:1712 0 AMB 20-1:1712 5.50 (# 1712:20 Double Ambig)
&rst
ixpk= 1712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1=1408,1409, 565, 566, 104, 105, 106,
igr2= 602, 603, 587, 588, 895, 896,
&end
#
# 0 AMB 20-2:1728 0 AMB 20-1:1728 3.50 (# 1728:20 Double Ambig)
&rst
ixpk= 1728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 814, 815, 757, 758,
igr2= 811, 812, 754, 755,
&end
#
# 0 AMB 20-2:1731 0 AMB 20-1:1731 4.50 (# 1731:20 Double Ambig)
&rst
ixpk= 1731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 277, 278, 279, 281, 282, 283, 37, 38, 39,
igr2= 754, 755, 811, 812,
&end
#
# 0 AMB 20-2:1741 0 AMB 20-1:1741 3.50 (# 1741:20 Double Ambig)
&rst
ixpk= 1741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1286,1287,1163,
igr2=1289,1290,1289,1290,
&end
#
# 0 AMB 20-2:1748 0 AMB 20-1:1748 2.80 (# 1748:20 Double Ambig)
&rst
ixpk= 1748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 716, 717, 512, 513,
igr2= 713, 714,1100,1101,
&end
#
# 0 AMB 20-2:1754 0 AMB 20-1:1754 5.50 (# 1754:20 Double Ambig)
&rst
ixpk= 1754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 273, 793,
igr2= 754, 755, 754, 755,
&end
#
# 0 AMB 20-2:1756 0 AMB 20-1:1756 4.50 (# 1756:20 Double Ambig)
&rst
ixpk= 1756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 772, 50,
igr2= 754, 755, 754, 755,
&end
#
# 0 AMB 20-2:1770 0 AMB 20-1:1770 3.50 (# 1770:20 Double Ambig)
&rst
ixpk= 1770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1094,1095,1340,1341,
igr2=1100,1101,1100,1101,
&end
#
# 0 AMB 20-2:1771 0 AMB 20-1:1771 4.50 (# 1771:20 Double Ambig)
&rst
ixpk= 1771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 454,1589,
igr2=1100,1101, 713, 714,
&end
#
# 0 AMB 20-2:1773 0 AMB 20-1:1773 4.50 (# 1773:20 Double Ambig)
&rst
ixpk= 1773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1107,1338,
igr2=1100,1101,1100,1101,
&end
#
# 0 AMB 20-2:1774 0 AMB 20-1:1774 4.50 (# 1774:20 Double Ambig)
&rst
ixpk= 1774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 452,1063,
igr2=1100,1101,1050,1051,
&end
#
# 0 AMB 20-2:1782 0 AMB 20-1:1782 5.50 (# 1782:20 Double Ambig)
&rst
ixpk= 1782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1499,1548,
igr2=1491,1492,1491,1492,
&end
#
# 0 AMB 20-2:1789 0 AMB 20-1:1789 5.50 (# 1789:20 Double Ambig)
&rst
ixpk= 1789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 965,1025,1026,
igr2=1006,1007,1006,1007,
&end
#
# 0 AMB 20-2:1791 0 AMB 20-1:1791 3.50 (# 1791:20 Double Ambig)
&rst
ixpk= 1791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1010,1019,1002,
igr2=1006,1007,1006,1007,
&end
#
# 0 AMB 20-2:1793 3 ILE HB 4.50 (# 1793:20 Single Ambig)
&rst
ixpk= 1793, nxpk= 20, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 50, 807,
&end
#
# 0 AMB 20-2:1798 52 ILE HB 2.80 (# 1798:20 Single Ambig)
&rst
ixpk= 1798, nxpk= 20, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 41, 42, 778, 779, 780, 785, 786, 787,
&end
#
# 0 AMB 20-2:1802 52 ILE HB 3.50 (# 1802:20 Single Ambig)
&rst
ixpk= 1802, nxpk= 20, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 772, 50,
&end
#
# 0 AMB 20-2:1811 35 ILE HB 3.50 (# 1811:20 Single Ambig)
&rst
ixpk= 1811, nxpk= 20, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1097,1098, 489, 490,
&end
#
# 0 AMB 20-2:1815 39 LEU HB- 3.50 (# 1815:20 Single Ambig)
&rst
ixpk= 1815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 778, 779, 780, 785, 786, 787,
igr2= 565, 566,
&end
#
# 0 AMB 20-2:1816 39 LEU HB- 2.80 (# 1816:20 Single Ambig)
&rst
ixpk= 1816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
575, 576,
igr2= 565, 566,
&end
#
# 0 AMB 20-2:1822 0 AMB 20-1:1822 3.50 (# 1822:20 Double Ambig)
&rst
ixpk= 1822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 318, 809,
igr2= 320, 321, 320, 321,
&end
#
# 0 AMB 20-2:1824 0 AMB 20-1:1824 4.50 (# 1824:20 Double Ambig)
&rst
ixpk= 1824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 814, 815, 291, 292,
igr2= 320, 321, 320, 321,
&end
#
# 0 AMB 20-2:1826 0 AMB 20-1:1826 3.50 (# 1826:20 Double Ambig)
&rst
ixpk= 1826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 570, 571, 572, 574, 575, 576, 296, 297, 298, 300,
301, 302,
igr2= 320, 321, 320, 321,
&end
#
# 0 AMB 20-2:1831 56 ASP HB- 5.50 (# 1831:20 Single Ambig)
&rst
ixpk= 1831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 831, 100,
igr2= 852, 853,
&end
#
# 0 AMB 20-2:1832 0 AMB 20-1:1832 5.50 (# 1832:20 Double Ambig)
&rst
ixpk= 1832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 831, 100,
igr2= 852, 853, 852, 853,
&end
#
# 0 AMB 20-2:1836 56 ASP HB- 4.50 (# 1836:20 Single Ambig)
&rst
ixpk= 1836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 912, 913, 361,
igr2= 852, 853,
&end
#
# 0 AMB 20-2:1842 72 ILE HB 4.50 (# 1842:20 Single Ambig)
&rst
ixpk= 1842, nxpk= 20, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1107,1074,
&end
#
# 0 AMB 20-2:1851 96 LEU HB- 3.50 (# 1851:20 Single Ambig)
&rst
ixpk= 1851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1455,1369,1370,
igr2=1452,1453,
&end
#
# 0 AMB 20-2:1853 96 LEU HB- 3.50 (# 1853:20 Single Ambig)
&rst
ixpk= 1853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 551, 552, 553, 555, 556, 557,1130,1131,1132,1134,
1135,1136, 515, 516, 517,
igr2=1452,1453,
&end
#
# 0 AMB 20-2:1854 96 LEU HB- 3.50 (# 1854:20 Single Ambig)
&rst
ixpk= 1854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
1462,1463,
igr2=1452,1453,
&end
#
# 0 AMB 20-2:1858 0 AMB 20-1:1858 3.50 (# 1858:20 Double Ambig)
&rst
ixpk= 1858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 811, 812, 35, 73, 74,
igr2= 820, 821, 820, 821, 820, 821,
&end
#
# 0 AMB 20-2:1859 0 AMB 20-1:1859 3.50 (# 1859:20 Double Ambig)
&rst
ixpk= 1859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 811, 812, 568, 776, 76, 77,
igr2= 820, 821, 820, 821, 820, 821, 820, 821,
&end
#
# 0 AMB 20-2:1861 0 AMB 20-1:1861 3.50 (# 1861:20 Double Ambig)
&rst
ixpk= 1861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 817, 818, 565, 566,
igr2= 820, 821, 820, 821,
&end
#
# 0 AMB 20-2:1863 0 AMB 20-1:1863 3.50 (# 1863:20 Double Ambig)
&rst
ixpk= 1863, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
575, 576, 37, 38, 39,
igr2= 820, 821, 820, 821, 820, 821,
&end
#
# 0 AMB 20-2:1874 0 AMB 20-1:1874 4.50 (# 1874:20 Double Ambig)
&rst
ixpk= 1874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 895, 896, 864,
igr2= 880, 881, 880, 881, 907, 908,
&end
#
# 57 VAL MGY 0 AMB 20-1:1876 5.50 (# 1876:20 Single Ambig)
&rst
ixpk= 1876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 866, 867, 868, 870, 871, 872,
igr2= 880, 881, 907, 908,
&end
#
# 55 ILE QG2 0 AMB 20-1:1880 5.50 (# 1880:20 Single Ambig)
&rst
ixpk= 1880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 835, 836, 837,
igr2= 320, 321, 907, 908,
&end
#
# 0 AMB 20-2:1882 23 ASP HB- 4.50 (# 1882:20 Single Ambig)
&rst
ixpk= 1882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
575, 576,
igr2= 320, 321,
&end
#
# 0 AMB 20-2:1884 0 AMB 20-1:1884 4.50 (# 1884:20 Double Ambig)
&rst
ixpk= 1884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 814, 815, 866, 867, 868, 870, 871, 872, 291, 292,
igr2= 320, 321, 907, 908,
&end
#
# 0 AMB 20-2:1886 23 ASP HB- 3.50 (# 1886:20 Single Ambig)
&rst
ixpk= 1886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 318, 809,
igr2= 320, 321,
&end
#
# 0 AMB 20-2:1894 0 AMB 20-1:1894 5.50 (# 1894:20 Double Ambig)
&rst
ixpk= 1894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1235, 731,
igr2=1220,1221, 701, 702,
&end
#
# 0 AMB 20-2:1920 0 AMB 20-1:1920 4.50 (# 1920:20 Double Ambig)
&rst
ixpk= 1920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 938, 939, 54,
igr2= 993, 994, 763, 764,
&end
#
# 0 AMB 20-2:1921 0 AMB 20-1:1921 4.50 (# 1921:20 Double Ambig)
&rst
ixpk= 1921, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 114, 448,
igr2= 993, 994, 476, 477,
&end
#
# 0 AMB 20-2:1924 0 AMB 20-1:1924 4.50 (# 1924:20 Double Ambig)
&rst
ixpk= 1924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1367, 195,
igr2=1378,1379, 763, 764,
&end
#
# 0 AMB 20-2:1925 0 AMB 20-1:1925 4.50 (# 1925:20 Double Ambig)
&rst
ixpk= 1925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1347, 982,
igr2=1378,1379, 993, 994,
&end
#
# 0 AMB 20-2:1926 0 AMB 20-1:1926 4.50 (# 1926:20 Double Ambig)
&rst
ixpk= 1926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 953, 439, 440,
igr2= 993, 994, 476, 477,
&end
#
# 0 AMB 20-2:1928 0 AMB 20-1:1928 3.50 (# 1928:20 Double Ambig)
&rst
ixpk= 1928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 277, 278, 279, 281, 282, 283, 987, 988,
igr2= 763, 764, 993, 994,
&end
#
# 4 VAL MGY 0 AMB 20-1:1930 3.50 (# 1930:20 Single Ambig)
&rst
ixpk= 1930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 56, 57, 58, 60, 61, 62,
igr2= 79, 80, 763, 764,
&end
#
# 0 AMB 20-2:1931 0 AMB 20-1:1931 2.80 (# 1931:20 Double Ambig)
&rst
ixpk= 1931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1552,1553, 760, 761,
igr2=1561,1562, 763, 764,
&end
#
# 0 AMB 20-2:1932 0 AMB 20-1:1932 3.50 (# 1932:20 Double Ambig)
&rst
ixpk= 1932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 757, 758,1555,1556, 814, 815,
igr2= 763, 764,1561,1562, 79, 80,
&end
#
# 0 AMB 20-2:1933 0 AMB 20-1:1933 3.50 (# 1933:20 Double Ambig)
&rst
ixpk= 1933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1552,1553, 757, 758,
igr2=1561,1562, 763, 764,
&end
#
# 0 AMB 20-2:1934 0 AMB 20-1:1934 5.50 (# 1934:20 Double Ambig)
&rst
ixpk= 1934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 709, 463,
igr2= 722, 723, 476, 477,
&end
#
# 0 AMB 20-2:1937 0 AMB 20-1:1937 4.50 (# 1937:20 Double Ambig)
&rst
ixpk= 1937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 392, 711,
igr2= 476, 477, 722, 723,
&end
#
# 0 AMB 20-2:1939 0 AMB 20-1:1939 4.50 (# 1939:20 Double Ambig)
&rst
ixpk= 1939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 389, 390, 684, 685, 686,
igr2= 476, 477, 722, 723,
&end
#
# 0 AMB 20-2:1941 0 AMB 20-1:1941 2.80 (# 1941:20 Double Ambig)
&rst
ixpk= 1941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 713, 714, 473, 474, 811, 812, 76, 77,
igr2= 722, 723, 476, 477, 79, 80,
&end
#
# 0 AMB 20-2:1942 0 AMB 20-1:1942 3.50 (# 1942:20 Double Ambig)
&rst
ixpk= 1942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 470, 471, 473, 474, 716, 717,
igr2= 476, 477, 476, 477, 722, 723,
&end
#
# 0 AMB 20-2:1943 0 AMB 20-1:1943 3.50 (# 1943:20 Double Ambig)
&rst
ixpk= 1943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
1601,1602,
igr2= 722, 723, 722, 723,
&end
#
# 0 AMB 20-2:1957 43 ASP HB- 5.50 (# 1957:20 Single Ambig)
&rst
ixpk= 1957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 587, 588, 645, 646,
igr2= 633, 634,
&end
#
# 0 AMB 20-2:1958 0 AMB 20-1:1958 5.50 (# 1958:20 Double Ambig)
&rst
ixpk= 1958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 645, 646, 599, 600,
igr2= 633, 634, 633, 634,
&end
#
# 0 AMB 20-2:1963 43 ASP HB- 3.50 (# 1963:20 Single Ambig)
&rst
ixpk= 1963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 785, 786, 787, 41, 42,
igr2= 633, 634,
&end
#
# 0 AMB 20-2:1964 0 AMB 20-1:1964 3.50 (# 1964:20 Double Ambig)
&rst
ixpk= 1964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 785, 786, 787, 41, 42,
igr2= 633, 634, 633, 634,
&end
#
# 0 AMB 20-2:1983 0 AMB 20-1:1983 4.50 (# 1983:20 Double Ambig)
&rst
ixpk= 1983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
igr1= 261, 262, 263, 265, 266, 267,1508,1509,1510,1512,
1513,1514, 740, 741, 742, 744, 745, 746,
igr2=1574,1575,1574,1575,1574,1575,
&end
#
# 0 AMB 20-2:1992 89 GLY HA- 4.50 (# 1992:20 Single Ambig)
&rst
ixpk= 1992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1328,1329,1330,1332,1333,1334, 515, 516, 517,
igr2=1340,1341,
&end
#
# 0 AMB 20-2:1994 89 GLY HA- 5.50 (# 1994:20 Single Ambig)
&rst
ixpk= 1994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1100,1101,1326,
igr2=1340,1341,
&end
#
# 0 AMB 20-2:2001 81 GLY HA- 3.50 (# 2001:20 Single Ambig)
&rst
ixpk= 2001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 224, 226, 227,
igr2=1230,1231,
&end
#
# 0 AMB 20-2:2003 81 GLY HA- 5.50 (# 2003:20 Single Ambig)
&rst
ixpk= 2003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1179,1180,1182,
igr2=1230,1231,
&end
#
# 0 AMB 20-2:2008 0 AMB 20-1:2008 4.50 (# 2008:20 Double Ambig)
&rst
ixpk= 2008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1002,1010,1019,
igr2= 975, 976, 975, 976,
&end
#
# 0 AMB 20-2:2020 47 GLY HA- 5.50 (# 2020:20 Single Ambig)
&rst
ixpk= 2020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 752, 675,
igr2= 692, 693,
&end
#
# 0 AMB 20-2:2021 0 AMB 20-1:2021 5.50 (# 2021:20 Double Ambig)
&rst
ixpk= 2021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 752, 675,
igr2= 692, 693, 692, 693,
&end
#
# 0 AMB 20-2:2025 47 GLY HA- 5.50 (# 2025:20 Single Ambig)
&rst
ixpk= 2025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 633, 634, 701, 702,
igr2= 692, 693,
&end
#
# 0 AMB 20-2:2026 47 GLY HA- 5.50 (# 2026:20 Single Ambig)
&rst
ixpk= 2026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 740, 741, 742, 744, 745, 746, 740, 741, 742, 744,
745, 746,
igr2= 692, 693,
&end
#
# 0 AMB 20-2:2027 0 AMB 20-1:2027 5.50 (# 2027:20 Double Ambig)
&rst
ixpk= 2027, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 740, 741, 742, 744, 745, 746, 740, 741, 742, 744,
745, 746,
igr2= 692, 693, 692, 693,
&end
#
# 0 AMB 20-2:2032 30 GLY HA- 4.50 (# 2032:20 Single Ambig)
&rst
ixpk= 2032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 467, 468, 442, 443,
igr2= 433, 434,
&end
#
# 0 AMB 20-2:2033 30 GLY HA- 5.50 (# 2033:20 Single Ambig)
&rst
ixpk= 2033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 470, 471, 473, 474,
igr2= 433, 434,
&end
#
# 0 AMB 20-2:2035 0 AMB 20-1:2035 4.50 (# 2035:20 Double Ambig)
&rst
ixpk= 2035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 467, 468, 442, 443,
igr2= 433, 434, 433, 434,
&end
#
# 0 AMB 20-2:2061 91 LYS HA 5.50 (# 2061:20 Single Ambig)
&rst
ixpk= 2061, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 515, 516, 517,1130,1131,1132,1134,1135,1136, 551,
552, 553, 555, 556, 557,
&end
#
# 0 AMB 20-2:2062 91 LYS HA 3.50 (# 2062:20 Single Ambig)
&rst
ixpk= 2062, nxpk= 20, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1369,1370,1442,1443,1444,
&end
#
# 0 AMB 20-2:2064 95 ALA HA 5.50 (# 2064:20 Single Ambig)
&rst
ixpk= 2064, nxpk= 20, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1391,1392,1503,1504,
&end
#
# 0 AMB 20-2:2066 95 ALA HA 4.50 (# 2066:20 Single Ambig)
&rst
ixpk= 2066, nxpk= 20, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1491,1492,1474,1475,
&end
#
# 0 AMB 20-2:2067 95 ALA HA 4.50 (# 2067:20 Single Ambig)
&rst
ixpk= 2067, nxpk= 20, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1491,1492,1394,1395,
&end
#
# 0 AMB 20-2:2068 95 ALA HA 5.50 (# 2068:20 Single Ambig)
&rst
ixpk= 2068, nxpk= 20, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1388,1389,1403,
&end
#
# 0 AMB 20-2:2069 95 ALA HA 4.50 (# 2069:20 Single Ambig)
&rst
ixpk= 2069, nxpk= 20, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1450,1486,
&end
#
# 0 AMB 20-2:2075 59 GLU HA 2.80 (# 2075:20 Single Ambig)
&rst
ixpk= 2075, nxpk= 20, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 895, 896, 892, 893,
&end
#
# 0 AMB 20-2:2078 59 GLU HA 5.50 (# 2078:20 Single Ambig)
&rst
ixpk= 2078, nxpk= 20, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 880, 881, 907, 908,
&end
#
# 0 AMB 20-2:2095 101 ASN HA 4.50 (# 2095:20 Single Ambig)
&rst
ixpk= 2095, nxpk= 20, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1550,1486,
&end
#
# 0 AMB 20-2:2098 101 ASN HA 4.50 (# 2098:20 Single Ambig)
&rst
ixpk= 2098, nxpk= 20, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 684, 685, 686,1522,
&end
#
# 0 AMB 20-2:2101 101 ASN HA 3.50 (# 2101:20 Single Ambig)
&rst
ixpk= 2101, nxpk= 20, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
1601,1602,
&end
#
# 0 AMB 20-2:2103 104 LEU HA 2.80 (# 2103:20 Single Ambig)
&rst
ixpk= 2103, nxpk= 20, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
1601,1602,
&end
#
# 0 AMB 20-2:2111 49 LYS HA 5.50 (# 2111:20 Single Ambig)
&rst
ixpk= 2111, nxpk= 20, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
1601,1602,
&end
#
# 0 AMB 20-2:2117 0 AMB 20-1:2117 2.80 (# 2117:20 Double Ambig)
&rst
ixpk= 2117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 489, 490, 197, 198,
igr2= 487, 195,
&end
#
# 0 AMB 20-2:2119 0 AMB 20-1:2119 5.50 (# 2119:20 Double Ambig)
&rst
ixpk= 2119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.13, r4=10.63,
igr1= 551, 552, 553, 555, 556, 557,1201,1202, 92, 93,
94,1198,1199,
igr2= 487,1589, 195,
&end
#
# 0 AMB 20-2:2120 43 ASP HA 3.50 (# 2120:20 Single Ambig)
&rst
ixpk= 2120, nxpk= 20, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 785, 786, 787, 740, 741, 742, 744, 745, 746, 740,
741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:2121 0 AMB 20-1:2121 4.50 (# 2121:20 Double Ambig)
&rst
ixpk= 2121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1= 44, 45, 46, 277, 278, 279, 281, 282, 283, 619,
620, 621, 623, 624, 625, 619, 620, 621, 623, 624,
625,
igr2= 631, 195,
&end
#
# 0 AMB 20-2:2124 0 AMB 20-1:2124 5.50 (# 2124:20 Double Ambig)
&rst
ixpk= 2124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 463, 709,
igr2= 487, 631,
&end
#
# 0 AMB 20-2:2127 43 ASP HA 4.50 (# 2127:20 Single Ambig)
&rst
ixpk= 2127, nxpk= 20, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 673, 697,
&end
#
# 0 AMB 20-2:2135 8 ASP HA 5.50 (# 2135:20 Single Ambig)
&rst
ixpk= 2135, nxpk= 20, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 92, 93, 94, 104, 105, 106, 833,
&end
#
# 0 AMB 20-2:2139 67 TYR HA 4.50 (# 2139:20 Single Ambig)
&rst
ixpk= 2139, nxpk= 20, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1025,1026, 965,
&end
#
# 0 AMB 20-2:2143 67 TYR HA 3.50 (# 2143:20 Single Ambig)
&rst
ixpk= 2143, nxpk= 20, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1010,1019,1002,
&end
#
# 0 AMB 20-2:2153 0 AMB 20-1:2153 2.80 (# 2153:20 Double Ambig)
&rst
ixpk= 2153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1401, 50,
igr2=1397, 52,
&end
#
# 0 AMB 20-2:2154 92 PRO HA 4.50 (# 2154:20 Single Ambig)
&rst
ixpk= 2154, nxpk= 20, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1388,1389,1403,
&end
#
# 0 AMB 20-2:2159 0 AMB 20-1:2159 3.50 (# 2159:20 Double Ambig)
&rst
ixpk= 2159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 551, 552, 553, 555, 556, 557, 73, 74,
igr2=1397, 52,
&end
#
# 0 AMB 20-2:2163 0 AMB 20-1:2163 3.50 (# 2163:20 Double Ambig)
&rst
ixpk= 2163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 275,1391,1392,
igr2= 210,1397,
&end
#
# 0 AMB 20-2:2164 0 AMB 20-1:2164 4.50 (# 2164:20 Double Ambig)
&rst
ixpk= 2164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1179,1180, 73, 74, 35, 811, 812,
igr2= 210, 52,
&end
#
# 0 AMB 20-2:2165 0 AMB 20-1:2165 4.50 (# 2165:20 Double Ambig)
&rst
ixpk= 2165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1369,1370,1455,1442,1443,1444, 757, 758, 25, 26,
27, 795,
igr2=1397, 52, 210,
&end
#
# 53 VAL MGY 0 AMB 20-1:2168 4.50 (# 2168:20 Single Ambig)
&rst
ixpk= 2168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 797, 798, 799, 801, 802, 803,
igr2= 210, 52,
&end
#
# 0 AMB 20-2:2181 0 AMB 20-1:2181 2.80 (# 2181:20 Double Ambig)
&rst
ixpk= 2181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1272,1273,1274,1276,1277,1278, 56, 57, 58, 60,
61, 62,
igr2=1268, 33,
&end
#
# 0 AMB 20-2:2188 35 ILE HA 5.50 (# 2188:20 Single Ambig)
&rst
ixpk= 2188, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 547, 456,
&end
#
# 0 AMB 20-2:2189 35 ILE HA 5.50 (# 2189:20 Single Ambig)
&rst
ixpk= 2189, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 523,1347,
&end
#
# 0 AMB 20-2:2196 35 ILE HA 4.50 (# 2196:20 Single Ambig)
&rst
ixpk= 2196, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
575, 576,
&end
#
# 0 AMB 20-2:2197 35 ILE HA 3.50 (# 2197:20 Single Ambig)
&rst
ixpk= 2197, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 515, 516, 517, 551, 552, 553, 555, 556, 557,
&end
#
# 0 AMB 20-2:2203 27 PRO HA 4.50 (# 2203:20 Single Ambig)
&rst
ixpk= 2203, nxpk= 20, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 363, 372,
&end
#
# 0 AMB 20-2:2208 37 PRO HA 4.50 (# 2208:20 Single Ambig)
&rst
ixpk= 2208, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 595, 561,
&end
#
# 0 AMB 20-2:2209 37 PRO HA 3.50 (# 2209:20 Single Ambig)
&rst
ixpk= 2209, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 532, 533, 523,
&end
#
# 0 AMB 20-2:2211 37 PRO HA 2.80 (# 2211:20 Single Ambig)
&rst
ixpk= 2211, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 538, 539, 587, 588,
&end
#
# 0 AMB 20-2:2221 0 AMB 20-1:2221 5.50 (# 2221:20 Double Ambig)
&rst
ixpk= 2221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 183, 193,
igr2= 145, 146, 145, 146,
&end
#
# 0 AMB 20-2:2250 32 CYS HA 5.50 (# 2250:20 Single Ambig)
&rst
ixpk= 2250, nxpk= 20, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 512, 513, 473, 474, 470, 471,
&end
#
# 0 AMB 20-2:2252 32 CYS HA 4.50 (# 2252:20 Single Ambig)
&rst
ixpk= 2252, nxpk= 20, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 515, 516, 517,1130,1131,1132,1134,1135,1136,
&end
#
# 0 AMB 20-2:2260 3 ILE HA 2.80 (# 2260:20 Single Ambig)
&rst
ixpk= 2260, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 50, 772,
&end
#
# 0 AMB 20-2:2271 58 ASP HA 5.50 (# 2271:20 Single Ambig)
&rst
ixpk= 2271, nxpk= 20, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 864, 895, 896,
&end
#
# 0 AMB 20-2:2275 0 AMB 20-1:2275 4.50 (# 2275:20 Double Ambig)
&rst
ixpk= 2275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 187, 188, 189, 716, 717,
igr2= 195,1589,
&end
#
# 0 AMB 20-2:2291 82 GLU HA 4.50 (# 2291:20 Single Ambig)
&rst
ixpk= 2291, nxpk= 20, iat= -1,1237, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1252, 224,
&end
#
# 0 AMB 20-2:2317 0 AMB 20-1:2317 4.50 (# 2317:20 Double Ambig)
&rst
ixpk= 2317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1286,1287,1552,1553,
igr2=1284,1572,
&end
#
# 0 AMB 20-2:2320 50 LEU HA 3.50 (# 2320:20 Single Ambig)
&rst
ixpk= 2320, nxpk= 20, iat= -1, 733, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 261, 262, 263, 265, 266, 267, 740, 741, 742, 744,
745, 746,
&end
#
# 0 AMB 20-2:2326 36 ALA MB 3.50 (# 2326:20 Single Ambig)
&rst
ixpk= 2326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 820, 821, 535, 536, 584, 585,
igr2= 525, 526, 527,
&end
#
# 0 AMB 20-2:2327 36 ALA MB 4.50 (# 2327:20 Single Ambig)
&rst
ixpk= 2327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 587, 588, 538, 539,
igr2= 525, 526, 527,
&end
#
# 0 AMB 20-2:2329 36 ALA MB 2.80 (# 2329:20 Single Ambig)
&rst
ixpk= 2329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 532, 533, 523,
igr2= 525, 526, 527,
&end
#
# 0 AMB 20-2:2331 36 ALA MB 4.50 (# 2331:20 Single Ambig)
&rst
ixpk= 2331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 541, 504, 392,
igr2= 525, 526, 527,
&end
#
# 0 AMB 20-2:2333 36 ALA MB 4.50 (# 2333:20 Single Ambig)
&rst
ixpk= 2333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 365, 545,
igr2= 525, 526, 527,
&end
#
# 0 AMB 20-2:2343 35 ILE QD1 4.50 (# 2343:20 Single Ambig)
&rst
ixpk= 2343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 454,1367,
igr2= 515, 516, 517,
&end
#
# 0 AMB 20-2:2359 35 ILE QG2 5.50 (# 2359:20 Single Ambig)
&rst
ixpk= 2359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1365,1123,
igr2= 508, 509, 510,
&end
#
# 0 AMB 20-2:2380 35 ILE QG2 4.50 (# 2380:20 Single Ambig)
&rst
ixpk= 2380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 565, 566, 817, 818, 551, 552, 553, 555, 556, 557,
igr2= 508, 509, 510,
&end
#
# 0 AMB 20-2:2381 35 ILE QG2 3.50 (# 2381:20 Single Ambig)
&rst
ixpk= 2381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
575, 576,
igr2= 508, 509, 510,
&end
#
# 0 AMB 20-2:2383 35 ILE QG2 3.50 (# 2383:20 Single Ambig)
&rst
ixpk= 2383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1097,1098, 568,
igr2= 508, 509, 510,
&end
#
# 0 AMB 20-2:2387 13 ALA MB 2.80 (# 2387:20 Single Ambig)
&rst
ixpk= 2387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 183, 193,
igr2= 187, 188, 189,
&end
#
# 0 AMB 20-2:2405 0 AMB 20-1:2405 5.50 (# 2405:20 Double Ambig)
&rst
ixpk= 2405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1046, 152,
igr2= 967, 968, 969, 187, 188, 189,
&end
#
# 0 AMB 20-2:2421 95 ALA MB 4.50 (# 2421:20 Single Ambig)
&rst
ixpk= 2421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1394,1395,1430,1431,
igr2=1442,1443,1444,
&end
#
# 0 AMB 20-2:2423 95 ALA MB 4.50 (# 2423:20 Single Ambig)
&rst
ixpk= 2423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1394,1395,1491,1492,
igr2=1442,1443,1444,
&end
#
# 0 AMB 20-2:2433 46 MET ME 4.50 (# 2433:20 Single Ambig)
&rst
ixpk= 2433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1543,1544,1479,1480,
igr2= 684, 685, 686,
&end
#
# 0 AMB 20-2:2437 6 ALA MB 5.50 (# 2437:20 Single Ambig)
&rst
ixpk= 2437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 193, 183,
igr2= 92, 93, 94,
&end
#
# 0 AMB 20-2:2439 6 ALA MB 4.50 (# 2439:20 Single Ambig)
&rst
ixpk= 2439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 152, 66,
igr2= 92, 93, 94,
&end
#
# 0 AMB 20-2:2451 6 ALA MB 4.50 (# 2451:20 Single Ambig)
&rst
ixpk= 2451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 214, 215, 216, 835, 836, 837,
igr2= 92, 93, 94,
&end
#
# 0 AMB 20-2:2458 0 AMB 20-1:2458 4.50 (# 2458:20 Double Ambig)
&rst
ixpk= 2458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 965,1520,
igr2= 866, 867, 868, 870, 871, 872,1555,1556,
&end
#
# 0 AMB 20-2:2459 0 AMB 20-1:2459 2.80 (# 2459:20 Double Ambig)
&rst
ixpk= 2459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 862,1550,1501,
igr2= 866, 867, 868, 870, 871, 872,1555,1556,
&end
#
# 0 AMB 20-2:2477 83 VAL MGY 2.80 (# 2477:20 Single Ambig)
&rst
ixpk= 2477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1184,1185,1186,1188,1189,1190,1147,
igr2=1256,1257,1258,1260,1261,1262,
&end
#
# 0 AMB 20-2:2479 96 LEU MDY 5.50 (# 2479:20 Single Ambig)
&rst
ixpk= 2479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1403,1315,1316,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 0 AMB 20-2:2487 53 VAL MGY 2.80 (# 2487:20 Single Ambig)
&rst
ixpk= 2487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 807, 791,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 0 AMB 20-2:2490 53 VAL MGY 4.50 (# 2490:20 Single Ambig)
&rst
ixpk= 2490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 90, 831,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 0 AMB 20-2:2491 53 VAL MGY 4.50 (# 2491:20 Single Ambig)
&rst
ixpk= 2491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 210, 52,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 0 AMB 20-2:2494 53 VAL MGY 2.80 (# 2494:20 Single Ambig)
&rst
ixpk= 2494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 835, 836, 837, 214, 215, 216,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 0 AMB 20-2:2498 53 VAL MGY 3.50 (# 2498:20 Single Ambig)
&rst
ixpk= 2498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 197, 198, 754, 755,
igr2= 797, 798, 799, 801, 802, 803,
&end
#
# 0 AMB 20-2:2503 0 AMB 20-1:2503 2.80 (# 2503:20 Double Ambig)
&rst
ixpk= 2503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1034,1163,1503,1504,
igr2=1036,1037,1038,1040,1041,1042,1165,1166,1167,1169,
1170,1171,
&end
#
# 0 AMB 20-2:2504 0 AMB 20-1:2504 3.50 (# 2504:20 Double Ambig)
&rst
ixpk= 2504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 965,1520,1025,1026,
igr2=1036,1037,1038,1040,1041,1042,1165,1166,1167,1169,
1170,1171,
&end
#
# 0 AMB 20-2:2507 77 VAL MGY 4.50 (# 2507:20 Single Ambig)
&rst
ixpk= 2507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1282,1518,
igr2=1165,1166,1167,1169,1170,1171,
&end
#
# 0 AMB 20-2:2542 63 THR MG2 4.50 (# 2542:20 Single Ambig)
&rst
ixpk= 2542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 963, 141,
igr2= 955, 956, 957,
&end
#
# 0 AMB 20-2:2543 63 THR MG2 5.50 (# 2543:20 Single Ambig)
&rst
ixpk= 2543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 980, 98,
igr2= 955, 956, 957,
&end
#
# 0 AMB 20-2:2556 20 VAL MGX 2.80 (# 2556:20 Single Ambig)
&rst
ixpk= 2556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 754, 755, 275,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 0 AMB 20-2:2558 0 AMB 20-1:2558 2.80 (# 2558:20 Double Ambig)
&rst
ixpk= 2558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 866, 867, 868, 870, 871, 872, 310, 311, 312, 291,
292,
igr2=1036,1037,1038,1040,1041,1042, 277, 278, 279, 281,
282, 283,1165,1166,1167,1169,1170,1171,
&end
#
# 22 ALA HN 0 AMB 20-1:2562 4.50 (# 2562:20 Single Ambig)
&rst
ixpk= 2562, nxpk= 20, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 277, 278, 279, 281, 282, 283,1165,1166,1167,1169,
1170,1171,
&end
#
# 0 AMB 20-2:2569 86 THR MG2 5.50 (# 2569:20 Single Ambig)
&rst
ixpk= 2569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1125,1126,1128,
igr2=1303,1304,1305,
&end
#
# 0 AMB 20-2:2570 86 THR MG2 4.50 (# 2570:20 Single Ambig)
&rst
ixpk= 2570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=1036,1037,1038,1040,1041,1042,1147,
igr2=1303,1304,1305,
&end
#
# 0 AMB 20-2:2573 4 VAL MGX 5.50 (# 2573:20 Single Ambig)
&rst
ixpk= 2573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 79, 80, 763, 764,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 23 ASP HB- 0 AMB 20-1:2586 4.50 (# 2586:20 Single Ambig)
&rst
ixpk= 2586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 320, 321,
igr2= 570, 571, 572, 574, 575, 576, 296, 297, 298, 300,
301, 302,
&end
#
# 0 AMB 20-2:2588 0 AMB 20-1:2588 5.50 (# 2588:20 Double Ambig)
&rst
ixpk= 2588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 318, 774, 809,
igr2= 296, 297, 298, 300, 301, 302, 570, 571, 572, 574,
575, 576,
&end
#
# 0 AMB 20-2:2592 0 AMB 20-1:2592 3.50 (# 2592:20 Double Ambig)
&rst
ixpk= 2592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 820, 821, 320, 321, 320, 321,
igr2= 570, 571, 572, 574, 575, 576, 296, 297, 298, 300,
301, 302,
&end
#
# 0 AMB 20-2:2593 0 AMB 20-1:2593 2.80 (# 2593:20 Double Ambig)
&rst
ixpk= 2593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 568,1452,1453,1128, 776,
igr2= 570, 571, 572, 574, 575, 576, 296, 297, 298, 300,
301, 302,
&end
#
# 76 LEU HN 0 AMB 20-1:2595 4.50 (# 2595:20 Single Ambig)
&rst
ixpk= 2595, nxpk= 20, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr2= 296, 297, 298, 300, 301, 302,1147,1184,1185,1186,
1188,1189,1190,
&end
#
# 67 TYR HD 0 AMB 20-1:2596 4.50 (# 2596:20 Single Ambig)
&rst
ixpk= 2596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1010,1019,
igr2=1147,1184,1185,1186,1188,1189,1190,
&end
#
# 67 TYR HE 0 AMB 20-1:2597 3.50 (# 2597:20 Single Ambig)
&rst
ixpk= 2597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1012,1017,
igr2=1184,1185,1186,1188,1189,1190,1147,
&end
#
# 0 AMB 20-2:2599 0 AMB 20-1:2599 2.80 (# 2599:20 Double Ambig)
&rst
ixpk= 2599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1144,1145, 782, 783,
igr2=1184,1185,1186,1188,1189,1190,1147, 296, 297, 298,
300, 301, 302,
&end
#
# 0 AMB 20-2:2603 0 AMB 20-1:2603 2.80 (# 2603:20 Double Ambig)
&rst
ixpk= 2603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1256,1257,1258,1260,1261,1262, 310, 311, 312,
igr2=1184,1185,1186,1188,1189,1190,1147,
&end
#
# 0 AMB 20-2:2604 78 LEU MDX 2.80 (# 2604:20 Single Ambig)
&rst
ixpk= 2604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1256,1257,1258,1260,1261,1262, 310, 311, 312,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2605 78 LEU MDY 2.80 (# 2605:20 Single Ambig)
&rst
ixpk= 2605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1179,1180,1182,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2612 78 LEU MDX 4.50 (# 2612:20 Single Ambig)
&rst
ixpk= 2612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 289,1142, 308,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2617 0 AMB 20-1:2617 4.50 (# 2617:20 Double Ambig)
&rst
ixpk= 2617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1235,1282,
igr2=1184,1185,1186,1188,1189,1190,1147,
&end
#
# 0 AMB 20-2:2619 78 LEU MDX 4.50 (# 2619:20 Single Ambig)
&rst
ixpk= 2619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1194, 287,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2620 78 LEU MDX 4.50 (# 2620:20 Single Ambig)
&rst
ixpk= 2620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1140, 271,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 20-2:2621 78 LEU MDY 4.50 (# 2621:20 Single Ambig)
&rst
ixpk= 2621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1194, 287,
igr2=1184,1185,1186,1188,1189,1190,
&end
#
# 75 LEU HA 0 AMB 20-1:2627 5.50 (# 2627:20 Single Ambig)
&rst
ixpk= 2627, nxpk= 20, iat=1123, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 296, 297, 298, 300, 301, 302,1149,1150,1151,1153,
1154,1155,
&end
#
# 0 AMB 20-2:2628 0 AMB 20-1:2628 3.50 (# 2628:20 Double Ambig)
&rst
ixpk= 2628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1142, 289,
igr2=1149,1150,1151,1153,1154,1155, 296, 297, 298, 300,
301, 302,
&end
#
# 0 AMB 20-2:2629 21 LEU MDX 5.50 (# 2629:20 Single Ambig)
&rst
ixpk= 2629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 318, 774,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:2631 0 AMB 20-1:2631 3.50 (# 2631:20 Double Ambig)
&rst
ixpk= 2631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 993, 994,1414,1415,
igr2= 987, 988, 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 20-2:2632 0 AMB 20-1:2632 2.80 (# 2632:20 Double Ambig)
&rst
ixpk= 2632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1125,1126, 984, 985, 782, 783,
igr2= 296, 297, 298, 300, 301, 302, 987, 988,
&end
#
# 0 AMB 20-2:2633 21 LEU MDX 2.80 (# 2633:20 Single Ambig)
&rst
ixpk= 2633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1125,1126, 294,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:2635 0 AMB 20-1:2635 2.80 (# 2635:20 Double Ambig)
&rst
ixpk= 2635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1455,1144,1145, 990, 991,
igr2= 619, 620, 621, 623, 624, 625,1149,1150,1151,1153,
1154,1155, 987, 988,
&end
#
# 0 AMB 20-2:2636 21 LEU MDX 5.50 (# 2636:20 Single Ambig)
&rst
ixpk= 2636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 287, 772,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 76 LEU HN 0 AMB 20-1:2637 4.50 (# 2637:20 Single Ambig)
&rst
ixpk= 2637, nxpk= 20, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1149,1150,1151,1153,1154,1155, 296, 297, 298, 300,
301, 302,
&end
#
# 78 LEU HN 0 AMB 20-1:2638 5.50 (# 2638:20 Single Ambig)
&rst
ixpk= 2638, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 296, 297, 298, 300, 301, 302,1149,1150,1151,1153,
1154,1155,
&end
#
# 0 AMB 20-2:2640 0 AMB 20-1:2640 5.50 (# 2640:20 Double Ambig)
&rst
ixpk= 2640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1159, 673,
igr2=1149,1150,1151,1153,1154,1155, 619, 620, 621, 623,
624, 625,
&end
#
# 0 AMB 20-2:2641 0 AMB 20-1:2641 5.50 (# 2641:20 Double Ambig)
&rst
ixpk= 2641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1518,1282,
igr2= 619, 620, 621, 623, 624, 625,1149,1150,1151,1153,
1154,1155, 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:2642 99 LEU MDY 4.50 (# 2642:20 Single Ambig)
&rst
ixpk= 2642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1499,1548,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 20-2:2643 0 AMB 20-1:2643 4.50 (# 2643:20 Double Ambig)
&rst
ixpk= 2643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1010,1019,1499,
igr2=1149,1150,1151,1153,1154,1155,1508,1509,1510,1512,
1513,1514,
&end
#
# 0 AMB 20-2:2645 99 LEU MDY 5.50 (# 2645:20 Single Ambig)
&rst
ixpk= 2645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1297,1467,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 20-2:2655 99 LEU MDY 3.50 (# 2655:20 Single Ambig)
&rst
ixpk= 2655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
1462,1463,
igr2=1508,1509,1510,1512,1513,1514,
&end
#
# 0 AMB 20-2:2658 0 AMB 20-1:2658 4.50 (# 2658:20 Double Ambig)
&rst
ixpk= 2658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1282,1518,
igr2=1149,1150,1151,1153,1154,1155,1508,1509,1510,1512,
1513,1514,
&end
#
# 0 AMB 20-2:2659 0 AMB 20-1:2659 5.50 (# 2659:20 Double Ambig)
&rst
ixpk= 2659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1311, 316,
igr2=1149,1150,1151,1153,1154,1155, 296, 297, 298, 300,
301, 302,
&end
#
# 0 AMB 20-2:2669 104 LEU MDY 3.50 (# 2669:20 Single Ambig)
&rst
ixpk= 2669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 259, 684, 685, 686,
igr2=1596,1597,1598,1600,1601,1602,
&end
#
# 0 AMB 20-2:2670 104 LEU MDY 2.80 (# 2670:20 Single Ambig)
&rst
ixpk= 2670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 713, 714,1594,
igr2=1596,1597,1598,1600,1601,1602,
&end
#
# 0 AMB 20-2:2678 50 LEU MDX 3.50 (# 2678:20 Single Ambig)
&rst
ixpk= 2678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 259,1522,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:2691 76 LEU MDY 4.50 (# 2691:20 Single Ambig)
&rst
ixpk= 2691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1125,1126, 984, 985,
igr2=1149,1150,1151,1153,1154,1155,
&end
#
# 0 AMB 20-2:2694 76 LEU MDY 2.80 (# 2694:20 Single Ambig)
&rst
ixpk= 2694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1036,1037,1038,1040,1041,1042,1147,1184,1185,1186,
1188,1189,1190,
igr2=1149,1150,1151,1153,1154,1155,
&end
#
# 0 AMB 20-2:2695 76 LEU MDY 2.80 (# 2695:20 Single Ambig)
&rst
ixpk= 2695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1303,1304,1305,1113,1114,1115,
igr2=1149,1150,1151,1153,1154,1155,
&end
#
# 0 AMB 20-2:2697 0 AMB 20-1:2697 4.50 (# 2697:20 Double Ambig)
&rst
ixpk= 2697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 772, 50, 791,
igr2= 757, 758, 757, 758, 757, 758,
&end
#
# 0 AMB 20-2:2699 0 AMB 20-1:2699 4.50 (# 2699:20 Double Ambig)
&rst
ixpk= 2699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 809,1103,
igr2= 814, 815,1084,1085,
&end
#
# 0 AMB 20-2:2700 0 AMB 20-1:2700 3.50 (# 2700:20 Double Ambig)
&rst
ixpk= 2700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 752,1065,
igr2= 757, 758,1084,1085,
&end
#
# 0 AMB 20-2:2708 0 AMB 20-1:2708 3.50 (# 2708:20 Double Ambig)
&rst
ixpk= 2708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 463, 709,
igr2= 470, 471, 716, 717,
&end
#
# 0 AMB 20-2:2709 0 AMB 20-1:2709 3.50 (# 2709:20 Double Ambig)
&rst
ixpk= 2709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 476, 477, 722, 723,
igr2= 470, 471, 716, 717,
&end
#
# 0 AMB 20-2:2711 0 AMB 20-1:2711 4.50 (# 2711:20 Double Ambig)
&rst
ixpk= 2711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
1601,1602,
igr2= 716, 717, 716, 717,
&end
#
# 0 AMB 20-2:2715 0 AMB 20-1:2715 2.80 (# 2715:20 Double Ambig)
&rst
ixpk= 2715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 70, 71,1204,1205,
igr2= 73, 74,1201,1202,
&end
#
# 0 AMB 20-2:2718 0 AMB 20-1:2718 3.50 (# 2718:20 Double Ambig)
&rst
ixpk= 2718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 612, 982,
igr2= 619, 620, 621, 623, 624, 625, 987, 988,
&end
#
# 0 AMB 20-2:2724 42 LEU MDX 5.50 (# 2724:20 Single Ambig)
&rst
ixpk= 2724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1479,1480, 580,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 20-2:2726 42 LEU MDX 4.50 (# 2726:20 Single Ambig)
&rst
ixpk= 2726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 680, 681, 665, 666,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 20-2:2733 42 LEU MDX 3.50 (# 2733:20 Single Ambig)
&rst
ixpk= 2733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1522, 662, 663,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 20-2:2734 42 LEU MDY 3.50 (# 2734:20 Single Ambig)
&rst
ixpk= 2734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1522, 662, 663,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 20-2:2735 42 LEU MDX 2.80 (# 2735:20 Single Ambig)
&rst
ixpk= 2735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 614, 615, 617,1411,1412,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 20-2:2736 42 LEU MDY 2.80 (# 2736:20 Single Ambig)
&rst
ixpk= 2736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 614, 615, 617,1411,1412,
igr2= 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 20-2:2738 96 LEU MDX 3.50 (# 2738:20 Single Ambig)
&rst
ixpk= 2738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1369,1370,1455,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 0 AMB 20-2:2739 96 LEU MDX 3.50 (# 2739:20 Single Ambig)
&rst
ixpk= 2739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1452,1453, 568,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 0 AMB 20-2:2740 96 LEU MDX 4.50 (# 2740:20 Single Ambig)
&rst
ixpk= 2740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1403,1315,1316,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 0 AMB 20-2:2743 96 LEU MDX 2.80 (# 2743:20 Single Ambig)
&rst
ixpk= 2743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 551, 552, 553, 555, 556, 557,1130,1131,1132,1134,
1135,1136, 515, 516, 517,
igr2=1457,1458,1459,1461,1462,1463,
&end
#
# 0 AMB 20-2:2744 75 LEU MDX 3.50 (# 2744:20 Single Ambig)
&rst
ixpk= 2744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1125,1126,1375,1376, 294,
igr2=1130,1131,1132,1134,1135,1136,
&end
#
# 0 AMB 20-2:2745 75 LEU MDX 3.50 (# 2745:20 Single Ambig)
&rst
ixpk= 2745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1369,1370,1372,1373,
igr2=1130,1131,1132,1134,1135,1136,
&end
#
# 0 AMB 20-2:2746 75 LEU MDX 2.80 (# 2746:20 Single Ambig)
&rst
ixpk= 2746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
1462,1463,
igr2=1130,1131,1132,1134,1135,1136,
&end
#
# 0 AMB 20-2:2750 75 LEU MDX 4.50 (# 2750:20 Single Ambig)
&rst
ixpk= 2750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1378,1379,1100,1101,
igr2=1130,1131,1132,1134,1135,1136,
&end
#
# 0 AMB 20-2:2754 75 LEU MDX 4.50 (# 2754:20 Single Ambig)
&rst
ixpk= 2754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 328, 316,
igr2=1130,1131,1132,1134,1135,1136,
&end
#
# 0 AMB 20-2:2769 0 AMB 20-1:2769 2.80 (# 2769:20 Double Ambig)
&rst
ixpk= 2769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 296, 297, 298, 300, 301, 302,1165,1166,1167,1169,
1170,1171,
igr2= 291, 292, 291, 292,
&end
#
# 0 AMB 20-2:2778 50 LEU HB- 2.80 (# 2778:20 Single Ambig)
&rst
ixpk= 2778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 261, 262, 263, 265, 266, 267, 740, 741, 742, 744,
745, 746, 740, 741, 742, 744, 745, 746,
igr2= 735, 736,
&end
#
# 0 AMB 20-2:2783 0 AMB 20-1:2783 3.50 (# 2783:20 Double Ambig)
&rst
ixpk= 2783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1550,1501,
igr2=1552,1553,1552,1553,
&end
#
# 0 AMB 20-2:2789 102 LYS HB- 3.50 (# 2789:20 Single Ambig)
&rst
ixpk= 2789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1550,1501,
igr2=1552,1553,
&end
#
# 0 AMB 20-2:2802 66 LYS HB- 3.50 (# 2802:20 Single Ambig)
&rst
ixpk= 2802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1002,1010,1019,
igr2= 984, 985,
&end
#
# 0 AMB 20-2:2818 19 VAL HB 2.80 (# 2818:20 Single Ambig)
&rst
ixpk= 2818, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 261, 262, 263, 265, 266, 267, 740, 741, 742, 744,
745, 746,
&end
#
# 0 AMB 20-2:2839 83 VAL HB 2.80 (# 2839:20 Single Ambig)
&rst
ixpk= 2839, nxpk= 20, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1256,1257,1258,1260,1261,1262,1149,1150,1151,1153,
1154,1155,
&end
#
# 0 AMB 20-2:2854 38 VAL HB 2.80 (# 2854:20 Single Ambig)
&rst
ixpk= 2854, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 551, 552, 553, 555, 556, 557, 515, 516, 517,
&end
#
# 0 AMB 20-2:2855 38 VAL HB 4.50 (# 2855:20 Single Ambig)
&rst
ixpk= 2855, nxpk= 20, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1457,1458,1459,1461,1462,1463, 570, 571, 572, 574,
575, 576,
&end
#
# 0 AMB 20-2:2868 0 AMB 20-1:2868 2.80 (# 2868:20 Double Ambig)
&rst
ixpk= 2868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 677, 678,1050,1051,
igr2= 680, 681,1053,1054,
&end
#
# 0 AMB 20-2:2870 0 AMB 20-1:2870 4.50 (# 2870:20 Double Ambig)
&rst
ixpk= 2870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1534,1046,
igr2= 680, 681,1053,1054,
&end
#
# 0 AMB 20-2:2871 0 AMB 20-1:2871 4.50 (# 2871:20 Double Ambig)
&rst
ixpk= 2871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1534,1046,
igr2= 680, 681,1053,1054,
&end
#
# 0 AMB 20-2:2876 0 AMB 20-1:2876 4.50 (# 2876:20 Double Ambig)
&rst
ixpk= 2876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 612,1347,
igr2= 680, 681, 445, 446,
&end
#
# 0 AMB 20-2:2878 0 AMB 20-1:2878 4.50 (# 2878:20 Double Ambig)
&rst
ixpk= 2878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 617, 614, 615,
igr2= 680, 681, 680, 681,
&end
#
# 0 AMB 20-2:2879 46 MET HG- 4.50 (# 2879:20 Single Ambig)
&rst
ixpk= 2879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 617, 614, 615,
igr2= 680, 681,
&end
#
# 0 AMB 20-2:2898 0 AMB 20-1:2898 3.50 (# 2898:20 Double Ambig)
&rst
ixpk= 2898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1094,1095, 439, 440,
igr2= 445, 446, 445, 446,
&end
#
# 0 AMB 20-2:2907 53 VAL HB 4.50 (# 2907:20 Single Ambig)
&rst
ixpk= 2907, nxpk= 20, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 214, 215, 216, 835, 836, 837,
&end
#
# 0 AMB 20-2:2911 0 AMB 20-1:2911 2.80 (# 2911:20 Double Ambig)
&rst
ixpk= 2911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 261, 262, 263, 265, 266, 267, 740, 741, 742, 744,
745, 746, 740, 741, 742, 744, 745, 746,
igr2= 735, 736, 735, 736, 735, 736,
&end
#
# 0 AMB 20-2:2925 21 LEU HB- 3.50 (# 2925:20 Single Ambig)
&rst
ixpk= 2925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 296, 297, 298, 300, 301, 302,1165,1166,1167,1169,
1170,1171,
igr2= 291, 292,
&end
#
# 0 AMB 20-2:2926 21 LEU HB- 2.80 (# 2926:20 Single Ambig)
&rst
ixpk= 2926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 740, 741, 742, 744, 745, 746, 740, 741, 742, 744,
745, 746, 778, 779, 780,
igr2= 291, 292,
&end
#
# 0 AMB 20-2:2943 0 AMB 20-1:2943 5.50 (# 2943:20 Double Ambig)
&rst
ixpk= 2943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1266,1216,
igr2=1179,1180,1179,1180,
&end
#
# 0 AMB 20-2:2946 78 LEU HB- 5.50 (# 2946:20 Single Ambig)
&rst
ixpk= 2946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1196,1161,
igr2=1179,1180,
&end
#
# 0 AMB 20-2:2947 0 AMB 20-1:2947 5.50 (# 2947:20 Double Ambig)
&rst
ixpk= 2947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1196, 257,
igr2=1179,1180,1179,1180,
&end
#
# 0 AMB 20-2:2952 0 AMB 20-1:2952 3.50 (# 2952:20 Double Ambig)
&rst
ixpk= 2952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 310, 311, 312,1256,1257,1258,1260,1261,1262,
igr2=1144,1145,1144,1145,
&end
#
# 0 AMB 20-2:2953 0 AMB 20-1:2953 4.50 (# 2953:20 Double Ambig)
&rst
ixpk= 2953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1113,1114,1115,1303,1304,1305,
igr2=1144,1145,1144,1145,
&end
#
# 0 AMB 20-2:2954 76 LEU HB- 4.50 (# 2954:20 Single Ambig)
&rst
ixpk= 2954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1113,1114,1115,1303,1304,1305,
igr2=1144,1145,
&end
#
# 0 AMB 20-2:2955 76 LEU HB- 3.50 (# 2955:20 Single Ambig)
&rst
ixpk= 2955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 310, 311, 312,1256,1257,1258,1260,1261,1262,
igr2=1144,1145,
&end
#
# 0 AMB 20-2:2956 76 LEU HB- 3.50 (# 2956:20 Single Ambig)
&rst
ixpk= 2956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1149,1150,1151,1153,1154,1155,1256,1257,1258,1260,
1261,1262,
igr2=1144,1145,
&end
#
# 0 AMB 20-2:2957 0 AMB 20-1:2957 3.50 (# 2957:20 Double Ambig)
&rst
ixpk= 2957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1149,1150,1151,1153,1154,1155,1256,1257,1258,1260,
1261,1262,
igr2=1144,1145,1144,1145,
&end
#
# 0 AMB 20-2:2962 0 AMB 20-1:2962 4.50 (# 2962:20 Double Ambig)
&rst
ixpk= 2962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 310, 311, 312,1256,1257,1258,1260,1261,1262,
igr2=1179,1180,1179,1180,
&end
#
# 0 AMB 20-2:2963 78 LEU HB- 4.50 (# 2963:20 Single Ambig)
&rst
ixpk= 2963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 310, 311, 312,1256,1257,1258,1260,1261,1262,
igr2=1179,1180,
&end
#
# 0 AMB 20-2:2964 78 LEU HB- 3.50 (# 2964:20 Single Ambig)
&rst
ixpk= 2964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1184,1185,1186,1188,1189,1190,1184,1185,1186,1188,
1189,1190,
igr2=1179,1180,
&end
#
# 0 AMB 20-2:2965 0 AMB 20-1:2965 3.50 (# 2965:20 Double Ambig)
&rst
ixpk= 2965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1184,1185,1186,1188,1189,1190,1147,
igr2=1144,1145,1144,1145,
&end
#
# 0 AMB 20-2:2966 76 LEU HB- 3.50 (# 2966:20 Single Ambig)
&rst
ixpk= 2966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1184,1185,1186,1188,1189,1190,1147,
igr2=1144,1145,
&end
#
# 0 AMB 20-2:2979 75 LEU HB- 5.50 (# 2979:20 Single Ambig)
&rst
ixpk= 2979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1109,1161,
igr2=1125,1126,
&end
#
# 0 AMB 20-2:2991 0 AMB 20-1:2991 4.50 (# 2991:20 Double Ambig)
&rst
ixpk= 2991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1289,1290,1491,1492,
igr2=1503,1504,1503,1504,
&end
#
# 0 AMB 20-2:2992 99 LEU HB- 5.50 (# 2992:20 Single Ambig)
&rst
ixpk= 2992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1289,1290,1491,1492,
igr2=1503,1504,
&end
#
# 0 AMB 20-2:2993 99 LEU HB- 4.50 (# 2993:20 Single Ambig)
&rst
ixpk= 2993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1522,1286,1287,
igr2=1503,1504,
&end
#
# 0 AMB 20-2:2999 99 LEU HB- 4.50 (# 2999:20 Single Ambig)
&rst
ixpk= 2999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
1462,1463,
igr2=1503,1504,
&end
#
# 0 AMB 20-2:3006 0 AMB 20-1:3006 4.50 (# 3006:20 Double Ambig)
&rst
ixpk= 3006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 259, 684, 685, 686,
igr2=1591,1592,1591,1592,
&end
#
# 0 AMB 20-2:3007 0 AMB 20-1:3007 2.80 (# 3007:20 Double Ambig)
&rst
ixpk= 3007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
1601,1602,
igr2=1591,1592,1591,1592,
&end
#
# 0 AMB 20-2:3008 0 AMB 20-1:3008 2.80 (# 3008:20 Double Ambig)
&rst
ixpk= 3008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
1601,1602,
igr2=1591,1592,1591,1592,
&end
#
# 0 AMB 20-2:3017 0 AMB 20-1:3017 3.50 (# 3017:20 Double Ambig)
&rst
ixpk= 3017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 662, 663, 599, 600,1471,1472,1522,
igr2= 614, 615, 614, 615, 614, 615, 614, 615,
&end
#
# 0 AMB 20-2:3018 0 AMB 20-1:3018 3.50 (# 3018:20 Double Ambig)
&rst
ixpk= 3018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 551, 552, 553, 555, 556, 557, 565, 566,1408,1409,
igr2= 614, 615, 614, 615, 614, 615,
&end
#
# 0 AMB 20-2:3019 0 AMB 20-1:3019 2.80 (# 3019:20 Double Ambig)
&rst
ixpk= 3019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 619, 620, 621, 623, 624, 625, 619, 620, 621, 623,
624, 625,
igr2= 614, 615, 614, 615,
&end
#
# 0 AMB 20-2:3020 0 AMB 20-1:3020 4.50 (# 3020:20 Double Ambig)
&rst
ixpk= 3020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 595, 561, 641,
igr2= 614, 615, 614, 615, 614, 615,
&end
#
# 0 AMB 20-2:3023 0 AMB 20-1:3023 4.50 (# 3023:20 Double Ambig)
&rst
ixpk= 3023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
1462,1463,
igr2=1369,1370,1369,1370,
&end
#
# 0 AMB 20-2:3024 0 AMB 20-1:3024 5.50 (# 3024:20 Double Ambig)
&rst
ixpk= 3024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1130,1131,1132,1134,1135,1136, 515, 516, 517,
igr2=1369,1370,1369,1370,
&end
#
# 0 AMB 20-2:3031 0 AMB 20-1:3031 3.50 (# 3031:20 Double Ambig)
&rst
ixpk= 3031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1347, 982,
igr2= 512, 513, 990, 991,
&end
#
# 0 AMB 20-2:3042 0 AMB 20-1:3042 3.50 (# 3042:20 Double Ambig)
&rst
ixpk= 3042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 515, 516, 517,1130,1131,1132,1134,1135,1136,
igr2= 512, 513, 512, 513,
&end
#
# 0 AMB 20-2:3044 0 AMB 20-1:3044 3.50 (# 3044:20 Double Ambig)
&rst
ixpk= 3044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 56, 57, 58, 60, 61, 62, 515, 516, 517,1130,
1131,1132,1134,1135,1136,
igr2= 760, 761, 512, 513,
&end
#
# 0 AMB 20-2:3046 54 LYS HD- 5.50 (# 3046:20 Single Ambig)
&rst
ixpk= 3046, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 807, 50, 791,
igr2= 817, 818,
&end
#
# 0 AMB 20-2:3047 0 AMB 20-1:3047 5.50 (# 3047:20 Double Ambig)
&rst
ixpk= 3047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 807, 50, 791,
igr2= 817, 818, 817, 818, 817, 818,
&end
#
# 0 AMB 20-2:3049 0 AMB 20-1:3049 3.50 (# 3049:20 Double Ambig)
&rst
ixpk= 3049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 37, 38, 39, 570, 571, 572, 574, 575, 576, 570,
571, 572, 574, 575, 576,
igr2= 817, 818, 817, 818, 817, 818,
&end
#
# 0 AMB 20-2:3050 54 LYS HD- 3.50 (# 3050:20 Single Ambig)
&rst
ixpk= 3050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 37, 38, 39, 570, 571, 572, 574, 575, 576, 570,
571, 572, 574, 575, 576,
igr2= 817, 818,
&end
#
# 0 AMB 20-2:3056 52 ILE HG1- 2.80 (# 3056:20 Single Ambig)
&rst
ixpk= 3056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 740, 741, 742, 744, 745, 746, 740, 741, 742, 744,
745, 746, 785, 786, 787,
igr2= 782, 783,
&end
#
# 0 AMB 20-2:3075 39 LEU HG 4.50 (# 3075:20 Single Ambig)
&rst
ixpk= 3075, nxpk= 20, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 565, 566, 551, 552, 553, 555, 556, 557,
&end
#
# 0 AMB 20-2:3076 39 LEU HG 2.80 (# 3076:20 Single Ambig)
&rst
ixpk= 3076, nxpk= 20, iat= -1, 568, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
575, 576,
&end
#
# 0 AMB 20-2:3080 104 LEU HG 3.50 (# 3080:20 Single Ambig)
&rst
ixpk= 3080, nxpk= 20, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
1601,1602,
&end
#
# 0 AMB 20-2:3087 96 LEU HG 5.50 (# 3087:20 Single Ambig)
&rst
ixpk= 3087, nxpk= 20, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1403,1388,1389,
&end
#
# 0 AMB 20-2:3089 96 LEU HG 3.50 (# 3089:20 Single Ambig)
&rst
ixpk= 3089, nxpk= 20, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
1462,1463,
&end
#
# 0 AMB 20-2:3098 104 LEU MDX 3.50 (# 3098:20 Single Ambig)
&rst
ixpk= 3098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 259, 684, 685, 686,
igr2=1596,1597,1598,1600,1601,1602,
&end
#
# 0 AMB 20-2:3100 104 LEU MDX 2.80 (# 3100:20 Single Ambig)
&rst
ixpk= 3100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 713, 714,1594,
igr2=1596,1597,1598,1600,1601,1602,
&end
#
# 0 AMB 20-2:3103 50 LEU MDY 3.50 (# 3103:20 Single Ambig)
&rst
ixpk= 3103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 259,1522,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:3105 50 LEU MDY 3.50 (# 3105:20 Single Ambig)
&rst
ixpk= 3105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 782, 783, 735, 736,
igr2= 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 20-2:3111 27 PRO HD- 4.50 (# 3111:20 Single Ambig)
&rst
ixpk= 3111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 363, 372,
igr2= 383, 384,
&end
#
# 0 AMB 20-2:3176 25 TRP HD1 4.50 (# 3176:20 Single Ambig)
&rst
ixpk= 3176, nxpk= 20, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 330, 809,
&end
#
# 0 AMB 20-2:3185 25 TRP HD1 5.50 (# 3185:20 Single Ambig)
&rst
ixpk= 3185, nxpk= 20, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 320, 321, 820, 821,
&end
#
# 0 AMB 20-2:3186 28 TRP HD1 4.50 (# 3186:20 Single Ambig)
&rst
ixpk= 3186, nxpk= 20, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 406,1087,1088,1089,
&end
#
# 0 AMB 20-2:3211 67 TYR HD 5.50 (# 3211:20 Single Ambig)
&rst
ixpk= 3211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.47, r4= 9.97,
igr1=1036,1037,1038,1040,1041,1042,1147,1184,1185,1186,
1188,1189,1190,
igr2=1010,1019,
&end
#
# 0 AMB 10-2:7 88 VAL HN 5.50 (# 7:10 Single Ambig)
&rst
ixpk= 7, nxpk= 10, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1303,1304,1305,1113,1114,1115,
&end
#
# 0 AMB 10-2:25 80 ASP HN 4.50 (# 25:10 Single Ambig)
&rst
ixpk= 25, nxpk= 10, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1204,1205, 275, 237, 238,
&end
#
# 0 AMB 10-2:30 22 ALA HN 2.80 (# 30:10 Single Ambig)
&rst
ixpk= 30, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 289, 308,
&end
#
# 0 AMB 10-2:33 22 ALA HN 4.50 (# 33:10 Single Ambig)
&rst
ixpk= 33, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 294,1179,1180,
&end
#
# 0 AMB 10-2:35 22 ALA HN 2.80 (# 35:10 Single Ambig)
&rst
ixpk= 35, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 296, 297, 298, 300, 301, 302,1184,1185,1186,1188,
1189,1190,
&end
#
# 0 AMB 10-2:39 78 LEU HN 4.50 (# 39:10 Single Ambig)
&rst
ixpk= 39, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1204,1205, 275,
&end
#
# 0 AMB 10-2:41 78 LEU HN 2.80 (# 41:10 Single Ambig)
&rst
ixpk= 41, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1184,1185,1186,1188,1189,1190,1165,1166,1167,1169,
1170,1171,
&end
#
# 0 AMB 10-2:44 78 LEU HN 3.50 (# 44:10 Single Ambig)
&rst
ixpk= 44, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1179,1180,1182,
&end
#
# 0 AMB 10-2:59 20 VAL HN 2.80 (# 59:10 Single Ambig)
&rst
ixpk= 59, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 257,1196,
&end
#
# 0 AMB 10-2:60 20 VAL HN 3.50 (# 60:10 Single Ambig)
&rst
ixpk= 60, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 275,1204,1205,
&end
#
# 0 AMB 10-2:62 20 VAL HN 2.80 (# 62:10 Single Ambig)
&rst
ixpk= 62, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 261, 262, 263, 265, 266, 267, 277, 278, 279, 281,
282, 283, 740, 741, 742, 744, 745, 746,
&end
#
# 0 AMB 10-2:66 15 THR HN 3.50 (# 66:10 Single Ambig)
&rst
ixpk= 66, nxpk= 10, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 212, 185,
&end
#
# 0 AMB 10-2:77 75 LEU HN 3.50 (# 77:10 Single Ambig)
&rst
ixpk= 77, nxpk= 10, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1130,1131,1132,1134,1135,1136,1328,1329,1330,1332,
1333,1334, 515, 516, 517,
&end
#
# 0 AMB 10-2:89 56 ASP HN 2.80 (# 89:10 Single Ambig)
&rst
ixpk= 89, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 852, 853, 892, 893,
&end
#
# 0 AMB 10-2:91 56 ASP HN 4.50 (# 91:10 Single Ambig)
&rst
ixpk= 91, nxpk= 10, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 833, 866, 867, 868, 870, 871, 872,
&end
#
# 0 AMB 10-2:97 4 VAL HN 4.50 (# 97:10 Single Ambig)
&rst
ixpk= 97, nxpk= 10, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 66, 31,
&end
#
# 0 AMB 10-2:100 4 VAL HN 4.50 (# 100:10 Single Ambig)
&rst
ixpk= 100, nxpk= 10, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 35, 811, 812, 73, 74,
&end
#
# 0 AMB 10-2:108 24 PHE HN 2.80 (# 108:10 Single Ambig)
&rst
ixpk= 108, nxpk= 10, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 318, 330,
&end
#
# 0 AMB 10-2:116 52 ILE HN 3.50 (# 116:10 Single Ambig)
&rst
ixpk= 116, nxpk= 10, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 740, 741, 742, 744, 745, 746, 41, 42, 785, 786,
787, 778, 779, 780,
&end
#
# 50 LEU HG 0 AMB 10-1:118 3.50 (# 118:10 Single Ambig)
&rst
ixpk= 118, nxpk= 10, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 287, 772,
&end
#
# 0 AMB 10-2:123 91 LYS HN 3.50 (# 123:10 Single Ambig)
&rst
ixpk= 123, nxpk= 10, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1369,1370,1372,1373,
&end
#
# 51 LYS HN 0 AMB 10-1:126 4.50 (# 126:10 Single Ambig)
&rst
ixpk= 126, nxpk= 10, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 287, 772,
&end
#
# 0 AMB 10-2:130 0 AMB 10-1:130 2.80 (# 130:10 Double Ambig)
&rst
ixpk= 130, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 291, 292, 757, 758,
igr2= 287, 772,
&end
#
# 0 AMB 10-2:131 0 AMB 10-1:131 2.80 (# 131:10 Double Ambig)
&rst
ixpk= 131, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 740, 741, 742, 744, 745, 746, 740, 741, 742, 744,
745, 746, 277, 278, 279, 281, 282, 283,
igr2= 287, 772,
&end
#
# 20 VAL MGX 0 AMB 10-1:132 2.80 (# 132:10 Single Ambig)
&rst
ixpk= 132, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 277, 278, 279, 281, 282, 283,
igr2= 287, 772,
&end
#
# 0 AMB 10-2:147 6 ALA HN 3.50 (# 147:10 Single Ambig)
&rst
ixpk= 147, nxpk= 10, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 73, 74, 811, 812,
&end
#
# 0 AMB 10-2:148 6 ALA HN 2.80 (# 148:10 Single Ambig)
&rst
ixpk= 148, nxpk= 10, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 92, 93, 94, 833, 104, 105, 106,
&end
#
# 0 AMB 10-2:165 5 LYS HN 4.50 (# 165:10 Single Ambig)
&rst
ixpk= 165, nxpk= 10, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 807, 50,
&end
#
# 0 AMB 10-2:170 5 LYS HN 4.50 (# 170:10 Single Ambig)
&rst
ixpk= 170, nxpk= 10, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 73, 74, 811, 812,
&end
#
# 0 AMB 10-2:171 5 LYS HN 4.50 (# 171:10 Single Ambig)
&rst
ixpk= 171, nxpk= 10, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 73, 74, 92, 93, 94,
&end
#
# 0 AMB 10-2:187 104 LEU HN 5.50 (# 187:10 Single Ambig)
&rst
ixpk= 187, nxpk= 10, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1550,1501,
&end
#
# 0 AMB 10-2:192 104 LEU HN 3.50 (# 192:10 Single Ambig)
&rst
ixpk= 192, nxpk= 10, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
1601,1602,
&end
#
# 0 AMB 10-2:193 51 LYS HN 4.50 (# 193:10 Single Ambig)
&rst
ixpk= 193, nxpk= 10, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 287, 772,
&end
#
# 0 AMB 10-2:199 51 LYS HN 3.50 (# 199:10 Single Ambig)
&rst
ixpk= 199, nxpk= 10, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 735, 736, 757, 758,
&end
#
# 23 ASP HN 0 AMB 10-1:208 4.50 (# 208:10 Single Ambig)
&rst
ixpk= 208, nxpk= 10, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 791, 807,
&end
#
# 0 AMB 10-2:210 0 AMB 10-1:210 2.80 (# 210:10 Double Ambig)
&rst
ixpk= 210, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 277, 278, 279, 281, 282, 283, 778, 779, 780,
igr2= 791, 807,
&end
#
# 0 AMB 10-2:212 0 AMB 10-1:212 2.80 (# 212:10 Double Ambig)
&rst
ixpk= 212, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 774, 809,
igr2= 791, 807,
&end
#
# 53 VAL MGY 0 AMB 10-1:213 2.80 (# 213:10 Single Ambig)
&rst
ixpk= 213, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 797, 798, 799, 801, 802, 803,
igr2= 807, 791,
&end
#
# 0 AMB 10-2:215 0 AMB 10-1:215 5.50 (# 215:10 Double Ambig)
&rst
ixpk= 215, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 76, 77, 776,
igr2= 807, 791,
&end
#
# 0 AMB 10-2:216 0 AMB 10-1:216 3.50 (# 216:10 Double Ambig)
&rst
ixpk= 216, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 291, 292, 310, 311, 312, 833,
igr2= 791, 807,
&end
#
# 0 AMB 10-2:221 83 VAL HN 5.50 (# 221:10 Single Ambig)
&rst
ixpk= 221, nxpk= 10, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1235,1282,
&end
#
# 0 AMB 10-2:231 0 AMB 10-1:231 3.50 (# 231:10 Double Ambig)
&rst
ixpk= 231, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 814, 815,1182,
igr2= 807,1250,
&end
#
# 0 AMB 10-2:243 36 ALA HN 4.50 (# 243:10 Single Ambig)
&rst
ixpk= 243, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 454, 487,
&end
#
# 0 AMB 10-2:244 36 ALA HN 2.80 (# 244:10 Single Ambig)
&rst
ixpk= 244, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 532, 533, 523,
&end
#
# 0 AMB 10-2:245 36 ALA HN 4.50 (# 245:10 Single Ambig)
&rst
ixpk= 245, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 506, 535, 536,
&end
#
# 0 AMB 10-2:284 66 LYS HN 2.80 (# 284:10 Single Ambig)
&rst
ixpk= 284, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1002,1010,1019,
&end
#
# 0 AMB 10-2:286 66 LYS HN 2.80 (# 286:10 Single Ambig)
&rst
ixpk= 286, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 982, 975, 976,
&end
#
# 0 AMB 10-2:290 66 LYS HN 4.50 (# 290:10 Single Ambig)
&rst
ixpk= 290, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 990, 991, 967, 968, 969,
&end
#
# 0 AMB 10-2:319 3 ILE HN 4.50 (# 319:10 Single Ambig)
&rst
ixpk= 319, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 50, 772,
&end
#
# 0 AMB 10-2:331 57 VAL HN 4.50 (# 331:10 Single Ambig)
&rst
ixpk= 331, nxpk= 10, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 852, 853, 892, 893, 895, 896,
&end
#
# 0 AMB 10-2:346 57 VAL HN 4.50 (# 346:10 Single Ambig)
&rst
ixpk= 346, nxpk= 10, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 376, 377, 378, 839, 840,
&end
#
# 0 AMB 10-2:347 58 ASP HN 5.50 (# 347:10 Single Ambig)
&rst
ixpk= 347, nxpk= 10, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 895, 896, 864,
&end
#
# 0 AMB 10-2:363 64 ALA HN 2.80 (# 363:10 Single Ambig)
&rst
ixpk= 363, nxpk= 10, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 965, 951,
&end
#
# 0 AMB 10-2:376 62 GLU HN 3.50 (# 376:10 Single Ambig)
&rst
ixpk= 376, nxpk= 10, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 941, 942, 921, 922,
&end
#
# 0 AMB 10-2:390 25 TRP HN 4.50 (# 390:10 Single Ambig)
&rst
ixpk= 390, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 336, 344, 372,
&end
#
# 0 AMB 10-2:399 55 ILE HN 2.80 (# 399:10 Single Ambig)
&rst
ixpk= 399, nxpk= 10, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 809, 330,
&end
#
# 0 AMB 10-2:403 55 ILE HN 3.50 (# 403:10 Single Ambig)
&rst
ixpk= 403, nxpk= 10, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 833, 310, 311, 312,
&end
#
# 0 AMB 10-2:412 60 ASN HD2- 3.50 (# 412:10 Single Ambig)
&rst
ixpk= 412, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 892, 893, 852, 853,
igr2= 912, 913,
&end
#
# 0 AMB 10-2:422 0 AMB 10-1:422 3.50 (# 422:10 Double Ambig)
&rst
ixpk= 422, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 892, 893, 852, 853,
igr2= 912, 913, 912, 913,
&end
#
# 0 AMB 10-2:442 84 VAL HN 4.50 (# 442:10 Single Ambig)
&rst
ixpk= 442, nxpk= 10, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1182,1179,1180,
&end
#
# 0 AMB 10-2:444 23 ASP HN 4.50 (# 444:10 Single Ambig)
&rst
ixpk= 444, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 829,1140,
&end
#
# 0 AMB 10-2:445 23 ASP HN 4.50 (# 445:10 Single Ambig)
&rst
ixpk= 445, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 791, 807,
&end
#
# 0 AMB 10-2:447 23 ASP HN 2.80 (# 447:10 Single Ambig)
&rst
ixpk= 447, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 318, 809,
&end
#
# 0 AMB 10-2:449 23 ASP HN 3.50 (# 449:10 Single Ambig)
&rst
ixpk= 449, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 310, 311, 312, 291, 292, 833,
&end
#
# 0 AMB 10-2:450 23 ASP HN 5.50 (# 450:10 Single Ambig)
&rst
ixpk= 450, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 296, 297, 298, 300, 301, 302, 570, 571, 572, 574,
575, 576,
&end
#
# 0 AMB 10-2:459 77 VAL HN 3.50 (# 459:10 Single Ambig)
&rst
ixpk= 459, nxpk= 10, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1149,1150,1151,1153,1154,1155,1256,1257,1258,1260,
1261,1262,
&end
#
# 0 AMB 10-2:460 77 VAL HN 2.80 (# 460:10 Single Ambig)
&rst
ixpk= 460, nxpk= 10, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1165,1166,1167,1169,1170,1171,1147,1184,1185,1186,
1188,1189,1190,1184,1185,1186,1188,1189,1190,
&end
#
# 0 AMB 10-2:468 95 ALA HN 4.50 (# 468:10 Single Ambig)
&rst
ixpk= 468, nxpk= 10, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1388,1389,1403,
&end
#
# 0 AMB 10-2:469 95 ALA HN 4.50 (# 469:10 Single Ambig)
&rst
ixpk= 469, nxpk= 10, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1394,1395,1430,1431,
&end
#
# 0 AMB 10-2:484 82 GLU HN 3.50 (# 484:10 Single Ambig)
&rst
ixpk= 484, nxpk= 10, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1179,1180,1182,
&end
#
# 0 AMB 10-2:493 87 SER HN 2.80 (# 493:10 Single Ambig)
&rst
ixpk= 493, nxpk= 10, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1303,1304,1305,1113,1114,1115,
&end
#
# 0 AMB 10-2:512 76 LEU HN 3.50 (# 512:10 Single Ambig)
&rst
ixpk= 512, nxpk= 10, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1142, 308,
&end
#
# 0 AMB 10-2:519 76 LEU HN 3.50 (# 519:10 Single Ambig)
&rst
ixpk= 519, nxpk= 10, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1125,1126, 294,
&end
#
# 0 AMB 10-2:521 76 LEU HN 3.50 (# 521:10 Single Ambig)
&rst
ixpk= 521, nxpk= 10, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1149,1150,1151,1153,1154,1155, 296, 297, 298, 300,
301, 302,
&end
#
# 0 AMB 10-2:529 41 GLU HN 3.50 (# 529:10 Single Ambig)
&rst
ixpk= 529, nxpk= 10, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 582, 612,
&end
#
# 0 AMB 10-2:534 41 GLU HN 4.50 (# 534:10 Single Ambig)
&rst
ixpk= 534, nxpk= 10, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 614, 615,1411,1412,
&end
#
# 0 AMB 10-2:542 8 ASP HN 2.80 (# 542:10 Single Ambig)
&rst
ixpk= 542, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 907, 908, 116, 117,
&end
#
# 0 AMB 10-2:547 74 THR HN 4.50 (# 547:10 Single Ambig)
&rst
ixpk= 547, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1130,1131,1132,1134,1135,1136, 515, 516, 517,1328,
1329,1330,1332,1333,1334,
&end
#
# 0 AMB 10-2:552 42 LEU HN 5.50 (# 552:10 Single Ambig)
&rst
ixpk= 552, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1405,1406, 782, 783,
&end
#
# 0 AMB 10-2:556 42 LEU HN 2.80 (# 556:10 Single Ambig)
&rst
ixpk= 556, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 595, 641,
&end
#
# 0 AMB 10-2:560 69 VAL HN 4.50 (# 560:10 Single Ambig)
&rst
ixpk= 560, nxpk= 10, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1002,1010,1019,
&end
#
# 0 AMB 10-2:561 69 VAL HN 2.80 (# 561:10 Single Ambig)
&rst
ixpk= 561, nxpk= 10, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1025,1026, 965,
&end
#
# 0 AMB 10-2:574 74 THR HN 4.50 (# 574:10 Single Ambig)
&rst
ixpk= 574, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1078,1128,
&end
#
# 0 AMB 10-2:577 42 LEU HN 4.50 (# 577:10 Single Ambig)
&rst
ixpk= 577, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 551, 552, 553, 555, 556, 557, 565, 566,
&end
#
# 0 AMB 10-2:581 38 VAL HN 4.50 (# 581:10 Single Ambig)
&rst
ixpk= 581, nxpk= 10, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 568,1405,1406,
&end
#
# 0 AMB 10-2:583 38 VAL HN 3.50 (# 583:10 Single Ambig)
&rst
ixpk= 583, nxpk= 10, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 504, 541,
&end
#
# 0 AMB 10-2:584 38 VAL HN 3.50 (# 584:10 Single Ambig)
&rst
ixpk= 584, nxpk= 10, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 532, 533, 523,
&end
#
# 0 AMB 10-2:594 79 LYS HN 4.50 (# 594:10 Single Ambig)
&rst
ixpk= 594, nxpk= 10, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1216,1266,
&end
#
# 0 AMB 10-2:598 79 LYS HN 4.50 (# 598:10 Single Ambig)
&rst
ixpk= 598, nxpk= 10, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1252, 224,
&end
#
# 0 AMB 10-2:601 79 LYS HN 2.80 (# 601:10 Single Ambig)
&rst
ixpk= 601, nxpk= 10, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1179,1180,1182,
&end
#
# 0 AMB 10-2:602 79 LYS HN 4.50 (# 602:10 Single Ambig)
&rst
ixpk= 602, nxpk= 10, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1184,1185,1186,1188,1189,1190,1165,1166,1167,1169,
1170,1171, 277, 278, 279, 281, 282, 283,
&end
#
# 0 AMB 10-2:608 61 GLN HN 5.50 (# 608:10 Single Ambig)
&rst
ixpk= 608, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 116, 117, 907, 908,
&end
#
# 0 AMB 10-2:609 61 GLN HN 3.50 (# 609:10 Single Ambig)
&rst
ixpk= 609, nxpk= 10, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 924, 925, 907, 908,
&end
#
# 0 AMB 10-2:625 60 ASN HN 4.50 (# 625:10 Single Ambig)
&rst
ixpk= 625, nxpk= 10, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 852, 853, 924, 925,
&end
#
# 0 AMB 10-2:626 60 ASN HN 4.50 (# 626:10 Single Ambig)
&rst
ixpk= 626, nxpk= 10, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 892, 893, 852, 853,
&end
#
# 0 AMB 10-2:645 50 LEU HN 3.50 (# 645:10 Single Ambig)
&rst
ixpk= 645, nxpk= 10, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 740, 741, 742, 744, 745, 746, 740, 741, 742, 744,
745, 746,
&end
#
# 0 AMB 10-2:648 43 ASP HN 5.50 (# 648:10 Single Ambig)
&rst
ixpk= 648, nxpk= 10, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 565, 566,1408,1409,
&end
#
# 0 AMB 10-2:650 96 LEU HN 4.50 (# 650:10 Single Ambig)
&rst
ixpk= 650, nxpk= 10, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1488,1489,1471,1472,
&end
#
# 0 AMB 10-2:656 96 LEU HN 4.50 (# 656:10 Single Ambig)
&rst
ixpk= 656, nxpk= 10, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1403,1388,1389,
&end
#
# 0 AMB 10-2:658 96 LEU HN 2.80 (# 658:10 Single Ambig)
&rst
ixpk= 658, nxpk= 10, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1455,1442,1443,1444,1369,1370,
&end
#
# 0 AMB 10-2:660 96 LEU HN 3.50 (# 660:10 Single Ambig)
&rst
ixpk= 660, nxpk= 10, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
1462,1463,
&end
#
# 0 AMB 10-2:664 43 ASP HN 5.50 (# 664:10 Single Ambig)
&rst
ixpk= 664, nxpk= 10, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 597, 643,
&end
#
# 0 AMB 10-2:665 43 ASP HN 3.50 (# 665:10 Single Ambig)
&rst
ixpk= 665, nxpk= 10, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 582, 612,
&end
#
# 0 AMB 10-2:668 43 ASP HN 4.50 (# 668:10 Single Ambig)
&rst
ixpk= 668, nxpk= 10, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 645, 646, 599, 600, 665, 666,
&end
#
# 0 AMB 10-2:670 43 ASP HN 2.80 (# 670:10 Single Ambig)
&rst
ixpk= 670, nxpk= 10, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 785, 786, 787, 41, 42, 778, 779, 780,
&end
#
# 0 AMB 10-2:671 43 ASP HN 3.50 (# 671:10 Single Ambig)
&rst
ixpk= 671, nxpk= 10, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 44, 45, 46, 619, 620, 621, 623, 624, 625,
&end
#
# 0 AMB 10-2:683 97 GLN HN 4.50 (# 683:10 Single Ambig)
&rst
ixpk= 683, nxpk= 10, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1450,1486,
&end
#
# 0 AMB 10-2:690 97 GLN HN 4.50 (# 690:10 Single Ambig)
&rst
ixpk= 690, nxpk= 10, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1455,1442,1443,1444,
&end
#
# 0 AMB 10-2:691 97 GLN HN 5.50 (# 691:10 Single Ambig)
&rst
ixpk= 691, nxpk= 10, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
1462,1463,
&end
#
# 0 AMB 10-2:705 101 ASN HN 3.50 (# 705:10 Single Ambig)
&rst
ixpk= 705, nxpk= 10, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1522, 684, 685, 686,
&end
#
# 0 AMB 10-2:711 90 PHE HN 2.80 (# 711:10 Single Ambig)
&rst
ixpk= 711, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1340,1341,1094,1095,
&end
#
# 0 AMB 10-2:715 90 PHE HN 5.50 (# 715:10 Single Ambig)
&rst
ixpk= 715, nxpk= 10, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 515, 516, 517,1328,1329,1330,1332,1333,1334,
&end
#
# 0 AMB 10-2:727 48 ASP HN 5.50 (# 727:10 Single Ambig)
&rst
ixpk= 727, nxpk= 10, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
1601,1602, 782, 783,
&end
#
# 0 AMB 10-2:748 85 GLU HN 4.50 (# 748:10 Single Ambig)
&rst
ixpk= 748, nxpk= 10, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1289,1290,1254,
&end
#
# 0 AMB 10-2:749 85 GLU HN 2.80 (# 749:10 Single Ambig)
&rst
ixpk= 749, nxpk= 10, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1163,1286,1287,
&end
#
# 0 AMB 10-2:751 85 GLU HN 3.50 (# 751:10 Single Ambig)
&rst
ixpk= 751, nxpk= 10, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1165,1166,1167,1169,1170,1171,1184,1185,1186,1188,
1189,1190,1184,1185,1186,1188,1189,1190,1147,
&end
#
# 0 AMB 10-2:755 99 LEU HN 4.50 (# 755:10 Single Ambig)
&rst
ixpk= 755, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1448,1583,
&end
#
# 0 AMB 10-2:757 99 LEU HN 2.80 (# 757:10 Single Ambig)
&rst
ixpk= 757, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1501,1486,
&end
#
# 0 AMB 10-2:771 86 THR HN 4.50 (# 771:10 Single Ambig)
&rst
ixpk= 771, nxpk= 10, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1149,1150,1151,1153,1154,1155,1256,1257,1258,1260,
1261,1262,
&end
#
# 0 AMB 10-2:776 17 GLU HN 4.50 (# 776:10 Single Ambig)
&rst
ixpk= 776, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 210,1218,
&end
#
# 0 AMB 10-2:777 17 GLU HN 2.80 (# 777:10 Single Ambig)
&rst
ixpk= 777, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 224, 226, 227,
&end
#
# 0 AMB 10-2:778 17 GLU HN 4.50 (# 778:10 Single Ambig)
&rst
ixpk= 778, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 226, 227, 250, 251,
&end
#
# 0 AMB 10-2:800 39 LEU HN 5.50 (# 800:10 Single Ambig)
&rst
ixpk= 800, nxpk= 10, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 504, 541,
&end
#
# 0 AMB 10-2:805 39 LEU HN 2.80 (# 805:10 Single Ambig)
&rst
ixpk= 805, nxpk= 10, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 565, 566, 551, 552, 553, 555, 556, 557,
&end
#
# 0 AMB 10-2:806 39 LEU HN 3.50 (# 806:10 Single Ambig)
&rst
ixpk= 806, nxpk= 10, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 551, 552, 553, 555, 556, 557, 515, 516, 517,
&end
#
# 0 AMB 10-2:807 39 LEU HN 2.80 (# 807:10 Single Ambig)
&rst
ixpk= 807, nxpk= 10, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
575, 576,
&end
#
# 0 AMB 10-2:812 98 GLU HN 2.80 (# 812:10 Single Ambig)
&rst
ixpk= 812, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1486,1450,
&end
#
# 0 AMB 10-2:820 0 AMB 10-1:820 5.50 (# 820:10 Double Ambig)
&rst
ixpk= 820, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1448, 653, 654,
igr2=1484, 580,
&end
#
# 0 AMB 10-2:824 40 GLU HN 4.50 (# 824:10 Single Ambig)
&rst
ixpk= 824, nxpk= 10, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 545, 653, 654,
&end
#
# 0 AMB 10-2:826 0 AMB 10-1:826 2.80 (# 826:10 Double Ambig)
&rst
ixpk= 826, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 587, 588,1474,1475,
igr2= 580,1484,
&end
#
# 0 AMB 10-2:842 44 GLN HN 5.50 (# 842:10 Single Ambig)
&rst
ixpk= 842, nxpk= 10, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 614, 615, 617,
&end
#
# 0 AMB 10-2:843 40 GLU HN 2.80 (# 843:10 Single Ambig)
&rst
ixpk= 843, nxpk= 10, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 561, 595,
&end
#
# 0 AMB 10-2:844 40 GLU HN 2.80 (# 844:10 Single Ambig)
&rst
ixpk= 844, nxpk= 10, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 582, 523,
&end
#
# 0 AMB 10-2:845 40 GLU HN 3.50 (# 845:10 Single Ambig)
&rst
ixpk= 845, nxpk= 10, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 44, 45, 46, 570, 571, 572, 574, 575, 576,
&end
#
# 0 AMB 10-2:855 45 GLU HN 2.80 (# 855:10 Single Ambig)
&rst
ixpk= 855, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 665, 666, 645, 646,
&end
#
# 0 AMB 10-2:861 35 ILE HN 3.50 (# 861:10 Single Ambig)
&rst
ixpk= 861, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 454, 487,
&end
#
# 0 AMB 10-2:865 35 ILE HN 5.50 (# 865:10 Single Ambig)
&rst
ixpk= 865, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 515, 516, 517, 551, 552, 553, 555, 556, 557,
&end
#
# 0 AMB 10-2:869 45 GLU HN 4.50 (# 869:10 Single Ambig)
&rst
ixpk= 869, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 648, 649, 680, 681, 602, 603,
&end
#
# 0 AMB 10-2:885 59 GLU HN 2.80 (# 885:10 Single Ambig)
&rst
ixpk= 885, nxpk= 10, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 892, 893, 895, 896,
&end
#
# 0 AMB 10-2:892 34 MET HN 2.80 (# 892:10 Single Ambig)
&rst
ixpk= 892, nxpk= 10, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 487, 454,
&end
#
# 0 AMB 10-2:897 34 MET HN 2.80 (# 897:10 Single Ambig)
&rst
ixpk= 897, nxpk= 10, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 489, 490, 467, 468,
&end
#
# 0 AMB 10-2:901 0 AMB 10-1:901 2.80 (# 901:10 Double Ambig)
&rst
ixpk= 901, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1550,1501, 862,
igr2=1548, 888,
&end
#
# 0 AMB 10-2:902 102 LYS HN 3.50 (# 902:10 Single Ambig)
&rst
ixpk= 902, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1538,1539,1561,1562,
&end
#
# 0 AMB 10-2:907 102 LYS HN 3.50 (# 907:10 Single Ambig)
&rst
ixpk= 907, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1538,1539,1574,1575,
&end
#
# 0 AMB 10-2:908 102 LYS HN 2.80 (# 908:10 Single Ambig)
&rst
ixpk= 908, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1552,1553,1558,1559,
&end
#
# 0 AMB 10-2:910 102 LYS HN 2.80 (# 910:10 Single Ambig)
&rst
ixpk= 910, nxpk= 10, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1555,1556,1555,1556,
&end
#
# 0 AMB 10-2:915 94 GLU HN 3.50 (# 915:10 Single Ambig)
&rst
ixpk= 915, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1430,1431,1394,1395,
&end
#
# 0 AMB 10-2:921 94 GLU HN 5.50 (# 921:10 Single Ambig)
&rst
ixpk= 921, nxpk= 10, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1442,1443,1444,1455,1369,1370,
&end
#
# 0 AMB 10-2:929 12 SER HN 2.80 (# 929:10 Single Ambig)
&rst
ixpk= 929, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 183, 193,
&end
#
# 0 AMB 10-2:931 103 HIS HN 4.50 (# 931:10 Single Ambig)
&rst
ixpk= 931, nxpk= 10, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1594,1503,1504,
&end
#
# 0 AMB 10-2:945 9 GLN HN 3.50 (# 945:10 Single Ambig)
&rst
ixpk= 945, nxpk= 10, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 116, 117, 907, 908,
&end
#
# 0 AMB 10-2:948 9 GLN HN 5.50 (# 948:10 Single Ambig)
&rst
ixpk= 948, nxpk= 10, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 104, 105, 106, 92, 93, 94,
&end
#
# 0 AMB 10-2:961 103 HIS HN 4.50 (# 961:10 Single Ambig)
&rst
ixpk= 961, nxpk= 10, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1550,1501,
&end
#
# 0 AMB 10-2:962 16 SER HN 5.50 (# 962:10 Single Ambig)
&rst
ixpk= 962, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 193, 183,
&end
#
# 0 AMB 10-2:967 16 SER HN 4.50 (# 967:10 Single Ambig)
&rst
ixpk= 967, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 185, 212,
&end
#
# 0 AMB 10-2:968 16 SER HN 2.80 (# 968:10 Single Ambig)
&rst
ixpk= 968, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 226, 227, 224,
&end
#
# 0 AMB 10-2:977 32 CYS HN 3.50 (# 977:10 Single Ambig)
&rst
ixpk= 977, nxpk= 10, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1097,1098, 473, 474,
&end
#
# 0 AMB 10-2:982 0 AMB 10-1:982 2.80 (# 982:10 Double Ambig)
&rst
ixpk= 982, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1067,1068, 439, 440,
igr2=1063, 452,
&end
#
# 0 AMB 10-2:984 0 AMB 10-1:984 3.50 (# 984:10 Double Ambig)
&rst
ixpk= 984, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1100,1101,1050,1051, 467, 468,
igr2= 452,1063,
&end
#
# 0 AMB 10-2:989 46 MET HN 3.50 (# 989:10 Single Ambig)
&rst
ixpk= 989, nxpk= 10, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 660, 692, 693,
&end
#
# 0 AMB 10-2:1025 10 SER HN 4.50 (# 1025:10 Single Ambig)
&rst
ixpk= 1025, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 131, 132, 200, 201,
&end
#
# 0 AMB 10-2:1027 10 SER HN 4.50 (# 1027:10 Single Ambig)
&rst
ixpk= 1027, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 92, 93, 94, 104, 105, 106,
&end
#
# 0 AMB 10-2:1034 67 TYR HN 3.50 (# 1034:10 Single Ambig)
&rst
ixpk= 1034, nxpk= 10, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 982, 975, 976,
&end
#
# 0 AMB 10-2:1035 67 TYR HN 3.50 (# 1035:10 Single Ambig)
&rst
ixpk= 1035, nxpk= 10, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 965,1025,1026,
&end
#
# 0 AMB 10-2:1048 0 AMB 10-1:1048 5.50 (# 1048:10 Double Ambig)
&rst
ixpk= 1048, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 116, 117, 907, 908,
igr2= 136, 137, 136, 137,
&end
#
# 0 AMB 10-2:1058 0 AMB 10-1:1058 4.50 (# 1058:10 Double Ambig)
&rst
ixpk= 1058, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 116, 117, 907, 908,
igr2= 929, 930, 929, 930,
&end
#
# 0 AMB 10-2:1061 0 AMB 10-1:1061 3.50 (# 1061:10 Double Ambig)
&rst
ixpk= 1061, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 924, 925, 131, 132,
igr2= 929, 930, 136, 137,
&end
#
# 0 AMB 10-2:1071 0 AMB 10-1:1071 3.50 (# 1071:10 Double Ambig)
&rst
ixpk= 1071, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 924, 925, 131, 132,
igr2= 929, 930, 136, 137,
&end
#
# 0 AMB 10-2:1072 0 AMB 10-1:1072 3.50 (# 1072:10 Double Ambig)
&rst
ixpk= 1072, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 924, 925, 131, 132,
igr2= 929, 930, 136, 137,
&end
#
# 0 AMB 10-2:1096 89 GLY HN 2.80 (# 1096:10 Single Ambig)
&rst
ixpk= 1096, nxpk= 10, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1340,1341,1094,1095,
&end
#
# 0 AMB 10-2:1097 89 GLY HN 4.50 (# 1097:10 Single Ambig)
&rst
ixpk= 1097, nxpk= 10, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1100,1101,1326,
&end
#
# 0 AMB 10-2:1106 100 VAL HN 5.50 (# 1106:10 Single Ambig)
&rst
ixpk= 1106, nxpk= 10, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1484,1479,1480,
&end
#
# 0 AMB 10-2:1108 100 VAL HN 3.50 (# 1108:10 Single Ambig)
&rst
ixpk= 1108, nxpk= 10, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1501,1486,
&end
#
# 0 AMB 10-2:1115 100 VAL HN 4.50 (# 1115:10 Single Ambig)
&rst
ixpk= 1115, nxpk= 10, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 619, 620, 621, 623, 624, 625, 296, 297, 298, 300,
301, 302,1165,1166,1167,1169,1170,1171,
&end
#
# 0 AMB 10-2:1125 0 AMB 10-1:1125 5.50 (# 1125:10 Double Ambig)
&rst
ixpk= 1125, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 648, 649, 602, 603,
igr2= 653, 654, 653, 654,
&end
#
# 0 AMB 10-2:1136 44 GLN HE2- 5.50 (# 1136:10 Single Ambig)
&rst
ixpk= 1136, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 648, 649, 602, 603,
igr2= 653, 654,
&end
#
# 0 AMB 10-2:1154 28 TRP HN 4.50 (# 1154:10 Single Ambig)
&rst
ixpk= 1154, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 400, 401, 374,
&end
#
# 0 AMB 10-2:1160 0 AMB 10-1:1160 3.50 (# 1160:10 Double Ambig)
&rst
ixpk= 1160, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1474,1475,1430,1431,
igr2=1479,1480,1479,1480,
&end
#
# 0 AMB 10-2:1161 0 AMB 10-1:1161 4.50 (# 1161:10 Double Ambig)
&rst
ixpk= 1161, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1471,1472, 684, 685, 686,
igr2=1479,1480,1479,1480,
&end
#
# 0 AMB 10-2:1162 97 GLN HE2- 4.50 (# 1162:10 Single Ambig)
&rst
ixpk= 1162, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1474,1475,1430,1431,
igr2=1479,1480,
&end
#
# 0 AMB 10-2:1167 0 AMB 10-1:1167 4.50 (# 1167:10 Double Ambig)
&rst
ixpk= 1167, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1499,1548,
igr2=1479,1480,1479,1480,
&end
#
# 0 AMB 10-2:1178 97 GLN HE2- 4.50 (# 1178:10 Single Ambig)
&rst
ixpk= 1178, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1499,1548,
igr2=1479,1480,
&end
#
# 0 AMB 10-2:1180 97 GLN HE2- 4.50 (# 1180:10 Single Ambig)
&rst
ixpk= 1180, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 684, 685, 686,1522, 662, 663,
igr2=1479,1480,
&end
#
# 0 AMB 10-2:1210 101 ASN HD2- 4.50 (# 1210:10 Single Ambig)
&rst
ixpk= 1210, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 684, 685, 686,1471,1472,1522,
igr2=1543,1544,
&end
#
# 0 AMB 10-2:1213 0 AMB 10-1:1213 3.50 (# 1213:10 Double Ambig)
&rst
ixpk= 1213, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1538,1539,1561,1562,
igr2=1543,1544,1543,1544,
&end
#
# 0 AMB 10-2:1215 0 AMB 10-1:1215 5.50 (# 1215:10 Double Ambig)
&rst
ixpk= 1215, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 684, 685, 686,1471,1472,1522,
igr2=1543,1544,1543,1544,1543,1544,
&end
#
# 0 AMB 10-2:1216 101 ASN HD2- 3.50 (# 1216:10 Single Ambig)
&rst
ixpk= 1216, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1538,1539,1561,1562,
igr2=1543,1544,
&end
#
# 0 AMB 10-2:1225 7 THR HN 2.80 (# 1225:10 Single Ambig)
&rst
ixpk= 1225, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 92, 93, 94, 104, 105, 106,
&end
#
# 0 AMB 10-2:1230 19 VAL HN 5.50 (# 1230:10 Single Ambig)
&rst
ixpk= 1230, nxpk= 10, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1204,1205, 754, 755, 713, 714, 237, 238, 275,
&end
#
# 0 AMB 10-2:1231 3 ILE HN 5.50 (# 1231:10 Single Ambig)
&rst
ixpk= 1231, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 776, 76, 77,
&end
#
# 0 AMB 10-2:1236 58 ASP HN 5.50 (# 1236:10 Single Ambig)
&rst
ixpk= 1236, nxpk= 10, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 895, 896, 852, 853, 892, 893,
&end
#
# 0 AMB 10-2:1250 4 VAL HN 5.50 (# 1250:10 Single Ambig)
&rst
ixpk= 1250, nxpk= 10, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 757, 758, 795,
&end
#
# 0 AMB 10-2:1251 4 VAL HN 3.50 (# 1251:10 Single Ambig)
&rst
ixpk= 1251, nxpk= 10, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 41, 42, 778, 779, 780,
&end
#
# 0 AMB 10-2:1253 4 VAL HN 5.50 (# 1253:10 Single Ambig)
&rst
ixpk= 1253, nxpk= 10, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 817, 818, 73, 74,
&end
#
# 0 AMB 10-2:1254 4 VAL HN 4.50 (# 1254:10 Single Ambig)
&rst
ixpk= 1254, nxpk= 10, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 776, 76, 77,
&end
#
# 0 AMB 10-2:1256 20 VAL HN 5.50 (# 1256:10 Single Ambig)
&rst
ixpk= 1256, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1179,1180, 738,
&end
#
# 0 AMB 10-2:1258 20 VAL HN 4.50 (# 1258:10 Single Ambig)
&rst
ixpk= 1258, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 287,1194,
&end
#
# 0 AMB 10-2:1271 13 ALA HN 5.50 (# 1271:10 Single Ambig)
&rst
ixpk= 1271, nxpk= 10, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 195, 126,
&end
#
# 0 AMB 10-2:1277 11 PHE HN 5.50 (# 1277:10 Single Ambig)
&rst
ixpk= 1277, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 128, 129, 200, 201,
&end
#
# 0 AMB 10-2:1280 11 PHE HN 5.50 (# 1280:10 Single Ambig)
&rst
ixpk= 1280, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 126, 195,
&end
#
# 0 AMB 10-2:1282 11 PHE HN 5.50 (# 1282:10 Single Ambig)
&rst
ixpk= 1282, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 183, 193,
&end
#
# 0 AMB 10-2:1285 19 VAL HN 5.50 (# 1285:10 Single Ambig)
&rst
ixpk= 1285, nxpk= 10, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 713, 714, 237, 238,
&end
#
# 0 AMB 10-2:1286 19 VAL HN 5.50 (# 1286:10 Single Ambig)
&rst
ixpk= 1286, nxpk= 10, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
1601,1602,
&end
#
# 0 AMB 10-2:1303 74 THR HN 5.50 (# 1303:10 Single Ambig)
&rst
ixpk= 1303, nxpk= 10, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1324,1065,
&end
#
# 0 AMB 10-2:1304 42 LEU HN 5.50 (# 1304:10 Single Ambig)
&rst
ixpk= 1304, nxpk= 10, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 602, 603, 648, 649, 680, 681,
&end
#
# 0 AMB 10-2:1315 25 TRP HE1 5.50 (# 1315:10 Single Ambig)
&rst
ixpk= 1315, nxpk= 10, iat= -1, 358, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 809, 330,
&end
#
# 0 AMB 10-2:1321 80 ASP HN 5.50 (# 1321:10 Single Ambig)
&rst
ixpk= 1321, nxpk= 10, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 250, 251, 224,
&end
#
# 0 AMB 10-2:1326 78 LEU HN 5.50 (# 1326:10 Single Ambig)
&rst
ixpk= 1326, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1194, 287,
&end
#
# 0 AMB 10-2:1328 22 ALA HN 5.50 (# 1328:10 Single Ambig)
&rst
ixpk= 1328, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 316, 328,
&end
#
# 0 AMB 10-2:1329 22 ALA HN 5.50 (# 1329:10 Single Ambig)
&rst
ixpk= 1329, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1144,1145, 795,
&end
#
# 0 AMB 10-2:1331 78 LEU HN 5.50 (# 1331:10 Single Ambig)
&rst
ixpk= 1331, nxpk= 10, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 310, 311, 312, 291, 292,1256,1257,1258,1260,1261,
1262,
&end
#
# 0 AMB 10-2:1332 22 ALA HN 5.50 (# 1332:10 Single Ambig)
&rst
ixpk= 1332, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1130,1131,1132,1134,1135,1136, 782, 783,
&end
#
# 0 AMB 10-2:1335 81 GLY HN 4.50 (# 1335:10 Single Ambig)
&rst
ixpk= 1335, nxpk= 10, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1184,1185,1186,1188,1189,1190, 277, 278, 279, 281,
282, 283,
&end
#
# 0 AMB 10-2:1339 15 THR HN 5.50 (# 1339:10 Single Ambig)
&rst
ixpk= 1339, nxpk= 10, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 187, 188, 189, 795,
&end
#
# 0 AMB 10-2:1340 65 GLY HN 5.50 (# 1340:10 Single Ambig)
&rst
ixpk= 1340, nxpk= 10, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1002,1010,1019,
&end
#
# 0 AMB 10-2:1344 75 LEU HN 5.50 (# 1344:10 Single Ambig)
&rst
ixpk= 1344, nxpk= 10, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1107,1338,
&end
#
# 0 AMB 10-2:1351 24 PHE HN 5.50 (# 1351:10 Single Ambig)
&rst
ixpk= 1351, nxpk= 10, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1128,1144,1145,1078,
&end
#
# 0 AMB 10-2:1352 24 PHE HN 5.50 (# 1352:10 Single Ambig)
&rst
ixpk= 1352, nxpk= 10, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 310, 311, 312, 866, 867, 868, 870, 871, 872,
&end
#
# 53 VAL MGY 0 AMB 10-1:1353 5.50 (# 1353:10 Single Ambig)
&rst
ixpk= 1353, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 797, 798, 799, 801, 802, 803,
igr2= 287, 772,
&end
#
# 0 AMB 10-2:1355 91 LYS HN 5.50 (# 1355:10 Single Ambig)
&rst
ixpk= 1355, nxpk= 10, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1349,1350,1378,1379,
&end
#
# 0 AMB 10-2:1357 91 LYS HN 5.50 (# 1357:10 Single Ambig)
&rst
ixpk= 1357, nxpk= 10, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
1462,1463,
&end
#
# 0 AMB 10-2:1364 0 AMB 10-1:1364 4.50 (# 1364:10 Double Ambig)
&rst
ixpk= 1364, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 782, 783, 56, 57, 58, 60, 61, 62,
igr2= 791, 807,
&end
#
# 0 AMB 10-2:1368 36 ALA HN 5.50 (# 1368:10 Single Ambig)
&rst
ixpk= 1368, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
575, 576,
&end
#
# 0 AMB 10-2:1369 36 ALA HN 5.50 (# 1369:10 Single Ambig)
&rst
ixpk= 1369, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 551, 552, 553, 555, 556, 557, 515, 516, 517,
&end
#
# 0 AMB 10-2:1371 36 ALA HN 5.50 (# 1371:10 Single Ambig)
&rst
ixpk= 1371, nxpk= 10, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 568,1097,1098, 473, 474,
&end
#
# 0 AMB 10-2:1375 66 LYS HN 5.50 (# 1375:10 Single Ambig)
&rst
ixpk= 1375, nxpk= 10, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 941, 942,1006,1007,
&end
#
# 0 AMB 10-2:1379 57 VAL HN 5.50 (# 1379:10 Single Ambig)
&rst
ixpk= 1379, nxpk= 10, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 332, 333, 383, 384,
&end
#
# 0 AMB 10-2:1382 57 VAL HN 5.50 (# 1382:10 Single Ambig)
&rst
ixpk= 1382, nxpk= 10, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 336, 344, 372,
&end
#
# 0 AMB 10-2:1389 29 CYS HN 5.50 (# 1389:10 Single Ambig)
&rst
ixpk= 1389, nxpk= 10, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 400, 401, 374,1094,1095,
&end
#
# 0 AMB 10-2:1391 55 ILE HN 5.50 (# 1391:10 Single Ambig)
&rst
ixpk= 1391, nxpk= 10, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 316, 328,
&end
#
# 0 AMB 10-2:1393 55 ILE HN 5.50 (# 1393:10 Single Ambig)
&rst
ixpk= 1393, nxpk= 10, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 320, 321, 820, 821,
&end
#
# 0 AMB 10-2:1400 33 LYS HN 5.50 (# 1400:10 Single Ambig)
&rst
ixpk= 1400, nxpk= 10, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 492, 493, 425,
&end
#
# 0 AMB 10-2:1407 84 VAL HN 5.50 (# 1407:10 Single Ambig)
&rst
ixpk= 1407, nxpk= 10, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1163,1286,1287,
&end
#
# 0 AMB 10-2:1410 84 VAL HN 4.50 (# 1410:10 Single Ambig)
&rst
ixpk= 1410, nxpk= 10, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1184,1185,1186,1188,1189,1190,1165,1166,1167,1169,
1170,1171,
&end
#
# 0 AMB 10-2:1411 82 GLU HN 5.50 (# 1411:10 Single Ambig)
&rst
ixpk= 1411, nxpk= 10, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 224,1252, 226, 227,
&end
#
# 0 AMB 10-2:1412 82 GLU HN 5.50 (# 1412:10 Single Ambig)
&rst
ixpk= 1412, nxpk= 10, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1216,1266,
&end
#
# 0 AMB 10-2:1414 76 LEU HN 5.50 (# 1414:10 Single Ambig)
&rst
ixpk= 1414, nxpk= 10, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1113,1114,1115,1303,1304,1305,
&end
#
# 0 AMB 10-2:1415 41 GLU HN 5.50 (# 1415:10 Single Ambig)
&rst
ixpk= 1415, nxpk= 10, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 565, 566, 551, 552, 553, 555, 556, 557,
&end
#
# 0 AMB 10-2:1417 41 GLU HN 5.50 (# 1417:10 Single Ambig)
&rst
ixpk= 1417, nxpk= 10, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 619, 620, 621, 623, 624, 625, 619, 620, 621, 623,
624, 625, 44, 45, 46,
&end
#
# 0 AMB 10-2:1418 41 GLU HN 5.50 (# 1418:10 Single Ambig)
&rst
ixpk= 1418, nxpk= 10, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 653, 654, 545,
&end
#
# 0 AMB 10-2:1427 101 ASN HN 5.50 (# 1427:10 Single Ambig)
&rst
ixpk= 1427, nxpk= 10, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1552,1553,1503,1504,1558,1559,1591,1592,
&end
#
# 0 AMB 10-2:1442 15 THR HN 5.50 (# 1442:10 Single Ambig)
&rst
ixpk= 1442, nxpk= 10, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 277, 278, 279, 281, 282, 283,1184,1185,1186,1188,
1189,1190,
&end
#
# 0 AMB 10-2:1443 16 SER HN 5.50 (# 1443:10 Single Ambig)
&rst
ixpk= 1443, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 237, 238, 275,
&end
#
# 0 AMB 10-2:1447 0 AMB 10-1:1447 3.50 (# 1447:10 Double Ambig)
&rst
ixpk= 1447, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 754, 755, 275, 754, 755,
igr2= 772, 287,
&end
#
# 0 AMB 10-2:1448 0 AMB 10-1:1448 4.50 (# 1448:10 Double Ambig)
&rst
ixpk= 1448, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1149,1150,1151,1153,1154,1155, 296, 297, 298, 300,
301, 302, 778, 779, 780,
igr2=1311, 316,
&end
#
# 0 AMB 10-2:1449 23 ASP HN 4.50 (# 1449:10 Single Ambig)
&rst
ixpk= 1449, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1130,1131,1132,1134,1135,1136, 782, 783,
&end
#
# 0 AMB 10-2:1450 23 ASP HN 5.50 (# 1450:10 Single Ambig)
&rst
ixpk= 1450, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 294, 814, 815,
&end
#
# 0 AMB 10-2:1451 23 ASP HN 5.50 (# 1451:10 Single Ambig)
&rst
ixpk= 1451, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 795,1144,1145,
&end
#
# 0 AMB 10-2:1452 28 TRP HN 5.50 (# 1452:10 Single Ambig)
&rst
ixpk= 1452, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 406,1087,1088,1089,
&end
#
# 0 AMB 10-2:1456 71 SER HN 5.50 (# 1456:10 Single Ambig)
&rst
ixpk= 1456, nxpk= 10, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 866, 867, 868, 870, 871, 872,1328,1329,1330,1332,
1333,1334,
&end
#
# 0 AMB 10-2:1457 35 ILE HN 4.50 (# 1457:10 Single Ambig)
&rst
ixpk= 1457, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 512, 513, 473, 474,
&end
#
# 0 AMB 10-2:1460 34 MET HN 5.50 (# 1460:10 Single Ambig)
&rst
ixpk= 1460, nxpk= 10, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 473, 474, 512, 513,
&end
#
# 0 AMB 10-2:1462 38 VAL HN 5.50 (# 1462:10 Single Ambig)
&rst
ixpk= 1462, nxpk= 10, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 570, 571, 572, 574, 575, 576, 570, 571, 572, 574,
575, 576,
&end
#
# 0 AMB 10-2:1466 39 LEU HN 5.50 (# 1466:10 Single Ambig)
&rst
ixpk= 1466, nxpk= 10, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 614, 615, 617,
&end
#
# 0 AMB 10-2:1468 0 AMB 10-1:1468 5.50 (# 1468:10 Double Ambig)
&rst
ixpk= 1468, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 614, 615, 617,1558,1559,
igr2= 580,1484,
&end
#
# 0 AMB 10-2:1469 45 GLU HN 5.50 (# 1469:10 Single Ambig)
&rst
ixpk= 1469, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 617, 614, 615,1411,1412,
&end
#
# 0 AMB 10-2:1470 46 MET HN 5.50 (# 1470:10 Single Ambig)
&rst
ixpk= 1470, nxpk= 10, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 614, 615, 617,
&end
#
# 0 AMB 10-2:1471 46 MET HN 5.50 (# 1471:10 Single Ambig)
&rst
ixpk= 1471, nxpk= 10, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 740, 741, 742, 744, 745, 746, 785, 786, 787,
&end
#
# 0 AMB 10-2:1472 48 ASP HN 5.50 (# 1472:10 Single Ambig)
&rst
ixpk= 1472, nxpk= 10, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 735, 736, 713, 714,
&end
#
# 0 AMB 10-2:1474 49 LYS HN 5.50 (# 1474:10 Single Ambig)
&rst
ixpk= 1474, nxpk= 10, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
1601,1602,
&end
#
# 0 AMB 10-2:1477 67 TYR HN 5.50 (# 1477:10 Single Ambig)
&rst
ixpk= 1477, nxpk= 10, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 987, 988,1149,1150,1151,1153,1154,1155,
&end
#
# 0 AMB 10-2:1479 67 TYR HN 5.50 (# 1479:10 Single Ambig)
&rst
ixpk= 1479, nxpk= 10, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 990, 991, 967, 968, 969,
&end
#
# 0 AMB 10-2:1481 68 GLY HN 5.50 (# 1481:10 Single Ambig)
&rst
ixpk= 1481, nxpk= 10, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1034,1057,1058,1059,
&end
#
# 0 AMB 10-2:1483 96 LEU HN 4.50 (# 1483:10 Single Ambig)
&rst
ixpk= 1483, nxpk= 10, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 619, 620, 621, 623, 624, 625, 619, 620, 621, 623,
624, 625,
&end
#
# 0 AMB 10-2:1485 98 GLU HN 5.50 (# 1485:10 Single Ambig)
&rst
ixpk= 1485, nxpk= 10, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1442,1443,1444,1455,1369,1370,1552,1553,
&end
#
# 0 AMB 10-2:1487 99 LEU HN 5.50 (# 1487:10 Single Ambig)
&rst
ixpk= 1487, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1457,1458,1459,1461,1462,1463,1457,1458,1459,1461,
1462,1463,
&end
#
# 0 AMB 10-2:1489 103 HIS HN 5.50 (# 1489:10 Single Ambig)
&rst
ixpk= 1489, nxpk= 10, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1555,1556,1555,1556,
&end
#
# 0 AMB 10-2:1490 103 HIS HN 5.50 (# 1490:10 Single Ambig)
&rst
ixpk= 1490, nxpk= 10, iat= -1,1570, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1596,1597,1598,1600,1601,1602,1596,1597,1598,1600,
1601,1602,
&end
#
# 0 AMB 10-2:1494 99 LEU HN 4.50 (# 1494:10 Single Ambig)
&rst
ixpk= 1494, nxpk= 10, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1491,1492,1474,1475,
&end
#
# 0 AMB 10-2:1503 60 ASN HN 5.50 (# 1503:10 Single Ambig)
&rst
ixpk= 1503, nxpk= 10, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 895, 896, 864,
&end
#
# 0 AMB 10-2:1505 47 GLY HN 5.50 (# 1505:10 Single Ambig)
&rst
ixpk= 1505, nxpk= 10, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 680, 681, 648, 649,
&end
#
# 0 AMB 10-2:1507 47 GLY HN 4.50 (# 1507:10 Single Ambig)
&rst
ixpk= 1507, nxpk= 10, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 662, 663, 684, 685, 686,
&end
#
# 0 AMB 10-2:1508 45 GLU HN 5.50 (# 1508:10 Single Ambig)
&rst
ixpk= 1508, nxpk= 10, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1414,1415, 633, 634,
&end
#
# 0 AMB 10-2:1509 43 ASP HN 5.50 (# 1509:10 Single Ambig)
&rst
ixpk= 1509, nxpk= 10, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 584, 585, 662, 663,
&end
#
# 0 AMB 10-2:1510 35 ILE HN 4.50 (# 1510:10 Single Ambig)
&rst
ixpk= 1510, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 532, 533, 523,
&end
#
# 0 AMB 10-2:1511 35 ILE HN 5.50 (# 1511:10 Single Ambig)
&rst
ixpk= 1511, nxpk= 10, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 492, 493, 549,
&end
#
# 0 AMB 10-2:1513 10 SER HN 5.50 (# 1513:10 Single Ambig)
&rst
ixpk= 1513, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 116, 117, 907, 908,
&end
#
# 0 AMB 10-2:1523 50 LEU HN 5.50 (# 1523:10 Single Ambig)
&rst
ixpk= 1523, nxpk= 10, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 675, 752,
&end
#
# 0 AMB 10-2:1530 71 SER HN 5.50 (# 1530:10 Single Ambig)
&rst
ixpk= 1530, nxpk= 10, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1074,1107,
&end
#
# 31 PRO HA 31 PRO HG+ 2.80 (# Unique 3238:20)
&rst
ixpk= 1530, nxpk= 10, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 442, 443,
&end
#
# 31 PRO HA 31 PRO HG- 2.80 (# Unique 3239:20)
&rst
ixpk= 1530, nxpk= 10, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 442, 443,
&end
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