*HEADER    OXIDOREDUCTASE                          29-SEP-05   2B5Y              
*TITLE     SOLUTION STRUCTURE OF A THIOREDOXIN-LIKE PROTEIN IN THE               
*TITLE    2 OXIDIZED FORM                                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: YKUV PROTEIN;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1-148;                                            
*COMPND   5 SYNONYM: TRXY;                                                       
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET21A                                    
*KEYWDS    THIOREDOXIN-LIKE                                                      
*EXPDTA    NMR, 11 STRUCTURES                                                    
*AUTHOR    X.ZHANG, B.XIA, C.JIN                                                 
*REVDAT   1   17-JAN-06 2B5Y    0                                                

#
#   94 ILE  HA           95 PHE  HN          3.00    (#      0:10  Unique         2.18, 2.24 A)
 &rst
  ixpk= 0, nxpk= 10, iat=1493,1510, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   94 ILE  QG2          95 PHE  HN          4.00    (#      1:10  Unique         1.90, 3.42 A)
 &rst
  ixpk= 1, nxpk= 10, iat=  -1,1510, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1497,1498,1499,
 &end
#
#   95 PHE  HA           96 VAL  HN          3.00    (#      2:10  Unique         2.19, 2.25 A)
 &rst
  ixpk= 2, nxpk= 10, iat=1512,1530, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   96 VAL  HB           96 VAL  HN          4.00    (#      3:10  Unique         2.47, 2.97 A)
 &rst
  ixpk= 3, nxpk= 10, iat=1534,1530, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   37 TRP  HN           69 MET  HN          5.00    (#      4:10  Unique         3.55, 3.91 A)
 &rst
  ixpk= 4, nxpk= 10, iat= 600,1114, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 MET  HA           69 MET  HN          4.00    (#      5:10  Unique         2.87, 2.90 A)
 &rst
  ixpk= 5, nxpk= 10, iat=1116,1114, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 SER  HA           69 MET  HN          4.00    (#      6:10  Unique         2.84, 3.19 A)
 &rst
  ixpk= 6, nxpk= 10, iat= 626,1114, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 HIS  HA           69 MET  HN          3.00    (#      7:10  Unique         2.19, 2.20 A)
 &rst
  ixpk= 7, nxpk= 10, iat=1099,1114, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:8       69 MET  HN          4.00    (#      8:10  Single Ambig)
 &rst
  ixpk= 8, nxpk= 10, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1121,1122,1101,1102,
 &end
#
#   68 HIS  HB+          69 MET  HN          5.00    (#      9:10  Unique         3.53, 4.19 A)
 &rst
  ixpk= 9, nxpk= 10, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1101,1102,
 &end
#
#   69 MET  HB+          69 MET  HN          3.00    (#     10:10  Unique         2.08, 2.70 A)
 &rst
  ixpk= 10, nxpk= 10, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1118,1119,
 &end
#
#   32 THR  HA           33 LEU  HN          3.00    (#     11:10  Unique         2.16, 2.25 A)
 &rst
  ixpk= 11, nxpk= 10, iat= 513, 525, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   33 LEU  HB+          33 LEU  HN          4.00    (#     12:10  Unique         2.41, 2.87 A)
 &rst
  ixpk= 12, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 529, 530,
 &end
#
#   33 LEU  HB-          33 LEU  HN          4.00    (#     13:10  Unique         2.41, 2.87 A)
 &rst
  ixpk= 13, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 529, 530,
 &end
#
#   32 THR  MG2          33 LEU  HN          3.00    (#     14:10  Unique         2.08, 3.26 A)
 &rst
  ixpk= 14, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 517, 518, 519,
 &end
#
#   33 LEU  HA           33 LEU  HN          5.00    (#     15:10  Unique         2.91, 2.93 A)
 &rst
  ixpk= 15, nxpk= 10, iat= 527, 525, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 VAL  HA           33 LEU  HN          5.00    (#     16:10  Unique         3.04, 3.27 A)
 &rst
  ixpk= 16, nxpk= 10, iat=1041, 525, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:17      33 LEU  HN          5.00    (#     17:10  Single Ambig)
 &rst
  ixpk= 17, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 534, 535, 536, 538, 539, 540,1010,1011,
 &end
#
#   64 VAL  MGX          33 LEU  HN          5.00    (#     18:10  Unique         4.35, 5.85 A)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1045,1046,1047,1049,1050,1051,
 &end
#
#   62 LEU  MDX          33 LEU  HN          4.00    (#     19:10  Unique         1.95, 4.20 A)
 &rst
  ixpk= 19, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1015,1016,1017,1019,1020,1021,
 &end
#
#   16 TRP  HD1          16 TRP  HE1         3.00    (#     22:10  Unique         2.64, 2.64 A)
 &rst
  ixpk= 22, nxpk= 10, iat= 258, 260, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   32 THR  HN          117 PHE  HN          5.00    (#     25:10  Unique         2.65, 3.07 A)
 &rst
  ixpk= 25, nxpk= 10, iat= 511,1846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 LEU  HA          117 PHE  HN          6.00    (#     26:10  Unique         3.06, 3.31 A)
 &rst
  ixpk= 26, nxpk= 10, iat= 527,1846, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  116 VAL  HA          117 PHE  HN          3.00    (#     27:10  Unique         2.18, 2.21 A)
 &rst
  ixpk= 27, nxpk= 10, iat=1832,1846, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  117 PHE  HB-         117 PHE  HN          4.00    (#     28:10  Unique         2.24, 3.12 A)
 &rst
  ixpk= 28, nxpk= 10, iat=  -1,1846, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1850,1851,
 &end
#
#  117 PHE  HB+         117 PHE  HN          5.00    (#     29:10  Unique         2.24, 3.12 A)
 &rst
  ixpk= 29, nxpk= 10, iat=  -1,1846, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1850,1851,
 &end
#
#  116 VAL  MGY         117 PHE  HN          3.00    (#     30:10  Unique         2.34, 4.31 A)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1,1846, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1836,1837,1838,1840,1841,1842,
 &end
#
#  117 PHE  HD          117 PHE  HN          3.00    (#     31:10  Unique         1.94, 3.67 A)
 &rst
  ixpk= 31, nxpk= 10, iat=  -1,1846, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1854,1862,
 &end
#
#  117 PHE  HA          117 PHE  HN          5.00    (#     32:10  Unique         2.92, 2.93 A)
 &rst
  ixpk= 32, nxpk= 10, iat=1848,1846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 VAL  HB           66 ALA  HN          5.00    (#     33:10  Unique         2.82, 3.20 A)
 &rst
  ixpk= 33, nxpk= 10, iat=1059,1071, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 ILE  HA           66 ALA  HN          5.00    (#     34:10  Unique         2.26, 2.52 A)
 &rst
  ixpk= 34, nxpk= 10, iat=1493,1071, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:35      66 ALA  HN          3.00    (#     35:10  Single Ambig)
 &rst
  ixpk= 35, nxpk= 10, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1057,1073,
 &end
#
#   66 ALA  MB           66 ALA  HN          3.00    (#     36:10  Unique         2.22, 3.13 A)
 &rst
  ixpk= 36, nxpk= 10, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1075,1076,1077,
 &end
#
#   65 VAL  MGY          66 ALA  HN          4.00    (#     37:10  Unique         2.05, 4.67 A)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1061,1062,1063,1065,1066,1067,
 &end
#
#  147 THR  HA          148 GLU  HN          3.00    (#     44:10  Unique         2.33, 2.37 A)
 &rst
  ixpk= 44, nxpk= 10, iat=2329,2341, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   31 PRO  HD+         148 GLU  HN          6.00    (#     45:10  Unique         5.23, 7.19 A)
 &rst
  ixpk= 45, nxpk= 10, iat=  -1,2341, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 498, 499,
 &end
#
#  148 GLU  HA          148 GLU  HN          3.00    (#     46:10  Unique         2.17, 2.34 A)
 &rst
  ixpk= 46, nxpk= 10, iat=2343,2341, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  148 GLU  HB-         148 GLU  HN          3.00    (#     48:10  Unique         3.18, 3.61 A)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1,2341, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2345,2346,
 &end
#
#  148 GLU  HB+         148 GLU  HN          3.00    (#     49:10  Unique         3.18, 3.61 A)
 &rst
  ixpk= 49, nxpk= 10, iat=  -1,2341, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2345,2346,
 &end
#
#  147 THR  MG2         148 GLU  HN          3.00    (#     50:10  Unique         2.07, 4.23 A)
 &rst
  ixpk= 50, nxpk= 10, iat=  -1,2341, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2333,2334,2335,
 &end
#
#    0 AMB  10-2:53      34 ILE  HN          3.00    (#     53:10  Single Ambig)
 &rst
  ixpk= 53, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 527, 546,
 &end
#
#    0 AMB  10-2:54      34 ILE  HN          5.00    (#     54:10  Single Ambig)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1832,1811,
 &end
#
#   34 ILE  HB           34 ILE  HN          4.00    (#     55:10  Unique         2.49, 2.80 A)
 &rst
  ixpk= 55, nxpk= 10, iat= 548, 544, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 LEU  HG           34 ILE  HN          5.00    (#     56:10  Unique         2.93, 4.17 A)
 &rst
  ixpk= 56, nxpk= 10, iat= 532, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 LEU  MDY          34 ILE  HN          3.00    (#     57:10  Unique         1.93, 4.37 A)
 &rst
  ixpk= 57, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  MDX          34 ILE  HN          5.00    (#     58:10  Unique         1.93, 4.37 A)
 &rst
  ixpk= 58, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#   34 ILE  QD1          34 ILE  HN          4.00    (#     59:10  Unique         2.47, 4.27 A)
 &rst
  ixpk= 59, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 557, 558, 559,
 &end
#
#    0 AMB  10-2:60      34 ILE  HN          5.00    (#     60:10  Single Ambig)
 &rst
  ixpk= 60, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 550, 551, 552,1947,1948,1949,1951,1952,1953,
 &end
#
#   34 ILE  HG1+         34 ILE  HN          5.00    (#     61:10  Unique         1.93, 2.95 A)
 &rst
  ixpk= 61, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 554, 555,
 &end
#
#   18 ASN  HD2+         92 GLN  HN          6.00    (#     79:10  Unique         3.52, 4.41 A)
 &rst
  ixpk= 79, nxpk= 10, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 302, 303,
 &end
#
#   91 THR  HN           92 GLN  HN          3.00    (#     80:10  Unique         1.87, 2.09 A)
 &rst
  ixpk= 80, nxpk= 10, iat=1446,1460, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 GLN  HA           92 GLN  HN          4.00    (#     81:10  Unique         2.63, 2.69 A)
 &rst
  ixpk= 81, nxpk= 10, iat=1462,1460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 THR  HA           92 GLN  HN          4.00    (#     82:10  Unique         3.55, 3.62 A)
 &rst
  ixpk= 82, nxpk= 10, iat=1448,1460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:83      92 GLN  HN          4.00    (#     83:10  Single Ambig)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1478,1479,1478,1479,
 &end
#
#    0 AMB  10-2:84      92 GLN  HN          4.00    (#     84:10  Single Ambig)
 &rst
  ixpk= 84, nxpk= 10, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1429, 883,
 &end
#
#    0 AMB  10-2:85      92 GLN  HN          5.00    (#     85:10  Single Ambig)
 &rst
  ixpk= 85, nxpk= 10, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1464,1465, 885, 886,
 &end
#
#   92 GLN  HG-          92 GLN  HN          5.00    (#     86:10  Unique         1.59, 2.92 A)
 &rst
  ixpk= 86, nxpk= 10, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1467,1468,
 &end
#
#   92 GLN  HG+          92 GLN  HN          4.00    (#     87:10  Unique         1.59, 2.92 A)
 &rst
  ixpk= 87, nxpk= 10, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1467,1468,
 &end
#
#   92 GLN  HB-          92 GLN  HN          4.00    (#     88:10  Unique         2.09, 3.00 A)
 &rst
  ixpk= 88, nxpk= 10, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1464,1465,
 &end
#
#    0 AMB  10-2:89      92 GLN  HN          5.00    (#     89:10  Single Ambig)
 &rst
  ixpk= 89, nxpk= 10, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1452,1453,1454,1045,1046,1047,1049,1050,1051,
 &end
#
#   90 ILE  QG2          92 GLN  HN          4.00    (#     90:10  Unique         3.63, 5.73 A)
 &rst
  ixpk= 90, nxpk= 10, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1433,1434,1435,
 &end
#
#  126 PHE  HA          126 PHE  HN          4.00    (#     92:10  Unique         2.78, 2.88 A)
 &rst
  ixpk= 92, nxpk= 10, iat=2000,1998, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  125 HIS  HB-         126 PHE  HN          5.00    (#     94:10  Unique         2.42, 3.77 A)
 &rst
  ixpk= 94, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1985,1986,
 &end
#
#  126 PHE  HB-         126 PHE  HN          4.00    (#     95:10  Unique         2.43, 3.27 A)
 &rst
  ixpk= 95, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2002,2003,
 &end
#
#  126 PHE  HB+         126 PHE  HN          4.00    (#     96:10  Unique         2.43, 3.27 A)
 &rst
  ixpk= 96, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2002,2003,
 &end
#
#    3 LEU  MDY         126 PHE  HN          4.00    (#     97:10  Unique         2.30, 5.17 A)
 &rst
  ixpk= 97, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#   64 VAL  HA           65 VAL  HN          3.00    (#     98:10  Unique         2.18, 2.19 A)
 &rst
  ixpk= 98, nxpk= 10, iat=1041,1055, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   65 VAL  HA           65 VAL  HN          5.00    (#     99:10  Unique         2.89, 2.92 A)
 &rst
  ixpk= 99, nxpk= 10, iat=1057,1055, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 ILE  HA           65 VAL  HN          4.00    (#    100:10  Unique         2.80, 3.07 A)
 &rst
  ixpk= 100, nxpk= 10, iat= 546,1055, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:101     65 VAL  HN          4.00    (#    101:10  Single Ambig)
 &rst
  ixpk= 101, nxpk= 10, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1059, 554, 555,
 &end
#
#    0 AMB  10-2:102     65 VAL  HN          3.00    (#    102:10  Single Ambig)
 &rst
  ixpk= 102, nxpk= 10, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1045,1046,1047,1049,1050,1051, 554, 555,
 &end
#
#   64 VAL  MGX          65 VAL  HN          4.00    (#    103:10  Unique         2.63, 4.52 A)
 &rst
  ixpk= 103, nxpk= 10, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1045,1046,1047,1049,1050,1051,
 &end
#
#    0 AMB  10-2:104     65 VAL  HN          3.00    (#    104:10  Single Ambig)
 &rst
  ixpk= 104, nxpk= 10, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1061,1062,1063,1065,1066,1067, 534, 535, 536, 538,
       539, 540,
 &end
#
#  117 PHE  HA          124 ARG  HN          4.00    (#    105:10  Unique         2.10, 2.45 A)
 &rst
  ixpk= 105, nxpk= 10, iat=1848,1957, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  125 HIS  HN          124 ARG  HN          4.00    (#    107:10  Unique         1.96, 2.34 A)
 &rst
  ixpk= 107, nxpk= 10, iat=1981,1957, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  123 LEU  HA          124 ARG  HN          4.00    (#    108:10  Unique         2.18, 2.19 A)
 &rst
  ixpk= 108, nxpk= 10, iat=1940,1957, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  124 ARG  HB+         124 ARG  HN          5.00    (#    109:10  Unique         2.06, 2.84 A)
 &rst
  ixpk= 109, nxpk= 10, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1961,1962,
 &end
#
#  123 LEU  MDY         124 ARG  HN          4.00    (#    110:10  Unique         2.06, 4.76 A)
 &rst
  ixpk= 110, nxpk= 10, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1947,1948,1949,1951,1952,1953,
 &end
#
#  101 ALA  HN          102 LEU  HN          5.00    (#    115:10  Unique         2.68, 2.80 A)
 &rst
  ixpk= 115, nxpk= 10, iat=1598,1608, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:116    102 LEU  HN          4.00    (#    116:10  Single Ambig)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1610,1583,
 &end
#
#  101 ALA  MB          102 LEU  HN          4.00    (#    117:10  Unique         2.81, 3.71 A)
 &rst
  ixpk= 117, nxpk= 10, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1602,1603,1604,
 &end
#
#  102 LEU  HB-         102 LEU  HN          4.00    (#    118:10  Unique         1.98, 2.81 A)
 &rst
  ixpk= 118, nxpk= 10, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1612,1613,
 &end
#
#  102 LEU  HB+         102 LEU  HN          4.00    (#    119:10  Unique         1.98, 2.81 A)
 &rst
  ixpk= 119, nxpk= 10, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1612,1613,
 &end
#
#  103 THR  HN          102 LEU  HN          4.00    (#    120:10  Unique         2.54, 2.69 A)
 &rst
  ixpk= 120, nxpk= 10, iat=1627,1608, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  108 ASN  HA          109 GLU  HN          4.00    (#    123:10  Unique         2.25, 2.54 A)
 &rst
  ixpk= 123, nxpk= 10, iat=1700,1712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:126     39 ILE  HN          3.00    (#    126:10  Single Ambig)
 &rst
  ixpk= 126, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 626, 637,
 &end
#
#   39 ILE  HG1+         39 ILE  HN          4.00    (#    127:10  Unique         2.37, 3.09 A)
 &rst
  ixpk= 127, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 645, 646,
 &end
#
#   39 ILE  HG1-         39 ILE  HN          4.00    (#    128:10  Unique         2.37, 3.09 A)
 &rst
  ixpk= 128, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 645, 646,
 &end
#
#   39 ILE  QG2          39 ILE  HN          4.00    (#    129:10  Unique         1.94, 2.70 A)
 &rst
  ixpk= 129, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 641, 642, 643,
 &end
#
#    0 AMB  10-2:130     39 ILE  HN          5.00    (#    130:10  Single Ambig)
 &rst
  ixpk= 130, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 648, 649, 650,1754,1755,1756,1758,1759,1760,
 &end
#
#   67 VAL  MGY          68 HIS  HN          6.00    (#    131:10  Unique         1.91, 4.31 A)
 &rst
  ixpk= 131, nxpk= 10, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1087,1088,1089,1091,1092,1093,
 &end
#
#   67 VAL  HA           68 HIS  HN          3.00    (#    132:10  Unique         2.18, 2.24 A)
 &rst
  ixpk= 132, nxpk= 10, iat=1083,1097, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  106 PHE  HN          105 ALA  HN          3.00    (#    134:10  Unique         2.08, 2.26 A)
 &rst
  ixpk= 134, nxpk= 10, iat=1663,1653, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  104 ASP  HN          105 ALA  HN          3.00    (#    135:10  Unique         2.31, 2.58 A)
 &rst
  ixpk= 135, nxpk= 10, iat=1641,1653, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  106 PHE  HD          105 ALA  HN          5.00    (#    136:10  Unique         2.87, 5.61 A)
 &rst
  ixpk= 136, nxpk= 10, iat=  -1,1653, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1671,1679,
 &end
#
#  104 ASP  HA          105 ALA  HN          4.00    (#    137:10  Unique         3.40, 3.43 A)
 &rst
  ixpk= 137, nxpk= 10, iat=1643,1653, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  102 LEU  HA          105 ALA  HN          4.00    (#    138:10  Unique         3.12, 3.38 A)
 &rst
  ixpk= 138, nxpk= 10, iat=1610,1653, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  105 ALA  HA          105 ALA  HN          3.00    (#    139:10  Unique         2.92, 2.93 A)
 &rst
  ixpk= 139, nxpk= 10, iat=1655,1653, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:140    105 ALA  HN          3.00    (#    140:10  Single Ambig)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1,1653, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1645,1646,1667,1668,
 &end
#
#    0 AMB  10-2:141    105 ALA  HN          3.00    (#    141:10  Single Ambig)
 &rst
  ixpk= 141, nxpk= 10, iat=  -1,1653, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1645,1646,1667,1668,
 &end
#
#  105 ALA  MB          105 ALA  HN          3.00    (#    142:10  Unique         2.17, 2.99 A)
 &rst
  ixpk= 142, nxpk= 10, iat=  -1,1653, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1657,1658,1659,
 &end
#
#  102 LEU  MDX         105 ALA  HN          6.00    (#    144:10  Unique         4.92, 6.75 A)
 &rst
  ixpk= 144, nxpk= 10, iat=  -1,1653, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#    9 GLU  HA           10 LEU  HN          3.00    (#    147:10  Unique         2.22, 2.40 A)
 &rst
  ixpk= 147, nxpk= 10, iat= 150, 163, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    9 GLU  HB-          10 LEU  HN          5.00    (#    148:10  Unique         3.83, 4.42 A)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 152, 153,
 &end
#
#    9 GLU  HB+          10 LEU  HN          4.00    (#    149:10  Unique         3.83, 4.42 A)
 &rst
  ixpk= 149, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 152, 153,
 &end
#
#   10 LEU  HG           10 LEU  HN          4.00    (#    150:10  Unique         2.15, 3.59 A)
 &rst
  ixpk= 150, nxpk= 10, iat= 170, 163, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   10 LEU  HB-          10 LEU  HN          5.00    (#    151:10  Unique         2.12, 2.91 A)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 167, 168,
 &end
#
#   34 ILE  HA           35 HIS  HN          3.00    (#    154:10  Unique         2.18, 2.20 A)
 &rst
  ixpk= 154, nxpk= 10, iat= 546, 563, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   34 ILE  QG2          35 HIS  HN          4.00    (#    155:10  Unique         2.22, 3.67 A)
 &rst
  ixpk= 155, nxpk= 10, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 550, 551, 552,
 &end
#
#   35 HIS  HD2          35 HIS  HN          3.00    (#    156:10  Unique         1.74, 2.20 A)
 &rst
  ixpk= 156, nxpk= 10, iat= 576, 563, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   66 ALA  HA           35 HIS  HN          4.00    (#    157:10  Unique         2.13, 2.43 A)
 &rst
  ixpk= 157, nxpk= 10, iat=1073, 563, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:160     35 HIS  HN          4.00    (#    160:10  Single Ambig)
 &rst
  ixpk= 160, nxpk= 10, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 554, 555,1045,1046,1047,1049,1050,1051,2140,
 &end
#
#    6 PRO  HA          123 LEU  HN          4.00    (#    161:10  Unique         2.60, 3.05 A)
 &rst
  ixpk= 161, nxpk= 10, iat= 113,1938, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  122 GLN  HA          123 LEU  HN          3.00    (#    162:10  Unique         2.20, 2.25 A)
 &rst
  ixpk= 162, nxpk= 10, iat=1923,1938, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  123 LEU  HA          123 LEU  HN          3.00    (#    163:10  Unique         2.79, 2.83 A)
 &rst
  ixpk= 163, nxpk= 10, iat=1940,1938, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:164    123 LEU  HN          3.00    (#    164:10  Single Ambig)
 &rst
  ixpk= 164, nxpk= 10, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1925,1926,1928,1929,
 &end
#
#  117 PHE  HD          123 LEU  HN          5.00    (#    165:10  Unique         2.55, 4.96 A)
 &rst
  ixpk= 165, nxpk= 10, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1854,1862,
 &end
#
#  123 LEU  HB-         123 LEU  HN          3.00    (#    166:10  Unique         2.31, 2.46 A)
 &rst
  ixpk= 166, nxpk= 10, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1942,1943,
 &end
#
#  122 GLN  HB+         123 LEU  HN          4.00    (#    167:10  Unique         2.95, 3.85 A)
 &rst
  ixpk= 167, nxpk= 10, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1925,1926,
 &end
#
#  123 LEU  HB+         123 LEU  HN          3.00    (#    168:10  Unique         2.31, 2.46 A)
 &rst
  ixpk= 168, nxpk= 10, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1942,1943,
 &end
#
#    0 AMB  10-2:169    123 LEU  HN          5.00    (#    169:10  Single Ambig)
 &rst
  ixpk= 169, nxpk= 10, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1945, 124, 125,
 &end
#
#    0 AMB  10-2:170    123 LEU  HN          5.00    (#    170:10  Single Ambig)
 &rst
  ixpk= 170, nxpk= 10, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1947,1948,1949,1951,1952,1953,  52,  53,  54,  56,
        57,  58,
 &end
#
#  123 LEU  MDY         123 LEU  HN          6.00    (#    171:10  Unique         4.21, 5.10 A)
 &rst
  ixpk= 171, nxpk= 10, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1947,1948,1949,1951,1952,1953,
 &end
#
#  113 ALA  HN           36 PHE  HN          5.00    (#    172:10  Unique         2.21, 2.57 A)
 &rst
  ixpk= 172, nxpk= 10, iat=1778, 580, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HA           36 PHE  HN          3.00    (#    173:10  Unique         2.20, 2.23 A)
 &rst
  ixpk= 173, nxpk= 10, iat= 565, 580, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   36 PHE  HB+          36 PHE  HN          4.00    (#    174:10  Unique         1.96, 2.61 A)
 &rst
  ixpk= 174, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 584, 585,
 &end
#
#   35 HIS  HB+          36 PHE  HN          5.00    (#    175:10  Unique         3.12, 3.63 A)
 &rst
  ixpk= 175, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 567, 568,
 &end
#
#   36 PHE  HB-          36 PHE  HN          4.00    (#    176:10  Unique         1.96, 2.61 A)
 &rst
  ixpk= 176, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 584, 585,
 &end
#
#   36 PHE  HD           36 PHE  HN          3.00    (#    177:10  Unique         1.98, 4.12 A)
 &rst
  ixpk= 177, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 588, 596,
 &end
#
#   33 LEU  HN           63 ASN  HN          6.00    (#    178:10  Unique         3.18, 3.85 A)
 &rst
  ixpk= 178, nxpk= 10, iat= 525,1025, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:179     63 ASN  HN          4.00    (#    179:10  Single Ambig)
 &rst
  ixpk= 179, nxpk= 10, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1010,1011, 479, 480, 501, 502,
 &end
#
#   62 LEU  MDY          63 ASN  HN          5.00    (#    180:10  Unique         1.96, 4.03 A)
 &rst
  ixpk= 180, nxpk= 10, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1015,1016,1017,1019,1020,1021,
 &end
#
#   32 THR  HA           63 ASN  HN          3.00    (#    181:10  Unique         2.24, 2.62 A)
 &rst
  ixpk= 181, nxpk= 10, iat= 513,1025, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN  HA           63 ASN  HN          4.00    (#    182:10  Unique         2.75, 2.82 A)
 &rst
  ixpk= 182, nxpk= 10, iat=1027,1025, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   62 LEU  HA           63 ASN  HN          3.00    (#    183:10  Unique         2.18, 2.25 A)
 &rst
  ixpk= 183, nxpk= 10, iat=1008,1025, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN  HB-          63 ASN  HN          4.00    (#    184:10  Unique         2.34, 3.06 A)
 &rst
  ixpk= 184, nxpk= 10, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1029,1030,
 &end
#
#   63 ASN  HB+          63 ASN  HN          4.00    (#    185:10  Unique         2.34, 3.06 A)
 &rst
  ixpk= 185, nxpk= 10, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1029,1030,
 &end
#
#   62 LEU  HG           63 ASN  HN          5.00    (#    186:10  Unique         1.98, 3.84 A)
 &rst
  ixpk= 186, nxpk= 10, iat=1013,1025, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LEU  MDX          63 ASN  HN          3.00    (#    187:10  Unique         1.96, 4.03 A)
 &rst
  ixpk= 187, nxpk= 10, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1015,1016,1017,1019,1020,1021,
 &end
#
#    0 AMB  10-2:188     85 ALA  HN          5.00    (#    188:10  Single Ambig)
 &rst
  ixpk= 188, nxpk= 10, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1322,1323,1281,1282,1431,
 &end
#
#   84 THR  HN           85 ALA  HN          3.00    (#    189:10  Unique         2.57, 2.79 A)
 &rst
  ixpk= 189, nxpk= 10, iat=1349,1363, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 ALA  HN           85 ALA  HN          3.00    (#    190:10  Unique         2.31, 2.58 A)
 &rst
  ixpk= 190, nxpk= 10, iat=1373,1363, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 THR  HB           85 ALA  HN          3.00    (#    193:10  Unique         2.48, 2.81 A)
 &rst
  ixpk= 193, nxpk= 10, iat=1353,1363, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 THR  HA           85 ALA  HN          4.00    (#    194:10  Unique         3.56, 3.61 A)
 &rst
  ixpk= 194, nxpk= 10, iat=1351,1363, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:195     85 ALA  HN          3.00    (#    195:10  Single Ambig)
 &rst
  ixpk= 195, nxpk= 10, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1365,1314,
 &end
#
#   85 ALA  MB           85 ALA  HN          3.00    (#    196:10  Unique         1.98, 2.81 A)
 &rst
  ixpk= 196, nxpk= 10, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1367,1368,1369,
 &end
#
#   64 VAL  HA           64 VAL  HN          4.00    (#    201:10  Unique         2.87, 2.92 A)
 &rst
  ixpk= 201, nxpk= 10, iat=1041,1039, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   63 ASN  HA           64 VAL  HN          3.00    (#    202:10  Unique         2.25, 2.28 A)
 &rst
  ixpk= 202, nxpk= 10, iat=1027,1039, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN  HB-          64 VAL  HN          5.00    (#    203:10  Unique         3.06, 3.90 A)
 &rst
  ixpk= 203, nxpk= 10, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1029,1030,
 &end
#
#    0 AMB  10-2:204     64 VAL  HN          4.00    (#    204:10  Single Ambig)
 &rst
  ixpk= 204, nxpk= 10, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1029,1030, 967, 968,
 &end
#
#   64 VAL  HB           64 VAL  HN          3.00    (#    205:10  Unique         2.27, 2.54 A)
 &rst
  ixpk= 205, nxpk= 10, iat=1043,1039, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   64 VAL  MGY          64 VAL  HN          4.00    (#    206:10  Unique         2.05, 3.91 A)
 &rst
  ixpk= 206, nxpk= 10, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1045,1046,1047,1049,1050,1051,
 &end
#
#   64 VAL  MGX          64 VAL  HN          3.00    (#    207:10  Unique         2.05, 3.91 A)
 &rst
  ixpk= 207, nxpk= 10, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1045,1046,1047,1049,1050,1051,
 &end
#
#    0 AMB  10-2:208     64 VAL  HN          6.00    (#    208:10  Single Ambig)
 &rst
  ixpk= 208, nxpk= 10, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1061,1062,1063,1065,1066,1067, 534, 535, 536, 538,
       539, 540,
 &end
#
#    0 AMB  10-2:209     64 VAL  HN          5.00    (#    209:10  Single Ambig)
 &rst
  ixpk= 209, nxpk= 10, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1015,1016,1017,1019,1020,1021, 424, 425, 426, 428,
       429, 430,
 &end
#
#  127 GLN  HA          128 ALA  HN          3.00    (#    211:10  Unique         2.23, 2.41 A)
 &rst
  ixpk= 211, nxpk= 10, iat=2020,2035, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  127 GLN  HB+         128 ALA  HN          3.00    (#    213:10  Unique         2.44, 3.67 A)
 &rst
  ixpk= 213, nxpk= 10, iat=  -1,2035, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2022,2023,
 &end
#
#  127 GLN  HB-         128 ALA  HN          4.00    (#    214:10  Unique         2.44, 3.67 A)
 &rst
  ixpk= 214, nxpk= 10, iat=  -1,2035, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2022,2023,
 &end
#
#  128 ALA  MB          128 ALA  HN          3.00    (#    215:10  Unique         2.28, 3.24 A)
 &rst
  ixpk= 215, nxpk= 10, iat=  -1,2035, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2039,2040,2041,
 &end
#
#   79 GLY  HN           80 LYS  HN          3.00    (#    216:10  Unique         2.13, 2.19 A)
 &rst
  ixpk= 216, nxpk= 10, iat=1264,1271, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   81 ILE  HN           80 LYS  HN          3.00    (#    217:10  Unique         2.06, 2.12 A)
 &rst
  ixpk= 217, nxpk= 10, iat=1293,1271, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   79 GLY  HA-          80 LYS  HN          3.00    (#    218:10  Unique         2.95, 3.31 A)
 &rst
  ixpk= 218, nxpk= 10, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1266,1267,
 &end
#
#   80 LYS  HB-          80 LYS  HN          3.00    (#    219:10  Unique         2.24, 3.09 A)
 &rst
  ixpk= 219, nxpk= 10, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1275,1276,
 &end
#
#   80 LYS  HG+          80 LYS  HN          4.00    (#    220:10  Unique         1.87, 3.18 A)
 &rst
  ixpk= 220, nxpk= 10, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1278,1279,
 &end
#
#   80 LYS  HA           80 LYS  HN          3.00    (#    222:10  Unique         2.92, 2.92 A)
 &rst
  ixpk= 222, nxpk= 10, iat=1273,1271, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   79 GLY  HA+          80 LYS  HN          3.00    (#    223:10  Unique         2.95, 3.31 A)
 &rst
  ixpk= 223, nxpk= 10, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1266,1267,
 &end
#
#   77 ASP  HB+          80 LYS  HN          4.00    (#    224:10  Unique         2.12, 3.37 A)
 &rst
  ixpk= 224, nxpk= 10, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1242,1243,
 &end
#
#   80 LYS  HD-          80 LYS  HN          5.00    (#    226:10  Unique         1.86, 4.01 A)
 &rst
  ixpk= 226, nxpk= 10, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1281,1282,
 &end
#
#   80 LYS  HG-          80 LYS  HN          4.00    (#    228:10  Unique         1.87, 3.18 A)
 &rst
  ixpk= 228, nxpk= 10, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1278,1279,
 &end
#
#    0 AMB  10-2:234      0 AMB  10-1:234    4.00    (#    234:10  Double Ambig)
 &rst
  ixpk= 234, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 907, 760,
 igr2= 917,2070,
 &end
#
#    0 AMB  10-2:235      0 AMB  10-1:235    4.00    (#    235:10  Double Ambig)
 &rst
  ixpk= 235, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 863,2079,
 igr2= 917,2070,
 &end
#
#    0 AMB  10-2:236    132 GLY  HN          5.00    (#    236:10  Single Ambig)
 &rst
  ixpk= 236, nxpk= 10, iat=  -1,2070, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2063,2064,2072,2073,2054,2055,
 &end
#
#    0 AMB  10-2:237      0 AMB  10-1:237    3.00    (#    237:10  Double Ambig)
 &rst
  ixpk= 237, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=2072,2073, 919,2054,2055,
 igr2=2070, 917,
 &end
#
#    0 AMB  10-2:238     57 LYS  HN          3.00    (#    238:10  Single Ambig)
 &rst
  ixpk= 238, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 909, 910, 943, 944,
 &end
#
#    0 AMB  10-2:239     57 LYS  HN          3.00    (#    239:10  Single Ambig)
 &rst
  ixpk= 239, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 909, 910, 885, 886,
 &end
#
#   57 LYS  HB-          57 LYS  HN          3.00    (#    240:10  Unique         2.17, 2.68 A)
 &rst
  ixpk= 240, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 921, 922,
 &end
#
#   57 LYS  HB+          57 LYS  HN          3.00    (#    241:10  Unique         2.17, 2.68 A)
 &rst
  ixpk= 241, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 921, 922,
 &end
#
#    0 AMB  10-2:242      0 AMB  10-1:242    5.00    (#    242:10  Double Ambig)
 &rst
  ixpk= 242, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 924, 925, 701, 702, 703, 705, 706, 707,
 igr2= 917,2070,
 &end
#
#   57 LYS  HG+          57 LYS  HN          5.00    (#    243:10  Unique         2.42, 4.01 A)
 &rst
  ixpk= 243, nxpk= 10, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 924, 925,
 &end
#
#    0 AMB  10-2:244     17 LEU  HN          5.00    (#    244:10  Single Ambig)
 &rst
  ixpk= 244, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 283, 284, 285, 287, 288, 289,1536,1537,1538,1540,
      1541,1542,
 &end
#
#   82 LYS  HN           81 ILE  HN          4.00    (#    245:10  Unique         2.68, 2.88 A)
 &rst
  ixpk= 245, nxpk= 10, iat=1312,1293, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 LYS  HN           81 ILE  HN          3.00    (#    246:10  Unique         2.06, 2.12 A)
 &rst
  ixpk= 246, nxpk= 10, iat=1271,1293, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   80 LYS  HA           81 ILE  HN          5.00    (#    247:10  Unique         3.55, 3.59 A)
 &rst
  ixpk= 247, nxpk= 10, iat=1273,1293, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 ILE  QD1          81 ILE  HN          3.00    (#    248:10  Unique         2.22, 3.81 A)
 &rst
  ixpk= 248, nxpk= 10, iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1306,1307,1308,
 &end
#
#   78 PRO  HA           81 ILE  HN          4.00    (#    249:10  Unique         3.03, 3.33 A)
 &rst
  ixpk= 249, nxpk= 10, iat=1260,1293, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 ILE  HA           81 ILE  HN          4.00    (#    250:10  Unique         2.65, 2.77 A)
 &rst
  ixpk= 250, nxpk= 10, iat=1295,1293, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 LYS  HB-          81 ILE  HN          4.00    (#    251:10  Unique         3.30, 3.93 A)
 &rst
  ixpk= 251, nxpk= 10, iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1275,1276,
 &end
#
#   81 ILE  HG1+         81 ILE  HN          3.00    (#    252:10  Unique         1.90, 2.83 A)
 &rst
  ixpk= 252, nxpk= 10, iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1303,1304,
 &end
#
#   39 ILE  QD1          81 ILE  HN          5.00    (#    253:10  Unique         3.30, 4.50 A)
 &rst
  ixpk= 253, nxpk= 10, iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 648, 649, 650,
 &end
#
#   81 ILE  HG1-         81 ILE  HN          4.00    (#    254:10  Unique         1.90, 2.83 A)
 &rst
  ixpk= 254, nxpk= 10, iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1303,1304,
 &end
#
#   52 ASN  HN           51 VAL  HN          3.00    (#    255:10  Unique         2.64, 2.80 A)
 &rst
  ixpk= 255, nxpk= 10, iat= 832, 816, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   50 GLN  HN           51 VAL  HN          3.00    (#    256:10  Unique         2.18, 2.39 A)
 &rst
  ixpk= 256, nxpk= 10, iat= 799, 816, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   51 VAL  HA           51 VAL  HN          3.00    (#    257:10  Unique         2.64, 2.72 A)
 &rst
  ixpk= 257, nxpk= 10, iat= 818, 816, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   51 VAL  MGX          51 VAL  HN          4.00    (#    258:10  Unique         1.90, 3.78 A)
 &rst
  ixpk= 258, nxpk= 10, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   16 TRP  HA           17 LEU  HN          3.00    (#    261:10  Unique         2.21, 2.24 A)
 &rst
  ixpk= 261, nxpk= 10, iat= 252, 274, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   17 LEU  HA           17 LEU  HN          6.00    (#    262:10  Unique         2.83, 2.90 A)
 &rst
  ixpk= 262, nxpk= 10, iat= 276, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 TRP  HB-          17 LEU  HN          5.00    (#    263:10  Unique         2.90, 4.06 A)
 &rst
  ixpk= 263, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 254, 255,
 &end
#
#    0 AMB  10-2:264     17 LEU  HN          4.00    (#    264:10  Single Ambig)
 &rst
  ixpk= 264, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 278, 279, 281,
 &end
#
#   17 LEU  MDY          17 LEU  HN          4.00    (#    265:10  Unique         1.96, 4.21 A)
 &rst
  ixpk= 265, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#    0 AMB  10-2:266     17 LEU  HN          4.00    (#    266:10  Single Ambig)
 &rst
  ixpk= 266, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 269, 263,
 &end
#
#    2 LYS  HA            2 LYS  HN          3.00    (#    269:10  Unique         2.91, 2.93 A)
 &rst
  ixpk= 269, nxpk= 10, iat=  23,  21, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    1 MET  HA            2 LYS  HN          3.00    (#    270:10  Unique         2.20, 2.30 A)
 &rst
  ixpk= 270, nxpk= 10, iat=   6,  21, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    5 GLN  HG+           2 LYS  HN          3.00    (#    271:10  Unique         1.89, 2.73 A)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  93,  94,
 &end
#
#    0 AMB  10-2:272      2 LYS  HN          4.00    (#    272:10  Single Ambig)
 &rst
  ixpk= 272, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  90,  91,  66,  67,
 &end
#
#    1 MET  HB+           2 LYS  HN          4.00    (#    273:10  Unique         2.56, 3.70 A)
 &rst
  ixpk= 273, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=   8,   9,
 &end
#
#    2 LYS  HB-           2 LYS  HN          3.00    (#    274:10  Unique         2.50, 3.41 A)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  25,  26,
 &end
#
#    2 LYS  HG-           2 LYS  HN          3.00    (#    275:10  Unique         1.92, 2.92 A)
 &rst
  ixpk= 275, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  28,  29,
 &end
#
#    0 AMB  10-2:277     81 ILE  HN          3.00    (#    277:10  Single Ambig)
 &rst
  ixpk= 277, nxpk= 10, iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1278,1279,1297,
 &end
#
#   81 ILE  QG2          81 ILE  HN          4.00    (#    278:10  Unique         4.21, 4.46 A)
 &rst
  ixpk= 278, nxpk= 10, iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1299,1300,1301,
 &end
#
#   48 MET  HA           51 VAL  HN          4.00    (#    279:10  Unique         3.34, 3.71 A)
 &rst
  ixpk= 279, nxpk= 10, iat= 770, 816, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   50 GLN  HA           51 VAL  HN          5.00    (#    280:10  Unique         3.61, 3.64 A)
 &rst
  ixpk= 280, nxpk= 10, iat= 801, 816, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   50 GLN  HB-          51 VAL  HN          3.00    (#    281:10  Unique         2.11, 2.82 A)
 &rst
  ixpk= 281, nxpk= 10, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 803, 804,
 &end
#
#   51 VAL  HB           51 VAL  HN          3.00    (#    282:10  Unique         2.00, 2.29 A)
 &rst
  ixpk= 282, nxpk= 10, iat= 820, 816, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   50 GLN  HB+          51 VAL  HN          4.00    (#    283:10  Unique         2.11, 2.82 A)
 &rst
  ixpk= 283, nxpk= 10, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 803, 804,
 &end
#
#   51 VAL  MGY          51 VAL  HN          3.00    (#    284:10  Unique         1.90, 3.78 A)
 &rst
  ixpk= 284, nxpk= 10, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   29 GLU  HN           30 LYS  HN          3.00    (#    285:10  Unique         1.70, 2.08 A)
 &rst
  ixpk= 285, nxpk= 10, iat= 460, 475, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   30 LYS  HA           30 LYS  HN          4.00    (#    286:10  Unique         2.93, 2.93 A)
 &rst
  ixpk= 286, nxpk= 10, iat= 477, 475, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:288     30 LYS  HN          4.00    (#    288:10  Single Ambig)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 462, 455, 456,
 &end
#
#   29 GLU  HB+          30 LYS  HN          4.00    (#    289:10  Unique         2.09, 3.44 A)
 &rst
  ixpk= 289, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 464, 465,
 &end
#
#   29 GLU  HB-          30 LYS  HN          3.00    (#    290:10  Unique         2.09, 3.44 A)
 &rst
  ixpk= 290, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 464, 465,
 &end
#
#    0 AMB  10-2:291     30 LYS  HN          3.00    (#    291:10  Single Ambig)
 &rst
  ixpk= 291, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 479, 480,1882,1883,
 &end
#
#    0 AMB  10-2:292     30 LYS  HN          3.00    (#    292:10  Single Ambig)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 482, 483,1882,1883,
 &end
#
#   22 THR  HB           23 ARG  HN          3.00    (#    294:10  Unique         1.94, 2.61 A)
 &rst
  ixpk= 294, nxpk= 10, iat= 349, 359, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   23 ARG  HA           23 ARG  HN          4.00    (#    295:10  Unique         2.66, 2.74 A)
 &rst
  ixpk= 295, nxpk= 10, iat= 361, 359, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   23 ARG  HB+          23 ARG  HN          3.00    (#    296:10  Unique         2.28, 3.05 A)
 &rst
  ixpk= 296, nxpk= 10, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 363, 364,
 &end
#
#   24 GLU  HN           23 ARG  HN          5.00    (#    297:10  Unique         2.40, 2.69 A)
 &rst
  ixpk= 297, nxpk= 10, iat= 383, 359, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 HIS  HN          116 VAL  HN          5.00    (#    300:10  Unique         3.10, 3.34 A)
 &rst
  ixpk= 300, nxpk= 10, iat=1981,1830, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:301    116 VAL  HN          5.00    (#    301:10  Single Ambig)
 &rst
  ixpk= 301, nxpk= 10, iat=  -1,1830, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1856,1860,1817,1826,1998,
 &end
#
#  126 PHE  HA          116 VAL  HN          4.00    (#    302:10  Unique         2.71, 2.90 A)
 &rst
  ixpk= 302, nxpk= 10, iat=2000,1830, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:303    116 VAL  HN          3.00    (#    303:10  Single Ambig)
 &rst
  ixpk= 303, nxpk= 10, iat=  -1,1830, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1811,1832,
 &end
#
#  116 VAL  HB          116 VAL  HN          3.00    (#    304:10  Unique         2.15, 2.57 A)
 &rst
  ixpk= 304, nxpk= 10, iat=1834,1830, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:305    116 VAL  HN          3.00    (#    305:10  Single Ambig)
 &rst
  ixpk= 305, nxpk= 10, iat=  -1,1830, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
      1841,1842,1947,1948,1949,1951,1952,1953,
 &end
#
#  123 LEU  MDY         116 VAL  HN          3.00    (#    306:10  Unique         2.37, 4.35 A)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1,1830, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1947,1948,1949,1951,1952,1953,
 &end
#
#    6 PRO  HA            7 MET  HN          3.00    (#    307:10  Unique         2.37, 2.78 A)
 &rst
  ixpk= 307, nxpk= 10, iat= 113, 117, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    7 MET  HA            7 MET  HN          5.00    (#    308:10  Unique         2.29, 2.53 A)
 &rst
  ixpk= 308, nxpk= 10, iat= 119, 117, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 PRO  HB+           7 MET  HN          5.00    (#    309:10  Unique         1.83, 2.59 A)
 &rst
  ixpk= 309, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 110, 111,
 &end
#
#    0 AMB  10-2:310      7 MET  HN          4.00    (#    310:10  Single Ambig)
 &rst
  ixpk= 310, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 110, 111, 121, 122,
 &end
#
#    7 MET  ME            7 MET  HN          4.00    (#    311:10  Unique         1.81, 3.27 A)
 &rst
  ixpk= 311, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 128, 129, 130,
 &end
#
#   37 TRP  HZ2          37 TRP  HE1         3.00    (#    314:10  Unique         2.85, 2.85 A)
 &rst
  ixpk= 314, nxpk= 10, iat= 613, 610, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   37 TRP  HD1          37 TRP  HE1         3.00    (#    315:10  Unique         2.64, 2.64 A)
 &rst
  ixpk= 315, nxpk= 10, iat= 608, 610, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   66 ALA  MB           37 TRP  HE1         3.00    (#    316:10  Unique         1.87, 3.37 A)
 &rst
  ixpk= 316, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1075,1076,1077,
 &end
#
#   94 ILE  QD1          37 TRP  HE1         5.00    (#    317:10  Unique         2.10, 6.13 A)
 &rst
  ixpk= 317, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1504,1505,1506,
 &end
#
#    0 AMB  10-2:318     37 TRP  HE1         3.00    (#    318:10  Single Ambig)
 &rst
  ixpk= 318, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 822, 823, 824, 826, 827, 828,1497,1498,1499,
 &end
#
#   94 ILE  HG1-         37 TRP  HE1         6.00    (#    319:10  Unique         2.39, 5.84 A)
 &rst
  ixpk= 319, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1501,1502,
 &end
#
#   60 ASP  HN           59 GLN  HN          5.00    (#    320:10  Unique         2.53, 3.46 A)
 &rst
  ixpk= 320, nxpk= 10, iat= 977, 960, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:321     59 GLN  HN          6.00    (#    321:10  Single Ambig)
 &rst
  ixpk= 321, nxpk= 10, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 989, 881,
 &end
#
#   58 TYR  HN           59 GLN  HN          3.00    (#    322:10  Unique         1.89, 2.49 A)
 &rst
  ixpk= 322, nxpk= 10, iat= 939, 960, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   54 PHE  HD           59 GLN  HN          6.00    (#    323:10  Unique         6.76, 8.50 A)
 &rst
  ixpk= 323, nxpk= 10, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 869, 877,
 &end
#
#   58 TYR  HA           59 GLN  HN          4.00    (#    324:10  Unique         2.84, 3.15 A)
 &rst
  ixpk= 324, nxpk= 10, iat= 941, 960, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 ASP  HA           59 GLN  HN          4.00    (#    325:10  Unique         3.06, 3.36 A)
 &rst
  ixpk= 325, nxpk= 10, iat= 907, 960, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLN  HA           59 GLN  HN          3.00    (#    326:10  Unique         2.70, 2.80 A)
 &rst
  ixpk= 326, nxpk= 10, iat= 962, 960, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:327     59 GLN  HN          4.00    (#    327:10  Single Ambig)
 &rst
  ixpk= 327, nxpk= 10, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 883, 919,
 &end
#
#   58 TYR  HB+          59 GLN  HN          4.00    (#    328:10  Unique         3.00, 4.07 A)
 &rst
  ixpk= 328, nxpk= 10, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 943, 944,
 &end
#
#   59 GLN  HG+          59 GLN  HN          3.00    (#    329:10  Unique         3.36, 4.36 A)
 &rst
  ixpk= 329, nxpk= 10, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 967, 968,
 &end
#
#   59 GLN  HB+          59 GLN  HN          3.00    (#    330:10  Unique         2.02, 2.59 A)
 &rst
  ixpk= 330, nxpk= 10, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 964, 965,
 &end
#
#   59 GLN  HB-          59 GLN  HN          3.00    (#    331:10  Unique         2.02, 2.59 A)
 &rst
  ixpk= 331, nxpk= 10, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 964, 965,
 &end
#
#   72 SER  HN           71 ARG  HN          3.00    (#    332:10  Unique         2.27, 2.64 A)
 &rst
  ixpk= 332, nxpk= 10, iat=1169,1145, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   70 PRO  HA           71 ARG  HN          3.00    (#    334:10  Unique         2.28, 2.53 A)
 &rst
  ixpk= 334, nxpk= 10, iat=1141,1145, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   75 ASP  HB+          71 ARG  HN          4.00    (#    335:10  Unique         2.07, 3.32 A)
 &rst
  ixpk= 335, nxpk= 10, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1211,1212,
 &end
#
#   75 ASP  HB-          71 ARG  HN          5.00    (#    336:10  Unique         2.07, 3.32 A)
 &rst
  ixpk= 336, nxpk= 10, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1211,1212,
 &end
#
#   71 ARG  HB-          71 ARG  HN          4.00    (#    337:10  Unique         2.03, 2.58 A)
 &rst
  ixpk= 337, nxpk= 10, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1149,1150,
 &end
#
#   71 ARG  HB+          71 ARG  HN          4.00    (#    338:10  Unique         2.03, 2.58 A)
 &rst
  ixpk= 338, nxpk= 10, iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1149,1150,
 &end
#
#   37 TRP  HD1          37 TRP  HN          3.00    (#    339:10  Unique         3.02, 3.36 A)
 &rst
  ixpk= 339, nxpk= 10, iat= 608, 600, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   36 PHE  HA           37 TRP  HN          3.00    (#    340:10  Unique         2.19, 2.20 A)
 &rst
  ixpk= 340, nxpk= 10, iat= 582, 600, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:341     37 TRP  HN          4.00    (#    341:10  Single Ambig)
 &rst
  ixpk= 341, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 604, 605,1099,
 &end
#
#    0 AMB  10-2:342      0 AMB  10-1:342    4.00    (#    342:10  Double Ambig)
 &rst
  ixpk= 342, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1792,1793, 584, 585,
 igr2=1809, 600,
 &end
#
#    0 AMB  10-2:343      0 AMB  10-1:343    4.00    (#    343:10  Double Ambig)
 &rst
  ixpk= 343, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 602,1811,
 igr2= 600,1809,
 &end
#
#    0 AMB  10-2:344      0 AMB  10-1:344    4.00    (#    344:10  Double Ambig)
 &rst
  ixpk= 344, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=1754,1755,1756,1758,1759,1760,1836,1837,1838,1840,
      1841,1842,1497,1498,1499,
 igr2= 600,1809,
 &end
#
#  102 LEU  HN          103 THR  HN          4.00    (#    349:10  Unique         2.54, 2.69 A)
 &rst
  ixpk= 349, nxpk= 10, iat=1608,1627, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:351    103 THR  HN          4.00    (#    351:10  Single Ambig)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1610,1583,
 &end
#
#  103 THR  HA          103 THR  HN          4.00    (#    352:10  Unique         2.73, 2.76 A)
 &rst
  ixpk= 352, nxpk= 10, iat=1629,1627, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  103 THR  HB          103 THR  HN          5.00    (#    353:10  Unique         2.56, 3.37 A)
 &rst
  ixpk= 353, nxpk= 10, iat=1631,1627, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 THR  MG2         103 THR  HN          4.00    (#    354:10  Unique         1.71, 2.98 A)
 &rst
  ixpk= 354, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1633,1634,1635,
 &end
#
#  115 TYR  HD          115 TYR  HN          3.00    (#    355:10  Unique         2.19, 3.50 A)
 &rst
  ixpk= 355, nxpk= 10, iat=  -1,1809, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1817,1826,
 &end
#
#  114 TYR  HA          115 TYR  HN          3.00    (#    356:10  Unique         2.19, 2.23 A)
 &rst
  ixpk= 356, nxpk= 10, iat=1790,1809, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:357      0 AMB  10-1:357    4.00    (#    357:10  Double Ambig)
 &rst
  ixpk= 357, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1813,1814, 604, 605,
 igr2=1809, 600,
 &end
#
#   33 LEU  MDY         115 TYR  HN          4.00    (#    358:10  Unique         2.26, 4.82 A)
 &rst
  ixpk= 358, nxpk= 10, iat=  -1,1809, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#   35 HIS  HA          115 TYR  HN          6.00    (#    359:10  Unique         2.97, 3.16 A)
 &rst
  ixpk= 359, nxpk= 10, iat= 565,1809, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  115 TYR  HB-         115 TYR  HN          4.00    (#    360:10  Unique         2.14, 3.12 A)
 &rst
  ixpk= 360, nxpk= 10, iat=  -1,1809, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1813,1814,
 &end
#
#    0 AMB  10-2:361    115 TYR  HN          5.00    (#    361:10  Single Ambig)
 &rst
  ixpk= 361, nxpk= 10, iat=  -1,1809, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 550, 551, 552,1947,1948,1949,1951,1952,1953,
 &end
#
#  145 ALA  HN          144 LEU  HN          3.00    (#    362:10  Unique         2.17, 2.44 A)
 &rst
  ixpk= 362, nxpk= 10, iat=2302,2283, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  143 VAL  HA          144 LEU  HN          4.00    (#    363:10  Unique         3.50, 3.56 A)
 &rst
  ixpk= 363, nxpk= 10, iat=2269,2283, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:364    144 LEU  HN          3.00    (#    364:10  Single Ambig)
 &rst
  ixpk= 364, nxpk= 10, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279,
 &end
#
#  144 LEU  MDX         144 LEU  HN          4.00    (#    365:10  Unique         2.59, 4.37 A)
 &rst
  ixpk= 365, nxpk= 10, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2292,2293,2294,2296,2297,2298,
 &end
#
#  144 LEU  MDY         144 LEU  HN          3.00    (#    366:10  Unique         2.59, 4.37 A)
 &rst
  ixpk= 366, nxpk= 10, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2292,2293,2294,2296,2297,2298,
 &end
#
#  143 VAL  HN          144 LEU  HN          3.00    (#    367:10  Unique         2.54, 2.77 A)
 &rst
  ixpk= 367, nxpk= 10, iat=2267,2283, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  141 ASN  HA          144 LEU  HN          3.00    (#    368:10  Unique         3.31, 3.58 A)
 &rst
  ixpk= 368, nxpk= 10, iat=2231,2283, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:369    144 LEU  HN          3.00    (#    369:10  Single Ambig)
 &rst
  ixpk= 369, nxpk= 10, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2285,2245,
 &end
#
#  144 LEU  HB+         144 LEU  HN          3.00    (#    370:10  Unique         2.22, 2.96 A)
 &rst
  ixpk= 370, nxpk= 10, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2287,2288,
 &end
#
#  144 LEU  HB-         144 LEU  HN          3.00    (#    371:10  Unique         2.22, 2.96 A)
 &rst
  ixpk= 371, nxpk= 10, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2287,2288,
 &end
#
#   52 ASN  HN           53 GLU  HN          3.00    (#    372:10  Unique         2.05, 2.35 A)
 &rst
  ixpk= 372, nxpk= 10, iat= 832, 846, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   53 GLU  HA           53 GLU  HN          3.00    (#    373:10  Unique         2.89, 2.90 A)
 &rst
  ixpk= 373, nxpk= 10, iat= 848, 846, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   50 GLN  HA           53 GLU  HN          4.00    (#    374:10  Unique         2.78, 3.05 A)
 &rst
  ixpk= 374, nxpk= 10, iat= 801, 846, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:375     53 GLU  HN          3.00    (#    375:10  Single Ambig)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 836, 837, 930, 931,
 &end
#
#   53 GLU  HG+          53 GLU  HN          4.00    (#    376:10  Unique         1.76, 2.31 A)
 &rst
  ixpk= 376, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 853, 854,
 &end
#
#    0 AMB  10-2:377     53 GLU  HN          5.00    (#    377:10  Single Ambig)
 &rst
  ixpk= 377, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 803, 804, 806, 807, 806, 807,1467,1468,
 &end
#
#   53 GLU  HB-          53 GLU  HN          3.00    (#    378:10  Unique         2.36, 3.31 A)
 &rst
  ixpk= 378, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 850, 851,
 &end
#
#   53 GLU  HB+          53 GLU  HN          3.00    (#    379:10  Unique         2.36, 3.31 A)
 &rst
  ixpk= 379, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 850, 851,
 &end
#
#    0 AMB  10-2:380     53 GLU  HN          4.00    (#    380:10  Single Ambig)
 &rst
  ixpk= 380, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 834, 795,
 &end
#
#  141 ASN  HN          140 VAL  HN          3.00    (#    381:10  Unique         2.64, 2.87 A)
 &rst
  ixpk= 381, nxpk= 10, iat=2229,2213, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  139 ARG  HN          140 VAL  HN          3.00    (#    382:10  Unique         2.53, 2.66 A)
 &rst
  ixpk= 382, nxpk= 10, iat=2189,2213, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  139 ARG  HA          140 VAL  HN          5.00    (#    383:10  Unique         3.48, 3.53 A)
 &rst
  ixpk= 383, nxpk= 10, iat=2191,2213, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  137 GLU  HA          140 VAL  HN          4.00    (#    384:10  Unique         3.43, 3.73 A)
 &rst
  ixpk= 384, nxpk= 10, iat=2154,2213, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  140 VAL  HA          140 VAL  HN          3.00    (#    385:10  Unique         2.74, 2.81 A)
 &rst
  ixpk= 385, nxpk= 10, iat=2215,2213, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  140 VAL  HB          140 VAL  HN          3.00    (#    386:10  Unique         1.98, 2.36 A)
 &rst
  ixpk= 386, nxpk= 10, iat=2217,2213, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  139 ARG  HB-         140 VAL  HN          4.00    (#    387:10  Unique         2.58, 3.42 A)
 &rst
  ixpk= 387, nxpk= 10, iat=  -1,2213, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2193,2194,
 &end
#
#  139 ARG  HB+         140 VAL  HN          4.00    (#    388:10  Unique         2.58, 3.42 A)
 &rst
  ixpk= 388, nxpk= 10, iat=  -1,2213, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2193,2194,
 &end
#
#    0 AMB  10-2:389    140 VAL  HN          5.00    (#    389:10  Single Ambig)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1,2213, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
      1841,1842,
 &end
#
#  140 VAL  MGX         140 VAL  HN          3.00    (#    390:10  Unique         1.75, 3.73 A)
 &rst
  ixpk= 390, nxpk= 10, iat=  -1,2213, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#  136 LEU  MDX         140 VAL  HN          5.00    (#    391:10  Unique         2.51, 5.17 A)
 &rst
  ixpk= 391, nxpk= 10, iat=  -1,2213, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2142,2143,2144,2146,2147,2148,
 &end
#
#  140 VAL  MGY         140 VAL  HN          3.00    (#    392:10  Unique         1.75, 3.73 A)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1,2213, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  10-2:395      0 AMB  10-1:395    6.00    (#    395:10  Double Ambig)
 &rst
  ixpk= 395, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1610,2304,
 igr2=1641,2283,
 &end
#
#  143 VAL  HB          144 LEU  HN          4.00    (#    396:10  Unique         2.40, 3.74 A)
 &rst
  ixpk= 396, nxpk= 10, iat=2271,2283, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:397    144 LEU  HN          4.00    (#    397:10  Single Ambig)
 &rst
  ixpk= 397, nxpk= 10, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 501, 502,1010,1011, 504, 505,2217,
 &end
#
#  144 LEU  HG          144 LEU  HN          3.00    (#    398:10  Unique         2.03, 2.62 A)
 &rst
  ixpk= 398, nxpk= 10, iat=2290,2283, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  104 ASP  HA          104 ASP  HN          3.00    (#    402:10  Unique         2.72, 2.78 A)
 &rst
  ixpk= 402, nxpk= 10, iat=1643,1641, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  102 LEU  HA          104 ASP  HN          6.00    (#    403:10  Unique         3.40, 3.87 A)
 &rst
  ixpk= 403, nxpk= 10, iat=1610,1641, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  104 ASP  HB-         104 ASP  HN          3.00    (#    404:10  Unique         2.23, 2.60 A)
 &rst
  ixpk= 404, nxpk= 10, iat=  -1,1641, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1645,1646,
 &end
#
#  104 ASP  HB+         104 ASP  HN          3.00    (#    405:10  Unique         2.23, 2.60 A)
 &rst
  ixpk= 405, nxpk= 10, iat=  -1,1641, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1645,1646,
 &end
#
#  103 THR  MG2         104 ASP  HN          5.00    (#    406:10  Unique         4.02, 4.82 A)
 &rst
  ixpk= 406, nxpk= 10, iat=  -1,1641, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1633,1634,1635,
 &end
#
#  105 ALA  HN          104 ASP  HN          4.00    (#    407:10  Unique         2.31, 2.58 A)
 &rst
  ixpk= 407, nxpk= 10, iat=1653,1641, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  101 ALA  HA          104 ASP  HN          4.00    (#    408:10  Unique         3.12, 3.47 A)
 &rst
  ixpk= 408, nxpk= 10, iat=1600,1641, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:409    104 ASP  HN          4.00    (#    409:10  Single Ambig)
 &rst
  ixpk= 409, nxpk= 10, iat=  -1,1641, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1629,1685,
 &end
#
#    5 GLN  HA            5 GLN  HN          3.00    (#    412:10  Unique         2.87, 2.90 A)
 &rst
  ixpk= 412, nxpk= 10, iat=  88,  86, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    6 PRO  HD+           5 GLN  HN          5.00    (#    413:10  Unique         2.33, 3.58 A)
 &rst
  ixpk= 413, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 104, 105,
 &end
#
#    3 LEU  HA            5 GLN  HN          4.00    (#    414:10  Unique         2.92, 3.11 A)
 &rst
  ixpk= 414, nxpk= 10, iat=  45,  86, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    4 ARG  HA            5 GLN  HN          4.00    (#    415:10  Unique         3.10, 3.24 A)
 &rst
  ixpk= 415, nxpk= 10, iat=  64,  86, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:416      5 GLN  HN          3.00    (#    416:10  Single Ambig)
 &rst
  ixpk= 416, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  90,  91, 110, 111,
 &end
#
#    0 AMB  10-2:417      5 GLN  HN          3.00    (#    417:10  Single Ambig)
 &rst
  ixpk= 417, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  90,  91,  66,  67,
 &end
#
#    0 AMB  10-2:418      5 GLN  HN          4.00    (#    418:10  Single Ambig)
 &rst
  ixpk= 418, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  25,  26,   8,   9,
 &end
#
#    4 ARG  HG-           5 GLN  HN          4.00    (#    419:10  Unique         2.80, 4.75 A)
 &rst
  ixpk= 419, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  69,  70,
 &end
#
#  123 LEU  HB+           5 GLN  HN          4.00    (#    420:10  Unique         2.31, 3.30 A)
 &rst
  ixpk= 420, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1942,1943,
 &end
#
#  123 LEU  HG            5 GLN  HN          5.00    (#    421:10  Unique         3.79, 4.50 A)
 &rst
  ixpk= 421, nxpk= 10, iat=1945,  86, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  123 LEU  MDX           5 GLN  HN          4.00    (#    422:10  Unique         2.55, 5.30 A)
 &rst
  ixpk= 422, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1947,1948,1949,1951,1952,1953,
 &end
#
#    4 ARG  HN            5 GLN  HN          3.00    (#    423:10  Unique         1.63, 2.21 A)
 &rst
  ixpk= 423, nxpk= 10, iat=  62,  86, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  123 LEU  HN            5 GLN  HN          5.00    (#    424:10  Unique         3.97, 4.07 A)
 &rst
  ixpk= 424, nxpk= 10, iat=1938,  86, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 GLN  HG+           5 GLN  HN          3.00    (#    426:10  Unique         1.78, 2.89 A)
 &rst
  ixpk= 426, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  93,  94,
 &end
#
#    4 ARG  HG+           5 GLN  HN          4.00    (#    427:10  Unique         2.80, 4.75 A)
 &rst
  ixpk= 427, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  69,  70,
 &end
#
#  137 GLU  HN          136 LEU  HN          3.00    (#    429:10  Unique         2.03, 2.38 A)
 &rst
  ixpk= 429, nxpk= 10, iat=2152,2133, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  138 LYS  HN          136 LEU  HN          4.00    (#    430:10  Unique         3.51, 3.83 A)
 &rst
  ixpk= 430, nxpk= 10, iat=2167,2133, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  133 MET  HA          136 LEU  HN          4.00    (#    431:10  Unique         2.83, 3.11 A)
 &rst
  ixpk= 431, nxpk= 10, iat=2079,2133, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:432    136 LEU  HN          4.00    (#    432:10  Single Ambig)
 &rst
  ixpk= 432, nxpk= 10, iat=  -1,2133, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2118,2054,2055,
 &end
#
#  136 LEU  HA          136 LEU  HN          3.00    (#    433:10  Unique         2.80, 2.88 A)
 &rst
  ixpk= 433, nxpk= 10, iat=2135,2133, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  135 MET  ME          136 LEU  HN          3.00    (#    434:10  Unique         1.93, 3.81 A)
 &rst
  ixpk= 434, nxpk= 10, iat=  -1,2133, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2127,2128,2129,
 &end
#
#  136 LEU  HB+         136 LEU  HN          3.00    (#    435:10  Unique         2.05, 2.57 A)
 &rst
  ixpk= 435, nxpk= 10, iat=  -1,2133, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2137,2138,
 &end
#
#  136 LEU  MDX         136 LEU  HN          4.00    (#    436:10  Unique         2.49, 5.04 A)
 &rst
  ixpk= 436, nxpk= 10, iat=  -1,2133, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2142,2143,2144,2146,2147,2148,
 &end
#
#  135 MET  HN          136 LEU  HN          3.00    (#    437:10  Unique         2.00, 2.24 A)
 &rst
  ixpk= 437, nxpk= 10, iat=2116,2133, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   50 GLN  HE2-        136 LEU  HN          5.00    (#    438:10  Unique         6.32, 8.17 A)
 &rst
  ixpk= 438, nxpk= 10, iat=  -1,2133, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 811, 812,
 &end
#
#    0 AMB  10-2:439      0 AMB  10-1:439    3.00    (#    439:10  Double Ambig)
 &rst
  ixpk= 439, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=2137,2138,1223,1224,
 igr2=2133,1238,
 &end
#
#    0 AMB  10-2:440      0 AMB  10-1:440    4.00    (#    440:10  Double Ambig)
 &rst
  ixpk= 440, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1306,1307,1308,2142,2143,2144,2146,2147,2148,
 igr2=1238,2133,
 &end
#
#   76 LEU  HN           77 ASP  HN          3.00    (#    441:10  Unique         1.92, 2.23 A)
 &rst
  ixpk= 441, nxpk= 10, iat=1219,1238, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   76 LEU  HA           77 ASP  HN          4.00    (#    443:10  Unique         3.35, 3.48 A)
 &rst
  ixpk= 443, nxpk= 10, iat=1221,1238, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 ASP  HB+          77 ASP  HN          3.00    (#    444:10  Unique         2.15, 2.79 A)
 &rst
  ixpk= 444, nxpk= 10, iat=  -1,1238, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1242,1243,
 &end
#
#   77 ASP  HB-          77 ASP  HN          3.00    (#    445:10  Unique         2.15, 2.79 A)
 &rst
  ixpk= 445, nxpk= 10, iat=  -1,1238, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1242,1243,
 &end
#
#   76 LEU  HG           77 ASP  HN          5.00    (#    446:10  Unique         2.19, 4.21 A)
 &rst
  ixpk= 446, nxpk= 10, iat=1226,1238, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:450      0 AMB  10-1:450    3.00    (#    450:10  Double Ambig)
 &rst
  ixpk= 450, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 608,1034,1035,
 igr2=1081, 460,
 &end
#
#   36 PHE  HA           67 VAL  HN          4.00    (#    451:10  Unique         2.16, 2.39 A)
 &rst
  ixpk= 451, nxpk= 10, iat= 582,1081, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   66 ALA  HA           67 VAL  HN          3.00    (#    452:10  Unique         2.37, 2.44 A)
 &rst
  ixpk= 452, nxpk= 10, iat=1073,1081, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   66 ALA  MB           67 VAL  HN          4.00    (#    453:10  Unique         2.54, 3.42 A)
 &rst
  ixpk= 453, nxpk= 10, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1075,1076,1077,
 &end
#
#   67 VAL  HB           67 VAL  HN          4.00    (#    454:10  Unique         2.60, 2.91 A)
 &rst
  ixpk= 454, nxpk= 10, iat=1085,1081, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 VAL  MGX          67 VAL  HN          4.00    (#    455:10  Unique         1.93, 4.11 A)
 &rst
  ixpk= 455, nxpk= 10, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1087,1088,1089,1091,1092,1093,
 &end
#
#    0 AMB  10-2:458      0 AMB  10-1:458    4.00    (#    458:10  Double Ambig)
 &rst
  ixpk= 458, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1223,1224,1278,1279,2174,2175,
 igr2=1238,2133,
 &end
#
#   47 ALA  HN           48 MET  HN          3.00    (#    459:10  Unique         1.82, 2.15 A)
 &rst
  ixpk= 459, nxpk= 10, iat= 758, 768, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 ALA  HA           48 MET  HN          4.00    (#    460:10  Unique         3.05, 3.27 A)
 &rst
  ixpk= 460, nxpk= 10, iat= 760, 768, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 MET  HA           48 MET  HN          3.00    (#    461:10  Unique         2.72, 2.81 A)
 &rst
  ixpk= 461, nxpk= 10, iat= 770, 768, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   49 PRO  HD+          48 MET  HN          4.00    (#    462:10  Unique         1.80, 2.09 A)
 &rst
  ixpk= 462, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 786, 787,
 &end
#
#   49 PRO  HD-          48 MET  HN          3.00    (#    463:10  Unique         1.80, 2.09 A)
 &rst
  ixpk= 463, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 786, 787,
 &end
#
#   48 MET  HG+          48 MET  HN          5.00    (#    464:10  Unique         1.86, 3.39 A)
 &rst
  ixpk= 464, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 775, 776,
 &end
#
#   48 MET  HB-          48 MET  HN          3.00    (#    465:10  Unique         1.97, 2.83 A)
 &rst
  ixpk= 465, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 772, 773,
 &end
#
#   48 MET  HB+          48 MET  HN          3.00    (#    466:10  Unique         1.97, 2.83 A)
 &rst
  ixpk= 466, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 772, 773,
 &end
#
#    0 AMB  10-2:467     48 MET  HN          4.00    (#    467:10  Single Ambig)
 &rst
  ixpk= 467, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 789, 790, 820, 747, 748,
 &end
#
#    0 AMB  10-2:468     48 MET  HN          3.00    (#    468:10  Single Ambig)
 &rst
  ixpk= 468, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 762, 763, 764, 728, 729,
 &end
#
#   48 MET  ME           48 MET  HN          4.00    (#    469:10  Unique         2.75, 4.67 A)
 &rst
  ixpk= 469, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 779, 780, 781,
 &end
#
#  119 LYS  HB-          29 GLU  HN          5.00    (#    470:10  Unique         1.94, 3.29 A)
 &rst
  ixpk= 470, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1882,1883,
 &end
#
#    0 AMB  10-2:472     29 GLU  HN          3.00    (#    472:10  Single Ambig)
 &rst
  ixpk= 472, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 455, 456, 462,
 &end
#
#   28 GLY  HA+          29 GLU  HN          5.00    (#    473:10  Unique         2.28, 3.29 A)
 &rst
  ixpk= 473, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 455, 456,
 &end
#
#   29 GLU  HB+          29 GLU  HN          4.00    (#    474:10  Unique         2.67, 3.44 A)
 &rst
  ixpk= 474, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 464, 465,
 &end
#
#   29 GLU  HB-          29 GLU  HN          4.00    (#    475:10  Unique         2.67, 3.44 A)
 &rst
  ixpk= 475, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 464, 465,
 &end
#
#   30 LYS  HN           29 GLU  HN          3.00    (#    476:10  Unique         1.70, 2.08 A)
 &rst
  ixpk= 476, nxpk= 10, iat= 475, 460, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   46 GLU  HN           45 LYS  HN          4.00    (#    479:10  Unique         2.12, 2.52 A)
 &rst
  ixpk= 479, nxpk= 10, iat= 743, 721, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:480     45 LYS  HN          4.00    (#    480:10  Single Ambig)
 &rst
  ixpk= 480, nxpk= 10, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 715, 716, 677,
 &end
#
#   44 CYSS HN           45 LYS  HN          4.00    (#    481:10  Unique         2.15, 2.45 A)
 &rst
  ixpk= 481, nxpk= 10, iat= 711, 721, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   45 LYS  HA           45 LYS  HN          4.00    (#    483:10  Unique         2.75, 2.82 A)
 &rst
  ixpk= 483, nxpk= 10, iat= 723, 721, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   45 LYS  HB+          45 LYS  HN          4.00    (#    484:10  Unique         2.00, 2.91 A)
 &rst
  ixpk= 484, nxpk= 10, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 725, 726,
 &end
#
#   45 LYS  HD+          45 LYS  HN          3.00    (#    485:10  Unique         1.93, 3.34 A)
 &rst
  ixpk= 485, nxpk= 10, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 731, 732,
 &end
#
#   45 LYS  HG+          45 LYS  HN          4.00    (#    486:10  Unique         1.81, 3.39 A)
 &rst
  ixpk= 486, nxpk= 10, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 728, 729,
 &end
#
#   93 PRO  HA           94 ILE  HN          4.00    (#    488:10  Unique         2.15, 2.16 A)
 &rst
  ixpk= 488, nxpk= 10, iat=1487,1491, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 HIS  HN           87 GLU  HN          3.00    (#    490:10  Unique         2.12, 2.27 A)
 &rst
  ixpk= 490, nxpk= 10, iat=1398,1383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 THR  HA           87 GLU  HN          3.00    (#    492:10  Unique         3.09, 3.33 A)
 &rst
  ixpk= 492, nxpk= 10, iat=1351,1383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 ALA  HA           87 GLU  HN          4.00    (#    493:10  Unique         3.42, 3.50 A)
 &rst
  ixpk= 493, nxpk= 10, iat=1375,1383, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 GLU  HA           87 GLU  HN          3.00    (#    495:10  Unique         2.83, 2.89 A)
 &rst
  ixpk= 495, nxpk= 10, iat=1385,1383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   87 GLU  HB-          87 GLU  HN          3.00    (#    497:10  Unique         2.10, 2.87 A)
 &rst
  ixpk= 497, nxpk= 10, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1387,1388,
 &end
#
#   87 GLU  HB+          87 GLU  HN          3.00    (#    498:10  Unique         2.10, 2.87 A)
 &rst
  ixpk= 498, nxpk= 10, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1387,1388,
 &end
#
#   86 ALA  MB           87 GLU  HN          3.00    (#    499:10  Unique         2.87, 3.82 A)
 &rst
  ixpk= 499, nxpk= 10, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1377,1378,1379,
 &end
#
#   84 THR  HA           86 ALA  HN          4.00    (#    500:10  Unique         3.80, 4.19 A)
 &rst
  ixpk= 500, nxpk= 10, iat=1351,1373, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:501     86 ALA  HN          4.00    (#    501:10  Single Ambig)
 &rst
  ixpk= 501, nxpk= 10, iat=  -1,1373, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1365,1314,
 &end
#
#   87 GLU  HB-          86 ALA  HN          5.00    (#    502:10  Unique         4.08, 5.20 A)
 &rst
  ixpk= 502, nxpk= 10, iat=  -1,1373, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1387,1388,
 &end
#
#    0 AMB  10-2:503      0 AMB  10-1:503    5.00    (#    503:10  Double Ambig)
 &rst
  ixpk= 503, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1437,1438,1319,1320, 444, 445,
 igr2=1373,1921,
 &end
#
#   85 ALA  HN           86 ALA  HN          3.00    (#    504:10  Unique         2.31, 2.58 A)
 &rst
  ixpk= 504, nxpk= 10, iat=1363,1373, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 ALA  HA           86 ALA  HN          3.00    (#    505:10  Unique         2.77, 2.83 A)
 &rst
  ixpk= 505, nxpk= 10, iat=1375,1373, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   83 GLU  HA           86 ALA  HN          4.00    (#    506:10  Unique         2.93, 3.33 A)
 &rst
  ixpk= 506, nxpk= 10, iat=1336,1373, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 GLU  HA           86 ALA  HN          5.00    (#    507:10  Unique         4.75, 5.05 A)
 &rst
  ixpk= 507, nxpk= 10, iat=1385,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   85 ALA  MB           86 ALA  HN          3.00    (#    508:10  Unique         2.59, 3.63 A)
 &rst
  ixpk= 508, nxpk= 10, iat=  -1,1373, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1367,1368,1369,
 &end
#
#   86 ALA  MB           86 ALA  HN          3.00    (#    509:10  Unique         2.02, 2.82 A)
 &rst
  ixpk= 509, nxpk= 10, iat=  -1,1373, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1377,1378,1379,
 &end
#
#  135 MET  ME          135 MET  HN          4.00    (#    511:10  Unique         1.91, 4.67 A)
 &rst
  ixpk= 511, nxpk= 10, iat=  -1,2116, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2127,2128,2129,
 &end
#
#   84 THR  HN           83 GLU  HN          3.00    (#    514:10  Unique         2.10, 2.46 A)
 &rst
  ixpk= 514, nxpk= 10, iat=1349,1334, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   82 LYS  HN           83 GLU  HN          3.00    (#    515:10  Unique         2.77, 2.87 A)
 &rst
  ixpk= 515, nxpk= 10, iat=1312,1334, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   83 GLU  HA           83 GLU  HN          3.00    (#    516:10  Unique         2.77, 2.86 A)
 &rst
  ixpk= 516, nxpk= 10, iat=1336,1334, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   83 GLU  HG-          83 GLU  HN          3.00    (#    517:10  Unique         3.13, 4.05 A)
 &rst
  ixpk= 517, nxpk= 10, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1341,1342,
 &end
#
#   83 GLU  HB-          83 GLU  HN          3.00    (#    518:10  Unique         2.02, 2.69 A)
 &rst
  ixpk= 518, nxpk= 10, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1338,1339,
 &end
#
#   82 LYS  HB+          83 GLU  HN          3.00    (#    519:10  Unique         2.46, 3.51 A)
 &rst
  ixpk= 519, nxpk= 10, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1316,1317,
 &end
#
#   82 LYS  HG-          83 GLU  HN          4.00    (#    520:10  Unique         2.59, 4.27 A)
 &rst
  ixpk= 520, nxpk= 10, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1319,1320,
 &end
#
#    0 AMB  10-2:524    107 GLU  HN          3.00    (#    524:10  Single Ambig)
 &rst
  ixpk= 524, nxpk= 10, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1687,1688,1690,1691,
 &end
#
#  121 GLY  HN          122 GLN  HN          3.00    (#    525:10  Unique         2.16, 2.54 A)
 &rst
  ixpk= 525, nxpk= 10, iat=1914,1921, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  122 GLN  HA          122 GLN  HN          3.00    (#    527:10  Unique         2.90, 2.91 A)
 &rst
  ixpk= 527, nxpk= 10, iat=1923,1921, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:528      0 AMB  10-1:528    4.00    (#    528:10  Double Ambig)
 &rst
  ixpk= 528, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1916,1917,1631,
 igr2=1921,1683,
 &end
#
#  122 GLN  HG-         122 GLN  HN          3.00    (#    529:10  Unique         2.58, 3.52 A)
 &rst
  ixpk= 529, nxpk= 10, iat=  -1,1921, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1928,1929,
 &end
#
#    0 AMB  10-2:530      0 AMB  10-1:530    3.00    (#    530:10  Double Ambig)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1925,1926,1928,1929,1687,1688,
 igr2=1921,1683,
 &end
#
#  120 THR  HN          122 GLN  HN          4.00    (#    531:10  Unique         3.09, 3.42 A)
 &rst
  ixpk= 531, nxpk= 10, iat=1900,1921, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:532      0 AMB  10-1:532    3.00    (#    532:10  Double Ambig)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1925,1926,1367,1368,1369,
 igr2=1921,1373,
 &end
#
#   62 LEU  HG           62 LEU  HN          6.00    (#    535:10  Unique         3.62, 4.62 A)
 &rst
  ixpk= 535, nxpk= 10, iat=1013,1006, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  144 LEU  HN          145 ALA  HN          3.00    (#    537:10  Unique         2.17, 2.44 A)
 &rst
  ixpk= 537, nxpk= 10, iat=2283,2302, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  145 ALA  HA          145 ALA  HN          3.00    (#    538:10  Unique         2.83, 2.88 A)
 &rst
  ixpk= 538, nxpk= 10, iat=2304,2302, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:539      0 AMB  10-1:539    3.00    (#    539:10  Double Ambig)
 &rst
  ixpk= 539, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2245,2285, 848,
 igr2=2302, 861,
 &end
#
#    0 AMB  10-2:540      0 AMB  10-1:540    5.00    (#    540:10  Double Ambig)
 &rst
  ixpk= 540, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2269, 883,
 igr2=2302, 861,
 &end
#
#    0 AMB  10-2:541      0 AMB  10-1:541    4.00    (#    541:10  Double Ambig)
 &rst
  ixpk= 541, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=2316,2317,2159,2160,2271,
 igr2=2302, 861,
 &end
#
#    0 AMB  10-2:542      0 AMB  10-1:542    3.00    (#    542:10  Double Ambig)
 &rst
  ixpk= 542, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=2287,2288, 803, 804,
 igr2=2302, 861,
 &end
#
#  144 LEU  HG          145 ALA  HN          5.00    (#    543:10  Unique         4.37, 4.57 A)
 &rst
  ixpk= 543, nxpk= 10, iat=2290,2302, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  145 ALA  MB          145 ALA  HN          3.00    (#    544:10  Unique         2.08, 2.87 A)
 &rst
  ixpk= 544, nxpk= 10, iat=  -1,2302, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2306,2307,2308,
 &end
#
#  144 LEU  HB-         145 ALA  HN          3.00    (#    545:10  Unique         2.64, 3.29 A)
 &rst
  ixpk= 545, nxpk= 10, iat=  -1,2302, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2287,2288,
 &end
#
#    0 AMB  10-2:546    145 ALA  HN          5.00    (#    546:10  Single Ambig)
 &rst
  ixpk= 546, nxpk= 10, iat=  -1,2302, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279,
 &end
#
#  144 LEU  MDX         145 ALA  HN          4.00    (#    547:10  Unique         4.29, 5.73 A)
 &rst
  ixpk= 547, nxpk= 10, iat=  -1,2302, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2292,2293,2294,2296,2297,2298,
 &end
#
#  144 LEU  MDY         145 ALA  HN          4.00    (#    548:10  Unique         4.29, 5.73 A)
 &rst
  ixpk= 548, nxpk= 10, iat=  -1,2302, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2292,2293,2294,2296,2297,2298,
 &end
#
#    0 AMB  10-2:549      0 AMB  10-1:549    4.00    (#    549:10  Double Ambig)
 &rst
  ixpk= 549, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2231, 834,
 igr2=2302, 861,
 &end
#
#   82 LYS  HA           83 GLU  HN          4.00    (#    550:10  Unique         3.51, 3.58 A)
 &rst
  ixpk= 550, nxpk= 10, iat=1314,1334, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 GLU  HB+          83 GLU  HN          3.00    (#    551:10  Unique         2.02, 2.69 A)
 &rst
  ixpk= 551, nxpk= 10, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1338,1339,
 &end
#
#   82 LYS  HD+          83 GLU  HN          5.00    (#    552:10  Unique         1.93, 5.01 A)
 &rst
  ixpk= 552, nxpk= 10, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1322,1323,
 &end
#
#   82 LYS  HG+          83 GLU  HN          3.00    (#    553:10  Unique         2.59, 4.27 A)
 &rst
  ixpk= 553, nxpk= 10, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1319,1320,
 &end
#
#   47 ALA  HN           46 GLU  HN          3.00    (#    554:10  Unique         2.29, 2.42 A)
 &rst
  ixpk= 554, nxpk= 10, iat= 758, 743, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:555     46 GLU  HN          5.00    (#    555:10  Single Ambig)
 &rst
  ixpk= 555, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 713,2061, 677,
 &end
#
#   46 GLU  HA           46 GLU  HN          3.00    (#    556:10  Unique         2.83, 2.86 A)
 &rst
  ixpk= 556, nxpk= 10, iat= 745, 743, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   45 LYS  HA           46 GLU  HN          5.00    (#    557:10  Unique         3.47, 3.51 A)
 &rst
  ixpk= 557, nxpk= 10, iat= 723, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 GLU  HG-          46 GLU  HN          3.00    (#    558:10  Unique         2.01, 2.58 A)
 &rst
  ixpk= 558, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 750, 751,
 &end
#
#   46 GLU  HB-          46 GLU  HN          3.00    (#    559:10  Unique         2.48, 3.11 A)
 &rst
  ixpk= 559, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 747, 748,
 &end
#
#    0 AMB  10-2:560      0 AMB  10-1:560    3.00    (#    560:10  Double Ambig)
 &rst
  ixpk= 560, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 747, 748,1184,1185, 725, 726,
 igr2= 743,1195,
 &end
#
#    0 AMB  10-2:561      0 AMB  10-1:561    3.00    (#    561:10  Double Ambig)
 &rst
  ixpk= 561, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 731, 732,1281,1282,
 igr2= 743,1195,
 &end
#
#   45 LYS  HN           46 GLU  HN          3.00    (#    562:10  Unique         2.12, 2.52 A)
 &rst
  ixpk= 562, nxpk= 10, iat= 721, 743, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   43 LEU  HA           46 GLU  HN          4.00    (#    563:10  Unique         2.91, 3.30 A)
 &rst
  ixpk= 563, nxpk= 10, iat= 694, 743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:564      0 AMB  10-1:564    4.00    (#    564:10  Double Ambig)
 &rst
  ixpk= 564, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 728, 729, 762, 763, 764, 645, 646,
 igr2= 743,1195,
 &end
#
#   75 ASP  HN           74 ASP  HN          4.00    (#    565:10  Unique         2.06, 2.55 A)
 &rst
  ixpk= 565, nxpk= 10, iat=1207,1195, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   74 ASP  HA           74 ASP  HN          3.00    (#    566:10  Unique         2.75, 2.82 A)
 &rst
  ixpk= 566, nxpk= 10, iat=1197,1195, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   72 SER  HB-          74 ASP  HN          4.00    (#    567:10  Unique         1.96, 2.89 A)
 &rst
  ixpk= 567, nxpk= 10, iat=  -1,1195, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1173,1174,
 &end
#
#   74 ASP  HB+          74 ASP  HN          4.00    (#    568:10  Unique         2.06, 2.95 A)
 &rst
  ixpk= 568, nxpk= 10, iat=  -1,1195, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1199,1200,
 &end
#
#   74 ASP  HB-          74 ASP  HN          3.00    (#    570:10  Unique         2.06, 2.95 A)
 &rst
  ixpk= 570, nxpk= 10, iat=  -1,1195, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1199,1200,
 &end
#
#   81 ILE  HN           82 LYS  HN          3.00    (#    573:10  Unique         2.68, 2.88 A)
 &rst
  ixpk= 573, nxpk= 10, iat=1293,1312, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   81 ILE  HA           82 LYS  HN          6.00    (#    576:10  Unique         3.60, 3.63 A)
 &rst
  ixpk= 576, nxpk= 10, iat=1295,1312, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   81 ILE  QG2          82 LYS  HN          4.00    (#    584:10  Unique         2.97, 4.03 A)
 &rst
  ixpk= 584, nxpk= 10, iat=  -1,1312, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1299,1300,1301,
 &end
#
#  106 PHE  HN          107 GLU  HN          3.00    (#    587:10  Unique         1.83, 2.03 A)
 &rst
  ixpk= 587, nxpk= 10, iat=1663,1683, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  104 ASP  HA          107 GLU  HN          4.00    (#    588:10  Unique         4.07, 4.35 A)
 &rst
  ixpk= 588, nxpk= 10, iat=1643,1683, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:589    107 GLU  HN          3.00    (#    589:10  Single Ambig)
 &rst
  ixpk= 589, nxpk= 10, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1629,1685,
 &end
#
#  106 PHE  HB-         107 GLU  HN          4.00    (#    590:10  Unique         2.82, 3.85 A)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1667,1668,
 &end
#
#  106 PHE  HB+         107 GLU  HN          4.00    (#    591:10  Unique         2.82, 3.85 A)
 &rst
  ixpk= 591, nxpk= 10, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1667,1668,
 &end
#
#  107 GLU  HB+         107 GLU  HN          3.00    (#    592:10  Unique         2.70, 3.44 A)
 &rst
  ixpk= 592, nxpk= 10, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1687,1688,
 &end
#
#    0 AMB  10-2:593    107 GLU  HN          4.00    (#    593:10  Single Ambig)
 &rst
  ixpk= 593, nxpk= 10, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1657,1658,1659,1702,1703,  15,  16,  17,
 &end
#
#   61 GLN  HN           62 LEU  HN          3.00    (#    594:10  Unique         1.76, 1.87 A)
 &rst
  ixpk= 594, nxpk= 10, iat= 989,1006, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 LEU  HA           62 LEU  HN          3.00    (#    595:10  Unique         2.84, 2.90 A)
 &rst
  ixpk= 595, nxpk= 10, iat=1008,1006, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 GLN  HA           62 LEU  HN          4.00    (#    596:10  Unique         3.38, 3.54 A)
 &rst
  ixpk= 596, nxpk= 10, iat= 991,1006, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLN  HA           62 LEU  HN          5.00    (#    597:10  Unique         3.39, 3.88 A)
 &rst
  ixpk= 597, nxpk= 10, iat= 962,1006, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 TYR  HB-          62 LEU  HN          5.00    (#    598:10  Unique         1.93, 3.44 A)
 &rst
  ixpk= 598, nxpk= 10, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 943, 944,
 &end
#
#   61 GLN  HG-          62 LEU  HN          4.00    (#    599:10  Unique         3.20, 4.85 A)
 &rst
  ixpk= 599, nxpk= 10, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 996, 997,
 &end
#
#    0 AMB  10-2:600     62 LEU  HN          3.00    (#    600:10  Single Ambig)
 &rst
  ixpk= 600, nxpk= 10, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1010,1011, 993, 994,
 &end
#
#   62 LEU  HB+          62 LEU  HN          3.00    (#    601:10  Unique         2.45, 3.12 A)
 &rst
  ixpk= 601, nxpk= 10, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1010,1011,
 &end
#
#   62 LEU  MDY          62 LEU  HN          4.00    (#    602:10  Unique         3.09, 5.04 A)
 &rst
  ixpk= 602, nxpk= 10, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1015,1016,1017,1019,1020,1021,
 &end
#
#   60 ASP  HN           62 LEU  HN          5.00    (#    603:10  Unique         2.09, 2.83 A)
 &rst
  ixpk= 603, nxpk= 10, iat= 977,1006, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 TYR  HB+          62 LEU  HN          5.00    (#    604:10  Unique         1.93, 3.44 A)
 &rst
  ixpk= 604, nxpk= 10, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 943, 944,
 &end
#
#    0 AMB  10-2:605     62 LEU  HN          4.00    (#    605:10  Single Ambig)
 &rst
  ixpk= 605, nxpk= 10, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1015,1016,1017,1019,1020,1021,2292,2293,2294,2296,
      2297,2298,
 &end
#
#  114 TYR  HN          127 GLN  HN          4.00    (#    606:10  Unique         2.87, 3.15 A)
 &rst
  ixpk= 606, nxpk= 10, iat=1788,2018, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:607      0 AMB  10-1:607    6.00    (#    607:10  Double Ambig)
 &rst
  ixpk= 607, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=2238,2239,1817,1826,1998,
 igr2=2243,2018,
 &end
#
#  115 TYR  HA          127 GLN  HN          6.00    (#    608:10  Unique         3.00, 3.30 A)
 &rst
  ixpk= 608, nxpk= 10, iat=1811,2018, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  127 GLN  HA          127 GLN  HN          3.00    (#    609:10  Unique         2.82, 2.89 A)
 &rst
  ixpk= 609, nxpk= 10, iat=2020,2018, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:610    127 GLN  HN          3.00    (#    610:10  Single Ambig)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1,2018, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2002,2003,1792,1793,
 &end
#
#  143 VAL  HB          142 ARG  HN          5.00    (#    611:10  Unique         4.55, 4.80 A)
 &rst
  ixpk= 611, nxpk= 10, iat=2271,2243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  126 PHE  HD          127 GLN  HN          3.00    (#    612:10  Unique         2.01, 3.90 A)
 &rst
  ixpk= 612, nxpk= 10, iat=  -1,2018, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2006,2014,
 &end
#
#  126 PHE  HA          127 GLN  HN          3.00    (#    613:10  Unique         2.21, 2.35 A)
 &rst
  ixpk= 613, nxpk= 10, iat=2000,2018, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  126 PHE  HB+         127 GLN  HN          5.00    (#    614:10  Unique         2.72, 3.87 A)
 &rst
  ixpk= 614, nxpk= 10, iat=  -1,2018, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2002,2003,
 &end
#
#  127 GLN  HB-         127 GLN  HN          3.00    (#    615:10  Unique         2.38, 3.05 A)
 &rst
  ixpk= 615, nxpk= 10, iat=  -1,2018, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2022,2023,
 &end
#
#   55 ARG  HN           54 PHE  HN          3.00    (#    617:10  Unique         2.68, 2.81 A)
 &rst
  ixpk= 617, nxpk= 10, iat= 881, 861, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   54 PHE  HD           54 PHE  HN          4.00    (#    619:10  Unique         2.01, 3.91 A)
 &rst
  ixpk= 619, nxpk= 10, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 869, 877,
 &end
#
#   54 PHE  HA           54 PHE  HN          3.00    (#    620:10  Unique         2.62, 2.73 A)
 &rst
  ixpk= 620, nxpk= 10, iat= 863, 861, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:622      0 AMB  10-1:622    3.00    (#    622:10  Double Ambig)
 &rst
  ixpk= 622, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2245,2285, 848,
 igr2=2302, 861,
 &end
#
#   54 PHE  HB-          54 PHE  HN          3.00    (#    623:10  Unique         1.91, 2.66 A)
 &rst
  ixpk= 623, nxpk= 10, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 865, 866,
 &end
#
#   51 VAL  HA           54 PHE  HN          4.00    (#    624:10  Unique         3.12, 3.52 A)
 &rst
  ixpk= 624, nxpk= 10, iat= 818, 861, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 PHE  HB+          54 PHE  HN          3.00    (#    625:10  Unique         1.91, 2.66 A)
 &rst
  ixpk= 625, nxpk= 10, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 865, 866,
 &end
#
#    0 AMB  10-2:626     54 PHE  HN          3.00    (#    626:10  Single Ambig)
 &rst
  ixpk= 626, nxpk= 10, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 850, 851, 888, 889,
 &end
#
#   53 GLU  HB+          54 PHE  HN          3.00    (#    627:10  Unique         2.78, 3.68 A)
 &rst
  ixpk= 627, nxpk= 10, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 850, 851,
 &end
#
#    0 AMB  10-2:628     54 PHE  HN          5.00    (#    628:10  Single Ambig)
 &rst
  ixpk= 628, nxpk= 10, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 885, 886, 909, 910,
 &end
#
#  127 GLN  HN          114 TYR  HN          4.00    (#    632:10  Unique         2.87, 3.15 A)
 &rst
  ixpk= 632, nxpk= 10, iat=2018,1788, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  114 TYR  HA          114 TYR  HN          4.00    (#    634:10  Unique         2.90, 2.92 A)
 &rst
  ixpk= 634, nxpk= 10, iat=1790,1788, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  114 TYR  HB-         114 TYR  HN          4.00    (#    637:10  Unique         2.60, 3.46 A)
 &rst
  ixpk= 637, nxpk= 10, iat=  -1,1788, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1792,1793,
 &end
#
#  114 TYR  HB+         114 TYR  HN          4.00    (#    638:10  Unique         2.60, 3.46 A)
 &rst
  ixpk= 638, nxpk= 10, iat=  -1,1788, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1792,1793,
 &end
#
#  128 ALA  MB          114 TYR  HN          5.00    (#    640:10  Unique         3.91, 4.87 A)
 &rst
  ixpk= 640, nxpk= 10, iat=  -1,1788, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2039,2040,2041,
 &end
#
#    2 LYS  HB-           3 LEU  HN          3.00    (#    641:10  Unique         2.01, 3.45 A)
 &rst
  ixpk= 641, nxpk= 10, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  25,  26,
 &end
#
#  127 GLN  HB-         127 GLN  HN          3.00    (#    643:10  Unique         2.38, 3.05 A)
 &rst
  ixpk= 643, nxpk= 10, iat=  -1,2018, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2022,2023,
 &end
#
#  141 ASN  HN          142 ARG  HN          3.00    (#    644:10  Unique         2.56, 2.72 A)
 &rst
  ixpk= 644, nxpk= 10, iat=2229,2243, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  143 VAL  HN          142 ARG  HN          3.00    (#    645:10  Unique         2.39, 2.72 A)
 &rst
  ixpk= 645, nxpk= 10, iat=2267,2243, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  141 ASN  HA          142 ARG  HN          4.00    (#    647:10  Unique         3.39, 3.50 A)
 &rst
  ixpk= 647, nxpk= 10, iat=2231,2243, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  142 ARG  HA          142 ARG  HN          3.00    (#    648:10  Unique         2.72, 2.81 A)
 &rst
  ixpk= 648, nxpk= 10, iat=2245,2243, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  138 LYS  HA          142 ARG  HN          5.00    (#    649:10  Unique         3.80, 4.47 A)
 &rst
  ixpk= 649, nxpk= 10, iat=2169,2243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  139 ARG  HA          142 ARG  HN          4.00    (#    650:10  Unique         3.15, 3.41 A)
 &rst
  ixpk= 650, nxpk= 10, iat=2191,2243, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:651      0 AMB  10-1:651    5.00    (#    651:10  Double Ambig)
 &rst
  ixpk= 651, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2253,2254,1985,1986,
 igr2=2243,2018,
 &end
#
#  141 ASN  HB-         142 ARG  HN          3.00    (#    652:10  Unique         2.96, 3.74 A)
 &rst
  ixpk= 652, nxpk= 10, iat=  -1,2243, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2233,2234,
 &end
#
#  141 ASN  HB+         142 ARG  HN          3.00    (#    653:10  Unique         2.96, 3.74 A)
 &rst
  ixpk= 653, nxpk= 10, iat=  -1,2243, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2233,2234,
 &end
#
#    0 AMB  10-2:654      0 AMB  10-1:654    3.00    (#    654:10  Double Ambig)
 &rst
  ixpk= 654, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=2247,2248,2022,2023,
 igr2=2243,2018,
 &end
#
#  142 ARG  HG+         142 ARG  HN          3.00    (#    655:10  Unique         3.16, 3.91 A)
 &rst
  ixpk= 655, nxpk= 10, iat=  -1,2243, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2250,2251,
 &end
#
#    0 AMB  10-2:656    142 ARG  HN          5.00    (#    656:10  Single Ambig)
 &rst
  ixpk= 656, nxpk= 10, iat=  -1,2243, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279,
 &end
#
#   25 GLN  HN           26 LEU  HN          3.00    (#    659:10  Unique         1.89, 2.18 A)
 &rst
  ixpk= 659, nxpk= 10, iat= 398, 415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   27 ILE  HN           26 LEU  HN          3.00    (#    660:10  Unique         1.81, 1.89 A)
 &rst
  ixpk= 660, nxpk= 10, iat= 434, 415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:661     26 LEU  HN          3.00    (#    661:10  Single Ambig)
 &rst
  ixpk= 661, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 417, 400,
 &end
#
#   23 ARG  HA           26 LEU  HN          5.00    (#    662:10  Unique         2.95, 3.41 A)
 &rst
  ixpk= 662, nxpk= 10, iat= 361, 415, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:663     26 LEU  HN          5.00    (#    663:10  Single Ambig)
 &rst
  ixpk= 663, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 402, 403, 390, 391,
 &end
#
#    0 AMB  10-2:664     26 LEU  HN          4.00    (#    664:10  Single Ambig)
 &rst
  ixpk= 664, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 402, 403, 387, 388,
 &end
#
#   26 LEU  HG           26 LEU  HN          3.00    (#    665:10  Unique         1.98, 2.53 A)
 &rst
  ixpk= 665, nxpk= 10, iat= 422, 415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   26 LEU  HB+          26 LEU  HN          3.00    (#    666:10  Unique         2.42, 3.41 A)
 &rst
  ixpk= 666, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 419, 420,
 &end
#
#    0 AMB  10-2:667     26 LEU  HN          3.00    (#    667:10  Single Ambig)
 &rst
  ixpk= 667, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 424, 425, 426, 428, 429, 430, 335, 336, 337, 339,
       340, 341,
 &end
#
#   26 LEU  MDX          26 LEU  HN          3.00    (#    668:10  Unique         2.73, 4.44 A)
 &rst
  ixpk= 668, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 424, 425, 426, 428, 429, 430,
 &end
#
#    2 LYS  HA            3 LEU  HN          3.00    (#    672:10  Unique         2.18, 2.36 A)
 &rst
  ixpk= 672, nxpk= 10, iat=  23,  43, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    3 LEU  HA            3 LEU  HN          4.00    (#    673:10  Unique         2.48, 2.66 A)
 &rst
  ixpk= 673, nxpk= 10, iat=  45,  43, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:674      3 LEU  HN          3.00    (#    674:10  Single Ambig)
 &rst
  ixpk= 674, nxpk= 10, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=  50,  47,  48,
 &end
#
#    3 LEU  HB-           3 LEU  HN          3.00    (#    675:10  Unique         2.59, 3.17 A)
 &rst
  ixpk= 675, nxpk= 10, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  47,  48,
 &end
#
#    3 LEU  MDX           3 LEU  HN          4.00    (#    676:10  Unique         2.09, 3.97 A)
 &rst
  ixpk= 676, nxpk= 10, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    3 LEU  MDY           3 LEU  HN          3.00    (#    677:10  Unique         2.09, 3.97 A)
 &rst
  ixpk= 677, nxpk= 10, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#   25 GLN  HE2+         26 LEU  HN          5.00    (#    678:10  Unique         5.81, 7.21 A)
 &rst
  ixpk= 678, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 410, 411,
 &end
#
#   53 GLU  HN           52 ASN  HN          3.00    (#    680:10  Unique         2.05, 2.35 A)
 &rst
  ixpk= 680, nxpk= 10, iat= 846, 832, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   51 VAL  HN           52 ASN  HN          3.00    (#    681:10  Unique         2.64, 2.80 A)
 &rst
  ixpk= 681, nxpk= 10, iat= 816, 832, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 MET  HA           52 ASN  HN          4.00    (#    682:10  Unique         3.82, 4.26 A)
 &rst
  ixpk= 682, nxpk= 10, iat= 770, 832, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 VAL  HA           52 ASN  HN          4.00    (#    683:10  Unique         3.36, 3.48 A)
 &rst
  ixpk= 683, nxpk= 10, iat= 818, 832, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   52 ASN  HB+          52 ASN  HN          3.00    (#    684:10  Unique         2.04, 2.82 A)
 &rst
  ixpk= 684, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 836, 837,
 &end
#
#   51 VAL  HB           52 ASN  HN          3.00    (#    685:10  Unique         2.86, 3.26 A)
 &rst
  ixpk= 685, nxpk= 10, iat= 820, 832, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   51 VAL  MGY          52 ASN  HN          4.00    (#    686:10  Unique         2.45, 4.81 A)
 &rst
  ixpk= 686, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   51 VAL  MGX          52 ASN  HN          4.00    (#    687:10  Unique         2.45, 4.81 A)
 &rst
  ixpk= 687, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   52 ASN  HD2+         52 ASN  HN          4.00    (#    688:10  Unique         1.83, 3.55 A)
 &rst
  ixpk= 688, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 841, 842,
 &end
#
#    0 AMB  10-2:689      0 AMB  10-1:689    4.00    (#    689:10  Double Ambig)
 &rst
  ixpk= 689, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 799,1398,
 igr2= 832,1427,
 &end
#
#    0 AMB  10-2:690      0 AMB  10-1:690    3.00    (#    690:10  Double Ambig)
 &rst
  ixpk= 690, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 834,1417,1375,
 igr2= 832,1427,
 &end
#
#    0 AMB  10-2:694      0 AMB  10-1:694    6.00    (#    694:10  Double Ambig)
 &rst
  ixpk= 694, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279,1504,1505,1506,
 igr2=1866,1427,
 &end
#
#   89 ASP  HN           90 ILE  HN          3.00    (#    695:10  Unique         1.72, 1.88 A)
 &rst
  ixpk= 695, nxpk= 10, iat=1415,1427, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   90 ILE  HA           90 ILE  HN          3.00    (#    696:10  Unique         2.26, 2.64 A)
 &rst
  ixpk= 696, nxpk= 10, iat=1429,1427, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   90 ILE  HB           90 ILE  HN          3.00    (#    697:10  Unique         2.31, 3.44 A)
 &rst
  ixpk= 697, nxpk= 10, iat=1431,1427, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:698     90 ILE  HN          3.00    (#    698:10  Single Ambig)
 &rst
  ixpk= 698, nxpk= 10, iat=  -1,1427, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1437,1438, 779, 780, 781,
 &end
#
#   90 ILE  QG2          90 ILE  HN          6.00    (#    699:10  Unique         2.14, 3.45 A)
 &rst
  ixpk= 699, nxpk= 10, iat=  -1,1427, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1433,1434,1435,
 &end
#
#   90 ILE  QD1          90 ILE  HN          4.00    (#    700:10  Unique         2.00, 3.99 A)
 &rst
  ixpk= 700, nxpk= 10, iat=  -1,1427, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1440,1441,1442,
 &end
#
#   55 ARG  HA           55 ARG  HN          4.00    (#    701:10  Unique         2.74, 2.82 A)
 &rst
  ixpk= 701, nxpk= 10, iat= 883, 881, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:702      0 AMB  10-1:702    5.00    (#    702:10  Double Ambig)
 &rst
  ixpk= 702, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 909, 910,2107,2108, 930, 931, 943, 944,
 igr2= 881,2152,
 &end
#
#    0 AMB  10-2:703      0 AMB  10-1:703    4.00    (#    703:10  Double Ambig)
 &rst
  ixpk= 703, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 885, 886,2177,2178,
 igr2= 881,2152,
 &end
#
#   56 ASP  HN           55 ARG  HN          4.00    (#    704:10  Unique         2.34, 2.65 A)
 &rst
  ixpk= 704, nxpk= 10, iat= 905, 881, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 PHE  HN           55 ARG  HN          3.00    (#    705:10  Unique         2.68, 2.81 A)
 &rst
  ixpk= 705, nxpk= 10, iat= 861, 881, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   54 PHE  HB+          55 ARG  HN          5.00    (#    706:10  Unique         2.69, 3.54 A)
 &rst
  ixpk= 706, nxpk= 10, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 865, 866,
 &end
#
#   55 ARG  HB-          55 ARG  HN          4.00    (#    707:10  Unique         2.06, 2.64 A)
 &rst
  ixpk= 707, nxpk= 10, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 885, 886,
 &end
#
#    0 AMB  10-2:708      0 AMB  10-1:708    4.00    (#    708:10  Double Ambig)
 &rst
  ixpk= 708, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2079, 863,
 igr2=2152, 881,
 &end
#
#   52 ASN  HA           55 ARG  HN          4.00    (#    709:10  Unique         4.00, 4.24 A)
 &rst
  ixpk= 709, nxpk= 10, iat= 834, 881, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:710      0 AMB  10-1:710    6.00    (#    710:10  Double Ambig)
 &rst
  ixpk= 710, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 848,2118,
 igr2= 881,2152,
 &end
#
#  136 LEU  MDY         137 GLU  HN          6.00    (#    711:10  Unique         2.66, 5.23 A)
 &rst
  ixpk= 711, nxpk= 10, iat=  -1,2152, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2142,2143,2144,2146,2147,2148,
 &end
#
#  138 LYS  HN          137 GLU  HN          3.00    (#    712:10  Unique         2.71, 2.84 A)
 &rst
  ixpk= 712, nxpk= 10, iat=2167,2152, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  136 LEU  HN          137 GLU  HN          3.00    (#    713:10  Unique         2.03, 2.38 A)
 &rst
  ixpk= 713, nxpk= 10, iat=2133,2152, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   54 PHE  HD            0 AMB  10-1:714    5.00    (#    714:10  Single Ambig)
 &rst
  ixpk= 714, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 869, 877,
 igr2=2152, 881,
 &end
#
#  136 LEU  HA          137 GLU  HN          5.00    (#    716:10  Unique         3.50, 3.60 A)
 &rst
  ixpk= 716, nxpk= 10, iat=2135,2152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  137 GLU  HA          137 GLU  HN          3.00    (#    717:10  Unique         2.66, 2.69 A)
 &rst
  ixpk= 717, nxpk= 10, iat=2154,2152, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:718      0 AMB  10-1:718    3.00    (#    718:10  Double Ambig)
 &rst
  ixpk= 718, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 888, 889,2159,2160,2156,2157,
 igr2= 881,2152,
 &end
#
#  136 LEU  HB-         137 GLU  HN          3.00    (#    719:10  Unique         2.40, 3.26 A)
 &rst
  ixpk= 719, nxpk= 10, iat=  -1,2152, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2137,2138,
 &end
#
#    0 AMB  10-2:720    137 GLU  HN          3.00    (#    720:10  Single Ambig)
 &rst
  ixpk= 720, nxpk= 10, iat=  -1,2152, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2137,2138,2140,
 &end
#
#  140 VAL  HN          139 ARG  HN          3.00    (#    721:10  Unique         2.53, 2.66 A)
 &rst
  ixpk= 721, nxpk= 10, iat=2213,2189, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  138 LYS  HN          139 ARG  HN          3.00    (#    722:10  Unique         2.10, 2.24 A)
 &rst
  ixpk= 722, nxpk= 10, iat=2167,2189, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  138 LYS  HA          139 ARG  HN          4.00    (#    723:10  Unique         3.56, 3.58 A)
 &rst
  ixpk= 723, nxpk= 10, iat=2169,2189, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  139 ARG  HA          139 ARG  HN          3.00    (#    724:10  Unique         2.68, 2.75 A)
 &rst
  ixpk= 724, nxpk= 10, iat=2191,2189, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  136 LEU  HA          139 ARG  HN          5.00    (#    725:10  Unique         2.55, 2.76 A)
 &rst
  ixpk= 725, nxpk= 10, iat=2135,2189, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  138 LYS  HB-         139 ARG  HN          3.00    (#    726:10  Unique         2.75, 3.69 A)
 &rst
  ixpk= 726, nxpk= 10, iat=  -1,2189, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2171,2172,
 &end
#
#  139 ARG  HB-         139 ARG  HN          3.00    (#    727:10  Unique         2.03, 2.79 A)
 &rst
  ixpk= 727, nxpk= 10, iat=  -1,2189, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2193,2194,
 &end
#
#  139 ARG  HB+         139 ARG  HN          3.00    (#    728:10  Unique         2.03, 2.79 A)
 &rst
  ixpk= 728, nxpk= 10, iat=  -1,2189, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2193,2194,
 &end
#
#  139 ARG  HG-         139 ARG  HN          4.00    (#    729:10  Unique         1.98, 3.45 A)
 &rst
  ixpk= 729, nxpk= 10, iat=  -1,2189, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2196,2197,
 &end
#
#   90 ILE  HN           89 ASP  HN          3.00    (#    730:10  Unique         1.72, 1.88 A)
 &rst
  ixpk= 730, nxpk= 10, iat=1427,1415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 HIS  HN           89 ASP  HN          3.00    (#    734:10  Unique         2.35, 2.87 A)
 &rst
  ixpk= 734, nxpk= 10, iat=1398,1415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:735     89 ASP  HN          4.00    (#    735:10  Single Ambig)
 &rst
  ixpk= 735, nxpk= 10, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1400, 770,
 &end
#
#    0 AMB  10-2:736     89 ASP  HN          3.00    (#    736:10  Single Ambig)
 &rst
  ixpk= 736, nxpk= 10, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1417,1375,
 &end
#
#   87 GLU  HA           89 ASP  HN          4.00    (#    737:10  Unique         4.73, 5.02 A)
 &rst
  ixpk= 737, nxpk= 10, iat=1385,1415, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 ASP  HB+          89 ASP  HN          3.00    (#    738:10  Unique         3.00, 3.57 A)
 &rst
  ixpk= 738, nxpk= 10, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1419,1420,
 &end
#
#    0 AMB  10-2:739     89 ASP  HN          6.00    (#    739:10  Single Ambig)
 &rst
  ixpk= 739, nxpk= 10, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1377,1378,1379, 281, 278, 279, 728, 729,
 &end
#
#  138 LYS  HD+         138 LYS  HN          4.00    (#    742:10  Unique         1.84, 2.29 A)
 &rst
  ixpk= 742, nxpk= 10, iat=  -1,2167, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2177,2178,
 &end
#
#  137 GLU  HN          138 LYS  HN          3.00    (#    743:10  Unique         2.71, 2.84 A)
 &rst
  ixpk= 743, nxpk= 10, iat=2152,2167, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  139 ARG  HN          138 LYS  HN          3.00    (#    744:10  Unique         2.10, 2.24 A)
 &rst
  ixpk= 744, nxpk= 10, iat=2189,2167, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  135 MET  HA          138 LYS  HN          4.00    (#    746:10  Unique         3.58, 3.93 A)
 &rst
  ixpk= 746, nxpk= 10, iat=2118,2167, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  138 LYS  HA          138 LYS  HN          3.00    (#    747:10  Unique         2.85, 2.90 A)
 &rst
  ixpk= 747, nxpk= 10, iat=2169,2167, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  137 GLU  HA          138 LYS  HN          4.00    (#    748:10  Unique         3.47, 3.52 A)
 &rst
  ixpk= 748, nxpk= 10, iat=2154,2167, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  137 GLU  HG+         138 LYS  HN          4.00    (#    749:10  Unique         1.92, 4.66 A)
 &rst
  ixpk= 749, nxpk= 10, iat=  -1,2167, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2159,2160,
 &end
#
#  138 LYS  HB-         138 LYS  HN          3.00    (#    750:10  Unique         2.88, 3.29 A)
 &rst
  ixpk= 750, nxpk= 10, iat=  -1,2167, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2171,2172,
 &end
#
#  138 LYS  HB+         138 LYS  HN          3.00    (#    751:10  Unique         2.88, 3.29 A)
 &rst
  ixpk= 751, nxpk= 10, iat=  -1,2167, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2171,2172,
 &end
#
#  138 LYS  HG+         138 LYS  HN          3.00    (#    752:10  Unique         1.83, 2.64 A)
 &rst
  ixpk= 752, nxpk= 10, iat=  -1,2167, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2174,2175,
 &end
#
#  138 LYS  HG-         138 LYS  HN          4.00    (#    753:10  Unique         1.83, 2.64 A)
 &rst
  ixpk= 753, nxpk= 10, iat=  -1,2167, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2174,2175,
 &end
#
#  120 THR  HN          119 LYS  HN          5.00    (#    757:10  Unique         2.68, 2.85 A)
 &rst
  ixpk= 757, nxpk= 10, iat=1900,1878, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  118 ASP  HA          119 LYS  HN          3.00    (#    759:10  Unique         2.48, 2.53 A)
 &rst
  ixpk= 759, nxpk= 10, iat=1868,1878, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  119 LYS  HA          119 LYS  HN          4.00    (#    760:10  Unique         2.75, 2.80 A)
 &rst
  ixpk= 760, nxpk= 10, iat=1880,1878, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  118 ASP  HB-         119 LYS  HN          3.00    (#    761:10  Unique         2.28, 3.23 A)
 &rst
  ixpk= 761, nxpk= 10, iat=  -1,1878, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1870,1871,
 &end
#
#  118 ASP  HB+         119 LYS  HN          4.00    (#    762:10  Unique         2.28, 3.23 A)
 &rst
  ixpk= 762, nxpk= 10, iat=  -1,1878, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1870,1871,
 &end
#
#    0 AMB  10-2:763    119 LYS  HN          5.00    (#    763:10  Single Ambig)
 &rst
  ixpk= 763, nxpk= 10, iat=  -1,1878, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 501, 502,2345,2346,
 &end
#
#  119 LYS  HB-         119 LYS  HN          4.00    (#    764:10  Unique         2.06, 2.96 A)
 &rst
  ixpk= 764, nxpk= 10, iat=  -1,1878, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1882,1883,
 &end
#
#  119 LYS  HD-         119 LYS  HN          4.00    (#    765:10  Unique         3.00, 4.59 A)
 &rst
  ixpk= 765, nxpk= 10, iat=  -1,1878, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1888,1889,
 &end
#
#  119 LYS  HG+         119 LYS  HN          4.00    (#    766:10  Unique         1.94, 2.79 A)
 &rst
  ixpk= 766, nxpk= 10, iat=  -1,1878, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1885,1886,
 &end
#
#  119 LYS  HB+         119 LYS  HN          4.00    (#    767:10  Unique         2.06, 2.96 A)
 &rst
  ixpk= 767, nxpk= 10, iat=  -1,1878, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1882,1883,
 &end
#
#  119 LYS  HG-         119 LYS  HN          4.00    (#    768:10  Unique         1.94, 2.79 A)
 &rst
  ixpk= 768, nxpk= 10, iat=  -1,1878, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1885,1886,
 &end
#
#    0 AMB  10-2:769    119 LYS  HN          4.00    (#    769:10  Single Ambig)
 &rst
  ixpk= 769, nxpk= 10, iat=  -1,1878, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279,
 &end
#
#  122 GLN  HN          118 ASP  HN          5.00    (#    770:10  Unique         2.44, 2.73 A)
 &rst
  ixpk= 770, nxpk= 10, iat=1921,1866, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HD          118 ASP  HN          5.00    (#    771:10  Unique         4.20, 5.21 A)
 &rst
  ixpk= 771, nxpk= 10, iat=  -1,1866, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1854,1862,
 &end
#
#  117 PHE  HA          118 ASP  HN          3.00    (#    772:10  Unique         2.20, 2.25 A)
 &rst
  ixpk= 772, nxpk= 10, iat=1848,1866, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  118 ASP  HA          118 ASP  HN          4.00    (#    773:10  Unique         2.72, 2.76 A)
 &rst
  ixpk= 773, nxpk= 10, iat=1868,1866, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  118 ASP  HB-         118 ASP  HN          4.00    (#    774:10  Unique         2.03, 2.86 A)
 &rst
  ixpk= 774, nxpk= 10, iat=  -1,1866, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1870,1871,
 &end
#
#    0 AMB  10-2:775    118 ASP  HN          4.00    (#    775:10  Single Ambig)
 &rst
  ixpk= 775, nxpk= 10, iat=  -1,1866, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1967,1968,1850,1851,
 &end
#
#  117 PHE  HB+         118 ASP  HN          4.00    (#    776:10  Unique         2.85, 3.66 A)
 &rst
  ixpk= 776, nxpk= 10, iat=  -1,1866, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1850,1851,
 &end
#
#  124 ARG  HG+         118 ASP  HN          4.00    (#    777:10  Unique         2.39, 3.83 A)
 &rst
  ixpk= 777, nxpk= 10, iat=  -1,1866, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1964,1965,
 &end
#
#   90 ILE  HG1+         90 ILE  HN          4.00    (#    779:10  Unique         1.79, 2.54 A)
 &rst
  ixpk= 779, nxpk= 10, iat=  -1,1427, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1437,1438,
 &end
#
#  139 ARG  HD-         139 ARG  HN          4.00    (#    780:10  Unique         2.70, 4.59 A)
 &rst
  ixpk= 780, nxpk= 10, iat=  -1,2189, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2199,2200,
 &end
#
#   64 VAL  MGY          92 GLN  HE2-        6.00    (#    782:10  Unique         1.86, 4.65 A)
 &rst
  ixpk= 782, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1045,1046,1047,1049,1050,1051,
 igr2=1472,1473,
 &end
#
#    0 AMB  10-2:783     27 ILE  HN          4.00    (#    783:10  Single Ambig)
 &rst
  ixpk= 783, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 417, 400,
 &end
#
#   36 PHE  HN          113 ALA  HN          5.00    (#    784:10  Unique         2.21, 2.57 A)
 &rst
  ixpk= 784, nxpk= 10, iat= 580,1778, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  114 TYR  HD          113 ALA  HN          4.00    (#    785:10  Unique         3.57, 5.63 A)
 &rst
  ixpk= 785, nxpk= 10, iat=  -1,1778, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1796,1805,
 &end
#
#  111 VAL  HA          113 ALA  HN          4.00    (#    787:10  Unique         2.64, 2.97 A)
 &rst
  ixpk= 787, nxpk= 10, iat=1750,1778, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 PHE  HB-         113 ALA  HN          6.00    (#    788:10  Unique         2.69, 3.38 A)
 &rst
  ixpk= 788, nxpk= 10, iat=  -1,1778, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 584, 585,
 &end
#
#   36 PHE  HB+         113 ALA  HN          5.00    (#    789:10  Unique         2.69, 3.38 A)
 &rst
  ixpk= 789, nxpk= 10, iat=  -1,1778, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 584, 585,
 &end
#
#  112 PRO  HB-         113 ALA  HN          4.00    (#    790:10  Unique         2.63, 3.21 A)
 &rst
  ixpk= 790, nxpk= 10, iat=  -1,1778, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1771,1772,
 &end
#
#    0 AMB  10-2:791    113 ALA  HN          4.00    (#    791:10  Single Ambig)
 &rst
  ixpk= 791, nxpk= 10, iat=  -1,1778, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1771,1772,1752,
 &end
#
#  113 ALA  MB          113 ALA  HN          3.00    (#    792:10  Unique         2.65, 3.47 A)
 &rst
  ixpk= 792, nxpk= 10, iat=  -1,1778, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1782,1783,1784,
 &end
#
#  111 VAL  MGX         113 ALA  HN          4.00    (#    793:10  Unique         3.42, 5.39 A)
 &rst
  ixpk= 793, nxpk= 10, iat=  -1,1778, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1754,1755,1756,1758,1759,1760,
 &end
#
#   26 LEU  HA           63 ASN  HD2+        5.00    (#    794:10  Unique         3.54, 4.26 A)
 &rst
  ixpk= 794, nxpk= 10, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1034,1035,
 &end
#
#   63 ASN  HB-          63 ASN  HD2+        4.00    (#    795:10  Unique         2.10, 3.26 A)
 &rst
  ixpk= 795, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1029,1030,
 igr2=1034,1035,
 &end
#
#   30 LYS  HB-          63 ASN  HD2+        5.00    (#    796:10  Unique         2.59, 4.07 A)
 &rst
  ixpk= 796, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 479, 480,
 igr2=1034,1035,
 &end
#
#   26 LEU  MDX          63 ASN  HD2+        4.00    (#    797:10  Unique         1.93, 5.96 A)
 &rst
  ixpk= 797, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 424, 425, 426, 428, 429, 430,
 igr2=1034,1035,
 &end
#
#  108 ASN  HD2+        110 TYR  HN          5.00    (#    800:10  Unique         2.52, 4.06 A)
 &rst
  ixpk= 800, nxpk= 10, iat=  -1,1727, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1707,1708,
 &end
#
#    0 AMB  10-2:801    110 TYR  HN          4.00    (#    801:10  Single Ambig)
 &rst
  ixpk= 801, nxpk= 10, iat=  -1,1727, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1702,1703,1719,1720,
 &end
#
#  109 GLU  HB-         110 TYR  HN          4.00    (#    802:10  Unique         2.46, 4.06 A)
 &rst
  ixpk= 802, nxpk= 10, iat=  -1,1727, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1716,1717,
 &end
#
#  147 THR  HN          146 GLU  HN          3.00    (#    804:10  Unique         1.84, 2.16 A)
 &rst
  ixpk= 804, nxpk= 10, iat=2327,2312, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  147 THR  HA          146 GLU  HN          6.00    (#    807:10  Unique         4.48, 4.65 A)
 &rst
  ixpk= 807, nxpk= 10, iat=2329,2312, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:808    146 GLU  HN          3.00    (#    808:10  Single Ambig)
 &rst
  ixpk= 808, nxpk= 10, iat=  -1,2312, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2314,2304,
 &end
#
#    0 AMB  10-2:809    146 GLU  HN          4.00    (#    809:10  Single Ambig)
 &rst
  ixpk= 809, nxpk= 10, iat=  -1,2312, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2285,2245,
 &end
#
#  143 VAL  HA          146 GLU  HN          5.00    (#    810:10  Unique         3.34, 3.58 A)
 &rst
  ixpk= 810, nxpk= 10, iat=2269,2312, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  146 GLU  HG-         146 GLU  HN          3.00    (#    811:10  Unique         2.04, 3.28 A)
 &rst
  ixpk= 811, nxpk= 10, iat=  -1,2312, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2319,2320,
 &end
#
#  146 GLU  HG+         146 GLU  HN          3.00    (#    812:10  Unique         2.04, 3.28 A)
 &rst
  ixpk= 812, nxpk= 10, iat=  -1,2312, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2319,2320,
 &end
#
#  146 GLU  HB-         146 GLU  HN          3.00    (#    813:10  Unique         2.23, 3.16 A)
 &rst
  ixpk= 813, nxpk= 10, iat=  -1,2312, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2316,2317,
 &end
#
#  145 ALA  MB          146 GLU  HN          3.00    (#    814:10  Unique         3.43, 4.24 A)
 &rst
  ixpk= 814, nxpk= 10, iat=  -1,2312, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2306,2307,2308,
 &end
#
#   26 LEU  HN           27 ILE  HN          3.00    (#    816:10  Unique         1.81, 1.89 A)
 &rst
  ixpk= 816, nxpk= 10, iat= 415, 434, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 GLN  HN           27 ILE  HN          4.00    (#    817:10  Unique         3.53, 3.72 A)
 &rst
  ixpk= 817, nxpk= 10, iat= 398, 434, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 ILE  HA           27 ILE  HN          3.00    (#    818:10  Unique         2.80, 2.86 A)
 &rst
  ixpk= 818, nxpk= 10, iat= 436, 434, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 GLU  HA           27 ILE  HN          5.00    (#    819:10  Unique         3.54, 3.86 A)
 &rst
  ixpk= 819, nxpk= 10, iat= 385, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 LEU  HG           27 ILE  HN          4.00    (#    820:10  Unique         2.50, 3.57 A)
 &rst
  ixpk= 820, nxpk= 10, iat= 422, 434, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:821     27 ILE  HN          3.00    (#    821:10  Single Ambig)
 &rst
  ixpk= 821, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 438, 419, 420,
 &end
#
#   27 ILE  HG1-         27 ILE  HN          3.00    (#    822:10  Unique         1.82, 2.57 A)
 &rst
  ixpk= 822, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 444, 445,
 &end
#
#   27 ILE  HG1+         27 ILE  HN          3.00    (#    823:10  Unique         1.82, 2.57 A)
 &rst
  ixpk= 823, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 444, 445,
 &end
#
#   27 ILE  QG2          27 ILE  HN          4.00    (#    824:10  Unique         4.07, 4.49 A)
 &rst
  ixpk= 824, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 440, 441, 442,
 &end
#
#   26 LEU  MDY          27 ILE  HN          3.00    (#    825:10  Unique         2.06, 5.15 A)
 &rst
  ixpk= 825, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 424, 425, 426, 428, 429, 430,
 &end
#
#  140 VAL  HN          141 ASN  HN          3.00    (#    826:10  Unique         2.64, 2.87 A)
 &rst
  ixpk= 826, nxpk= 10, iat=2213,2229, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  142 ARG  HN          141 ASN  HN          3.00    (#    827:10  Unique         2.56, 2.72 A)
 &rst
  ixpk= 827, nxpk= 10, iat=2243,2229, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  141 ASN  HD2+        141 ASN  HN          5.00    (#    828:10  Unique         1.85, 3.26 A)
 &rst
  ixpk= 828, nxpk= 10, iat=  -1,2229, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2238,2239,
 &end
#
#  141 ASN  HD2-        141 ASN  HN          6.00    (#    829:10  Unique         1.85, 3.26 A)
 &rst
  ixpk= 829, nxpk= 10, iat=  -1,2229, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2238,2239,
 &end
#
#  141 ASN  HA          141 ASN  HN          3.00    (#    830:10  Unique         2.62, 2.71 A)
 &rst
  ixpk= 830, nxpk= 10, iat=2231,2229, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  138 LYS  HA          141 ASN  HN          4.00    (#    831:10  Unique         3.36, 3.57 A)
 &rst
  ixpk= 831, nxpk= 10, iat=2169,2229, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  137 GLU  HA          141 ASN  HN          4.00    (#    832:10  Unique         4.52, 4.93 A)
 &rst
  ixpk= 832, nxpk= 10, iat=2154,2229, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  140 VAL  HA          141 ASN  HN          4.00    (#    833:10  Unique         3.62, 3.64 A)
 &rst
  ixpk= 833, nxpk= 10, iat=2215,2229, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  141 ASN  HB-         141 ASN  HN          3.00    (#    834:10  Unique         2.24, 3.04 A)
 &rst
  ixpk= 834, nxpk= 10, iat=  -1,2229, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2233,2234,
 &end
#
#  141 ASN  HB+         141 ASN  HN          3.00    (#    835:10  Unique         2.24, 3.04 A)
 &rst
  ixpk= 835, nxpk= 10, iat=  -1,2229, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2233,2234,
 &end
#
#    0 AMB  10-2:836    141 ASN  HN          5.00    (#    836:10  Single Ambig)
 &rst
  ixpk= 836, nxpk= 10, iat=  -1,2229, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2271,2156,2157,
 &end
#
#  140 VAL  HB          141 ASN  HN          3.00    (#    837:10  Unique         2.01, 2.44 A)
 &rst
  ixpk= 837, nxpk= 10, iat=2217,2229, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  140 VAL  MGX         141 ASN  HN          4.00    (#    838:10  Unique         1.84, 4.07 A)
 &rst
  ixpk= 838, nxpk= 10, iat=  -1,2229, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#  140 VAL  MGY         141 ASN  HN          4.00    (#    839:10  Unique         1.84, 4.07 A)
 &rst
  ixpk= 839, nxpk= 10, iat=  -1,2229, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#   85 ALA  HN           84 THR  HN          3.00    (#    840:10  Unique         2.57, 2.79 A)
 &rst
  ixpk= 840, nxpk= 10, iat=1363,1349, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   80 LYS  HA           84 THR  HN          5.00    (#    841:10  Unique         3.16, 3.54 A)
 &rst
  ixpk= 841, nxpk= 10, iat=1273,1349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 ILE  HA           84 THR  HN          5.00    (#    842:10  Unique         2.74, 3.22 A)
 &rst
  ixpk= 842, nxpk= 10, iat=1295,1349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 GLU  HN           84 THR  HN          3.00    (#    843:10  Unique         2.10, 2.46 A)
 &rst
  ixpk= 843, nxpk= 10, iat=1334,1349, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 THR  HB           84 THR  HN          3.00    (#    845:10  Unique         2.02, 2.09 A)
 &rst
  ixpk= 845, nxpk= 10, iat=1353,1349, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 THR  HA           84 THR  HN          3.00    (#    846:10  Unique         2.73, 2.79 A)
 &rst
  ixpk= 846, nxpk= 10, iat=1351,1349, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   83 GLU  HA           84 THR  HN          4.00    (#    847:10  Unique         3.58, 3.62 A)
 &rst
  ixpk= 847, nxpk= 10, iat=1336,1349, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 GLU  HB-          84 THR  HN          3.00    (#    848:10  Unique         2.47, 2.99 A)
 &rst
  ixpk= 848, nxpk= 10, iat=  -1,1349, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1338,1339,
 &end
#
#    0 AMB  10-2:849     84 THR  HN          3.00    (#    849:10  Single Ambig)
 &rst
  ixpk= 849, nxpk= 10, iat=  -1,1349, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1=1278,1279,1355,1356,1357,1319,1320,
 &end
#
#   39 ILE  QG2          84 THR  HN          5.00    (#    850:10  Unique         4.67, 5.89 A)
 &rst
  ixpk= 850, nxpk= 10, iat=  -1,1349, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 641, 642, 643,
 &end
#
#  109 GLU  HN          110 TYR  HN          3.00    (#    852:10  Unique         1.62, 2.12 A)
 &rst
  ixpk= 852, nxpk= 10, iat=1712,1727, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  108 ASN  HD2-        110 TYR  HN          4.00    (#    853:10  Unique         2.52, 4.06 A)
 &rst
  ixpk= 853, nxpk= 10, iat=  -1,1727, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1707,1708,
 &end
#
#  110 TYR  HD          110 TYR  HN          3.00    (#    854:10  Unique         1.75, 3.43 A)
 &rst
  ixpk= 854, nxpk= 10, iat=  -1,1727, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1735,1744,
 &end
#
#  110 TYR  HA          110 TYR  HN          3.00    (#    855:10  Unique         2.77, 2.87 A)
 &rst
  ixpk= 855, nxpk= 10, iat=1729,1727, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  108 ASN  HA          110 TYR  HN          4.00    (#    856:10  Unique         3.20, 3.57 A)
 &rst
  ixpk= 856, nxpk= 10, iat=1700,1727, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  109 GLU  HA          110 TYR  HN          4.00    (#    857:10  Unique         2.64, 3.14 A)
 &rst
  ixpk= 857, nxpk= 10, iat=1714,1727, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  110 TYR  HB-         110 TYR  HN          3.00    (#    858:10  Unique         2.48, 3.41 A)
 &rst
  ixpk= 858, nxpk= 10, iat=  -1,1727, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1731,1732,
 &end
#
#  110 TYR  HB+         110 TYR  HN          3.00    (#    859:10  Unique         2.48, 3.41 A)
 &rst
  ixpk= 859, nxpk= 10, iat=  -1,1727, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1731,1732,
 &end
#
#   61 GLN  HN           60 ASP  HN          4.00    (#    862:10  Unique         1.70, 1.95 A)
 &rst
  ixpk= 862, nxpk= 10, iat= 989, 977, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLN  HN           60 ASP  HN          5.00    (#    863:10  Unique         2.53, 3.46 A)
 &rst
  ixpk= 863, nxpk= 10, iat= 960, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 ASP  HA           60 ASP  HN          3.00    (#    864:10  Unique         2.61, 2.74 A)
 &rst
  ixpk= 864, nxpk= 10, iat= 979, 977, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   59 GLN  HA           60 ASP  HN          4.00    (#    865:10  Unique         2.45, 2.78 A)
 &rst
  ixpk= 865, nxpk= 10, iat= 962, 977, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:866     60 ASP  HN          3.00    (#    866:10  Single Ambig)
 &rst
  ixpk= 866, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 981, 982, 981, 982,
 &end
#
#   59 GLN  HG+          60 ASP  HN          6.00    (#    867:10  Unique         4.19, 5.20 A)
 &rst
  ixpk= 867, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 967, 968,
 &end
#
#    0 AMB  10-2:868     60 ASP  HN          3.00    (#    868:10  Single Ambig)
 &rst
  ixpk= 868, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 964, 965, 996, 997, 967, 968,
 &end
#
#   59 GLN  HB-          60 ASP  HN          4.00    (#    869:10  Unique         3.22, 4.30 A)
 &rst
  ixpk= 869, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 964, 965,
 &end
#
#  100 HIS  HN           99 ASP  HN          5.00    (#    870:10  Unique         2.01, 2.28 A)
 &rst
  ixpk= 870, nxpk= 10, iat=1581,1569, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  142 ARG  HN          143 VAL  HN          3.00    (#    872:10  Unique         2.39, 2.72 A)
 &rst
  ixpk= 872, nxpk= 10, iat=2243,2267, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:873      0 AMB  10-1:873    4.00    (#    873:10  Double Ambig)
 &rst
  ixpk= 873, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1173,1174,2269,
 igr2=1207,2267,
 &end
#
#   74 ASP  HN           75 ASP  HN          3.00    (#    874:10  Unique         2.06, 2.55 A)
 &rst
  ixpk= 874, nxpk= 10, iat=1195,1207, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  141 ASN  HA          143 VAL  HN          6.00    (#    875:10  Unique         4.53, 4.96 A)
 &rst
  ixpk= 875, nxpk= 10, iat=2231,2267, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   72 SER  HB-          75 ASP  HN          3.00    (#    876:10  Unique         2.43, 3.49 A)
 &rst
  ixpk= 876, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1173,1174,
 &end
#
#  140 VAL  HA          143 VAL  HN          4.00    (#    877:10  Unique         3.28, 3.55 A)
 &rst
  ixpk= 877, nxpk= 10, iat=2215,2267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  143 VAL  HB          143 VAL  HN          3.00    (#    878:10  Unique         2.07, 2.29 A)
 &rst
  ixpk= 878, nxpk= 10, iat=2271,2267, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  142 ARG  HB+         143 VAL  HN          3.00    (#    879:10  Unique         2.20, 2.79 A)
 &rst
  ixpk= 879, nxpk= 10, iat=  -1,2267, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2247,2248,
 &end
#
#    0 AMB  10-2:880    143 VAL  HN          3.00    (#    880:10  Single Ambig)
 &rst
  ixpk= 880, nxpk= 10, iat=  -1,2267, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279,
 &end
#
#    0 AMB  10-2:881      0 AMB  10-1:881    5.00    (#    881:10  Double Ambig)
 &rst
  ixpk= 881, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1836,1837,1838,1840,1841,1842, 648, 649, 650,
 igr2=2267,1207,
 &end
#
#    0 AMB  10-2:882     75 ASP  HN          3.00    (#    882:10  Single Ambig)
 &rst
  ixpk= 882, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1281,1282,1149,1150,1226,
 &end
#
#    0 AMB  10-2:883     75 ASP  HN          4.00    (#    883:10  Single Ambig)
 &rst
  ixpk= 883, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 645, 646,1223,1224,
 &end
#
#   71 ARG  HN           75 ASP  HN          6.00    (#    884:10  Unique         4.32, 4.75 A)
 &rst
  ixpk= 884, nxpk= 10, iat=1145,1207, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   72 SER  HN           75 ASP  HN          4.00    (#    885:10  Unique         2.59, 3.20 A)
 &rst
  ixpk= 885, nxpk= 10, iat=1169,1207, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 LEU  HN           75 ASP  HN          3.00    (#    887:10  Unique         2.49, 2.70 A)
 &rst
  ixpk= 887, nxpk= 10, iat=1219,1207, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   74 ASP  HA           75 ASP  HN          3.00    (#    890:10  Unique         3.57, 3.64 A)
 &rst
  ixpk= 890, nxpk= 10, iat=1197,1207, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   75 ASP  HB+          75 ASP  HN          3.00    (#    891:10  Unique         2.19, 3.03 A)
 &rst
  ixpk= 891, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1211,1212,
 &end
#
#   75 ASP  HB-          75 ASP  HN          3.00    (#    892:10  Unique         2.19, 3.03 A)
 &rst
  ixpk= 892, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1211,1212,
 &end
#
#   74 ASP  HB+          75 ASP  HN          4.00    (#    893:10  Unique         2.07, 2.87 A)
 &rst
  ixpk= 893, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1199,1200,
 &end
#
#   74 ASP  HB-          75 ASP  HN          4.00    (#    894:10  Unique         2.07, 2.87 A)
 &rst
  ixpk= 894, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1199,1200,
 &end
#
#    0 AMB  10-2:895      0 AMB  10-1:895    5.00    (#    895:10  Double Ambig)
 &rst
  ixpk= 895, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1223,1224,2287,2288,
 igr2=1207,2267,
 &end
#
#    0 AMB  10-2:896      0 AMB  10-1:896    4.00    (#    896:10  Double Ambig)
 &rst
  ixpk= 896, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1836,1837,1838,1840,1841,1842,1228,1229,1230,1232,
      1233,1234,
 igr2=2267,1207,
 &end
#
#  106 PHE  HD          106 PHE  HN          3.00    (#    899:10  Unique         1.38, 3.73 A)
 &rst
  ixpk= 899, nxpk= 10, iat=  -1,1663, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1671,1679,
 &end
#
#    0 AMB  10-2:900    106 PHE  HN          5.00    (#    900:10  Single Ambig)
 &rst
  ixpk= 900, nxpk= 10, iat=  -1,1663, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1629,1685,
 &end
#
#    0 AMB  10-2:901    106 PHE  HN          3.00    (#    901:10  Single Ambig)
 &rst
  ixpk= 901, nxpk= 10, iat=  -1,1663, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1683,1653,
 &end
#
#    0 AMB  10-2:902    106 PHE  HN          5.00    (#    902:10  Single Ambig)
 &rst
  ixpk= 902, nxpk= 10, iat=  -1,1663, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1655,1700,
 &end
#
#  106 PHE  HA          106 PHE  HN          4.00    (#    903:10  Unique         2.91, 2.93 A)
 &rst
  ixpk= 903, nxpk= 10, iat=1665,1663, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  106 PHE  HB-         106 PHE  HN          3.00    (#    904:10  Unique         2.04, 2.92 A)
 &rst
  ixpk= 904, nxpk= 10, iat=  -1,1663, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1667,1668,
 &end
#
#  106 PHE  HB+         106 PHE  HN          3.00    (#    905:10  Unique         2.04, 2.92 A)
 &rst
  ixpk= 905, nxpk= 10, iat=  -1,1663, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1667,1668,
 &end
#
#  105 ALA  MB          106 PHE  HN          3.00    (#    906:10  Unique         2.21, 3.22 A)
 &rst
  ixpk= 906, nxpk= 10, iat=  -1,1663, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1657,1658,1659,
 &end
#
#   57 LYS  HB+          56 ASP  HN          5.00    (#    907:10  Unique         3.92, 4.85 A)
 &rst
  ixpk= 907, nxpk= 10, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 921, 922,
 &end
#
#   46 GLU  HG+          47 ALA  HN          5.00    (#    909:10  Unique         4.14, 4.65 A)
 &rst
  ixpk= 909, nxpk= 10, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 750, 751,
 &end
#
#   46 GLU  HN           47 ALA  HN          3.00    (#    910:10  Unique         2.29, 2.42 A)
 &rst
  ixpk= 910, nxpk= 10, iat= 743, 758, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 MET  HN           47 ALA  HN          3.00    (#    911:10  Unique         1.82, 2.15 A)
 &rst
  ixpk= 911, nxpk= 10, iat= 768, 758, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 ALA  HA           47 ALA  HN          3.00    (#    913:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 913, nxpk= 10, iat= 760, 758, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   46 GLU  HA           47 ALA  HN          4.00    (#    914:10  Unique         3.29, 3.37 A)
 &rst
  ixpk= 914, nxpk= 10, iat= 745, 758, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:915     47 ALA  HN          5.00    (#    915:10  Single Ambig)
 &rst
  ixpk= 915, nxpk= 10, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 772, 773, 750, 751, 806, 807,
 &end
#
#   46 GLU  HB-          47 ALA  HN          3.00    (#    916:10  Unique         2.98, 3.94 A)
 &rst
  ixpk= 916, nxpk= 10, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 747, 748,
 &end
#
#    0 AMB  10-2:917     47 ALA  HN          3.00    (#    917:10  Single Ambig)
 &rst
  ixpk= 917, nxpk= 10, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 747, 748,2081,2082,
 &end
#
#   47 ALA  MB           47 ALA  HN          3.00    (#    918:10  Unique         2.16, 3.04 A)
 &rst
  ixpk= 918, nxpk= 10, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 762, 763, 764,
 &end
#
#   62 LEU  HN           61 GLN  HN          3.00    (#    920:10  Unique         1.76, 1.87 A)
 &rst
  ixpk= 920, nxpk= 10, iat=1006, 989, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   60 ASP  HN           61 GLN  HN          3.00    (#    921:10  Unique         1.70, 1.95 A)
 &rst
  ixpk= 921, nxpk= 10, iat= 977, 989, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   60 ASP  HA           61 GLN  HN          4.00    (#    922:10  Unique         3.00, 3.42 A)
 &rst
  ixpk= 922, nxpk= 10, iat= 979, 989, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   61 GLN  HA           61 GLN  HN          3.00    (#    923:10  Unique         2.86, 2.91 A)
 &rst
  ixpk= 923, nxpk= 10, iat= 991, 989, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   60 ASP  HB+          61 GLN  HN          4.00    (#    924:10  Unique         3.00, 3.59 A)
 &rst
  ixpk= 924, nxpk= 10, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 981, 982,
 &end
#
#    0 AMB  10-2:925     61 GLN  HN          3.00    (#    925:10  Single Ambig)
 &rst
  ixpk= 925, nxpk= 10, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 996, 997, 993, 994,
 &end
#
#   61 GLN  HG-          61 GLN  HN          3.00    (#    926:10  Unique         1.92, 3.67 A)
 &rst
  ixpk= 926, nxpk= 10, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 996, 997,
 &end
#
#   61 GLN  HB-          61 GLN  HN          3.00    (#    927:10  Unique         2.39, 3.17 A)
 &rst
  ixpk= 927, nxpk= 10, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 993, 994,
 &end
#
#   57 LYS  HN           56 ASP  HN          3.00    (#    928:10  Unique         2.30, 2.54 A)
 &rst
  ixpk= 928, nxpk= 10, iat= 917, 905, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   55 ARG  HN           56 ASP  HN          4.00    (#    929:10  Unique         2.34, 2.65 A)
 &rst
  ixpk= 929, nxpk= 10, iat= 881, 905, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   55 ARG  HE           56 ASP  HN          5.00    (#    930:10  Unique         2.41, 4.75 A)
 &rst
  ixpk= 930, nxpk= 10, iat= 894, 905, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 ASP  HA           56 ASP  HN          3.00    (#    931:10  Unique         2.71, 2.80 A)
 &rst
  ixpk= 931, nxpk= 10, iat= 907, 905, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   52 ASN  HA           56 ASP  HN          6.00    (#    932:10  Unique         4.02, 5.04 A)
 &rst
  ixpk= 932, nxpk= 10, iat= 834, 905, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   53 GLU  HA           56 ASP  HN          4.00    (#    933:10  Unique         2.97, 3.46 A)
 &rst
  ixpk= 933, nxpk= 10, iat= 848, 905, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:934     56 ASP  HN          4.00    (#    934:10  Single Ambig)
 &rst
  ixpk= 934, nxpk= 10, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 883, 919,
 &end
#
#   56 ASP  HB+          56 ASP  HN          3.00    (#    935:10  Unique         2.00, 2.58 A)
 &rst
  ixpk= 935, nxpk= 10, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 909, 910,
 &end
#
#    0 AMB  10-2:936     56 ASP  HN          3.00    (#    936:10  Single Ambig)
 &rst
  ixpk= 936, nxpk= 10, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 885, 886, 909, 910,
 &end
#
#   55 ARG  HB+          56 ASP  HN          3.00    (#    937:10  Unique         1.95, 3.17 A)
 &rst
  ixpk= 937, nxpk= 10, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 885, 886,
 &end
#
#    0 AMB  10-2:938     56 ASP  HN          5.00    (#    938:10  Single Ambig)
 &rst
  ixpk= 938, nxpk= 10, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 939, 861, 846,
 &end
#
#   92 GLN  HN           91 THR  HN          3.00    (#    939:10  Unique         1.87, 2.09 A)
 &rst
  ixpk= 939, nxpk= 10, iat=1460,1446, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   18 ASN  HD2+         91 THR  HN          4.00    (#    940:10  Unique         3.40, 3.96 A)
 &rst
  ixpk= 940, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 302, 303,
 &end
#
#   91 THR  HA           91 THR  HN          4.00    (#    941:10  Unique         2.89, 2.93 A)
 &rst
  ixpk= 941, nxpk= 10, iat=1448,1446, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 ILE  HA           91 THR  HN          3.00    (#    942:10  Unique         2.20, 2.33 A)
 &rst
  ixpk= 942, nxpk= 10, iat=1429,1446, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 THR  MG2          91 THR  HN          3.00    (#    943:10  Unique         2.57, 3.76 A)
 &rst
  ixpk= 943, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1452,1453,1454,
 &end
#
#   90 ILE  QG2          91 THR  HN          4.00    (#    944:10  Unique         2.26, 4.25 A)
 &rst
  ixpk= 944, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1433,1434,1435,
 &end
#
#  116 VAL  HN          125 HIS  HN          4.00    (#    945:10  Unique         3.10, 3.34 A)
 &rst
  ixpk= 945, nxpk= 10, iat=1830,1981, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  126 PHE  HN          125 HIS  HN          5.00    (#    946:10  Unique         4.15, 4.33 A)
 &rst
  ixpk= 946, nxpk= 10, iat=1998,1981, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 HIS  HB-         125 HIS  HN          5.00    (#    947:10  Unique         2.81, 3.30 A)
 &rst
  ixpk= 947, nxpk= 10, iat=  -1,1981, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1985,1986,
 &end
#
#  123 LEU  HG          125 HIS  HN          4.00    (#    948:10  Unique         3.26, 3.92 A)
 &rst
  ixpk= 948, nxpk= 10, iat=1945,1981, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  124 ARG  HN          125 HIS  HN          3.00    (#    949:10  Unique         1.96, 2.34 A)
 &rst
  ixpk= 949, nxpk= 10, iat=1957,1981, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:950    125 HIS  HN          5.00    (#    950:10  Single Ambig)
 &rst
  ixpk= 950, nxpk= 10, iat=  -1,1981, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1848,2000,
 &end
#
#    0 AMB  10-2:951    125 HIS  HN          6.00    (#    951:10  Single Ambig)
 &rst
  ixpk= 951, nxpk= 10, iat=  -1,1981, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1832,1811,
 &end
#
#  123 LEU  HA          125 HIS  HN          4.00    (#    953:10  Unique         3.55, 3.84 A)
 &rst
  ixpk= 953, nxpk= 10, iat=1940,1981, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  125 HIS  HB+         125 HIS  HN          4.00    (#    954:10  Unique         2.81, 3.30 A)
 &rst
  ixpk= 954, nxpk= 10, iat=  -1,1981, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1985,1986,
 &end
#
#  116 VAL  HB          125 HIS  HN          4.00    (#    955:10  Unique         2.56, 3.28 A)
 &rst
  ixpk= 955, nxpk= 10, iat=1834,1981, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  124 ARG  HB+         125 HIS  HN          5.00    (#    956:10  Unique         2.33, 3.06 A)
 &rst
  ixpk= 956, nxpk= 10, iat=  -1,1981, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1961,1962,
 &end
#
#  124 ARG  HB-         125 HIS  HN          5.00    (#    957:10  Unique         2.33, 3.06 A)
 &rst
  ixpk= 957, nxpk= 10, iat=  -1,1981, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1961,1962,
 &end
#
#    0 AMB  10-2:958    125 HIS  HN          3.00    (#    958:10  Single Ambig)
 &rst
  ixpk= 958, nxpk= 10, iat=  -1,1981, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1836,1837,1838,1840,1841,1842,1947,1948,1949,1951,
      1952,1953,
 &end
#
#  123 LEU  MDY         125 HIS  HN          3.00    (#    959:10  Unique         1.98, 4.72 A)
 &rst
  ixpk= 959, nxpk= 10, iat=  -1,1981, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1947,1948,1949,1951,1952,1953,
 &end
#
#    0 AMB  10-2:960     76 LEU  HN          3.00    (#    960:10  Single Ambig)
 &rst
  ixpk= 960, nxpk= 10, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1238,1207,
 &end
#
#   76 LEU  HA           76 LEU  HN          3.00    (#    963:10  Unique         2.81, 2.90 A)
 &rst
  ixpk= 963, nxpk= 10, iat=1221,1219, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   76 LEU  HB+          76 LEU  HN          4.00    (#    964:10  Unique         2.04, 2.71 A)
 &rst
  ixpk= 964, nxpk= 10, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1223,1224,
 &end
#
#    0 AMB  10-2:965     76 LEU  HN          3.00    (#    965:10  Single Ambig)
 &rst
  ixpk= 965, nxpk= 10, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1226,1281,1282,
 &end
#
#   76 LEU  MDY          76 LEU  HN          3.00    (#    966:10  Unique         1.94, 5.03 A)
 &rst
  ixpk= 966, nxpk= 10, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1228,1229,1230,1232,1233,1234,
 &end
#
#   76 LEU  MDX          76 LEU  HN          3.00    (#    967:10  Unique         1.94, 5.03 A)
 &rst
  ixpk= 967, nxpk= 10, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1228,1229,1230,1232,1233,1234,
 &end
#
#   24 GLU  HN           25 GLN  HN          3.00    (#    968:10  Unique         2.19, 2.53 A)
 &rst
  ixpk= 968, nxpk= 10, iat= 383, 398, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   26 LEU  HN           25 GLN  HN          3.00    (#    969:10  Unique         1.89, 2.18 A)
 &rst
  ixpk= 969, nxpk= 10, iat= 415, 398, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   27 ILE  HN           25 GLN  HN          5.00    (#    970:10  Unique         3.53, 3.72 A)
 &rst
  ixpk= 970, nxpk= 10, iat= 434, 398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLN  HA           25 GLN  HN          3.00    (#    972:10  Unique         2.86, 2.91 A)
 &rst
  ixpk= 972, nxpk= 10, iat= 400, 398, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 GLU  HA           25 GLN  HN          4.00    (#    973:10  Unique         3.31, 3.35 A)
 &rst
  ixpk= 973, nxpk= 10, iat= 385, 398, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:974     25 GLN  HN          3.00    (#    974:10  Single Ambig)
 &rst
  ixpk= 974, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 390, 391, 405, 406,
 &end
#
#    0 AMB  10-2:975     25 GLN  HN          3.00    (#    975:10  Single Ambig)
 &rst
  ixpk= 975, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 402, 403, 390, 391,
 &end
#
#   25 GLN  HB+          25 GLN  HN          3.00    (#    976:10  Unique         2.31, 3.02 A)
 &rst
  ixpk= 976, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 402, 403,
 &end
#
#   24 GLU  HB+          25 GLN  HN          4.00    (#    977:10  Unique         4.16, 4.38 A)
 &rst
  ixpk= 977, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 387, 388,
 &end
#
#   26 LEU  HG           25 GLN  HN          4.00    (#    978:10  Unique         2.48, 2.92 A)
 &rst
  ixpk= 978, nxpk= 10, iat= 422, 398, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:979     25 GLN  HN          5.00    (#    979:10  Single Ambig)
 &rst
  ixpk= 979, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 424, 425, 426, 428, 429, 430, 335, 336, 337, 339,
       340, 341,
 &end
#
#    0 AMB  10-2:981    108 ASN  HD2-        3.00    (#    981:10  Single Ambig)
 &rst
  ixpk= 981, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1118,1119,1702,1703,
 igr2=1707,1708,
 &end
#
#  111 VAL  MGX         108 ASN  HD2-        6.00    (#    982:10  Unique         1.89, 4.36 A)
 &rst
  ixpk= 982, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1754,1755,1756,1758,1759,1760,
 igr2=1707,1708,
 &end
#
#  108 ASN  HB+         108 ASN  HD2+        5.00    (#    984:10  Unique         2.15, 3.55 A)
 &rst
  ixpk= 984, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1702,1703,
 igr2=1707,1708,
 &end
#
#    0 AMB  10-2:985      0 AMB  10-1:985    3.00    (#    985:10  Double Ambig)
 &rst
  ixpk= 985, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1118,1119,1702,1703,
 igr2=1707,1708,1707,1708,
 &end
#
#    8 PRO  HA            9 GLU  HN          3.00    (#    990:10  Unique         3.49, 3.53 A)
 &rst
  ixpk= 990, nxpk= 10, iat= 144, 148, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    9 GLU  HA            9 GLU  HN          3.00    (#    991:10  Unique         2.73, 2.86 A)
 &rst
  ixpk= 991, nxpk= 10, iat= 150, 148, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  103 THR  HB          108 ASN  HN          5.00    (#    992:10  Unique         3.12, 3.88 A)
 &rst
  ixpk= 992, nxpk= 10, iat=1631,1698, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 GLU  HG+           9 GLU  HN          3.00    (#    993:10  Unique         3.34, 4.01 A)
 &rst
  ixpk= 993, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 155, 156,
 &end
#
#    8 PRO  HB-           9 GLU  HN          3.00    (#    994:10  Unique         2.06, 3.12 A)
 &rst
  ixpk= 994, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 141, 142,
 &end
#
#    0 AMB  10-2:995      0 AMB  10-1:995    3.00    (#    995:10  Double Ambig)
 &rst
  ixpk= 995, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 152, 153,1687,1688,
 igr2= 148,1698,
 &end
#
#    9 GLU  HB+           9 GLU  HN          3.00    (#    996:10  Unique         2.62, 3.35 A)
 &rst
  ixpk= 996, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 152, 153,
 &end
#
#    0 AMB  10-2:997      0 AMB  10-1:997    3.00    (#    997:10  Double Ambig)
 &rst
  ixpk= 997, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 141, 142,1702,1703,
 igr2= 148,1698,
 &end
#
#   19 GLY  HN           20 GLU  HN          4.00    (#    998:10  Unique         2.50, 3.75 A)
 &rst
  ixpk= 998, nxpk= 10, iat= 307, 314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 GLY  HA-          20 GLU  HN          3.00    (#    999:10  Unique         2.20, 2.75 A)
 &rst
  ixpk= 999, nxpk= 10, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 309, 310,
 &end
#
#   19 GLY  HA+          20 GLU  HN          3.00    (#   1000:10  Unique         2.20, 2.75 A)
 &rst
  ixpk= 1000, nxpk= 10, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 309, 310,
 &end
#
#    0 AMB  10-2:1001    20 GLU  HN          3.00    (#   1001:10  Single Ambig)
 &rst
  ixpk= 1001, nxpk= 10, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1514,1515, 316,
 &end
#
#   20 GLU  HB+          20 GLU  HN          3.00    (#   1002:10  Unique         2.07, 3.07 A)
 &rst
  ixpk= 1002, nxpk= 10, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 318, 319,
 &end
#
#   20 GLU  HG-          20 GLU  HN          4.00    (#   1003:10  Unique         1.86, 3.58 A)
 &rst
  ixpk= 1003, nxpk= 10, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 321, 322,
 &end
#
#  106 PHE  HN          108 ASN  HN          6.00    (#   1004:10  Unique         3.16, 3.91 A)
 &rst
  ixpk= 1004, nxpk= 10, iat=1663,1698, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 LEU  HA            9 GLU  HN          5.00    (#   1008:10  Unique         3.92, 4.14 A)
 &rst
  ixpk= 1008, nxpk= 10, iat= 165, 148, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  108 ASN  HA          108 ASN  HN          3.00    (#   1009:10  Unique         2.17, 2.22 A)
 &rst
  ixpk= 1009, nxpk= 10, iat=1700,1698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  103 THR  HA          108 ASN  HN          3.00    (#   1010:10  Unique         1.64, 2.10 A)
 &rst
  ixpk= 1010, nxpk= 10, iat=1629,1698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  106 PHE  HB-         108 ASN  HN          5.00    (#   1011:10  Unique         2.42, 4.20 A)
 &rst
  ixpk= 1011, nxpk= 10, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1667,1668,
 &end
#
#  106 PHE  HB+         108 ASN  HN          5.00    (#   1012:10  Unique         2.42, 4.20 A)
 &rst
  ixpk= 1012, nxpk= 10, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1667,1668,
 &end
#
#  108 ASN  HB+         108 ASN  HN          3.00    (#   1013:10  Unique         2.31, 3.34 A)
 &rst
  ixpk= 1013, nxpk= 10, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1702,1703,
 &end
#
#  107 GLU  HB+         108 ASN  HN          4.00    (#   1014:10  Unique         3.94, 4.48 A)
 &rst
  ixpk= 1014, nxpk= 10, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1687,1688,
 &end
#
#  103 THR  MG2         108 ASN  HN          3.00    (#   1015:10  Unique         2.30, 3.74 A)
 &rst
  ixpk= 1015, nxpk= 10, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1633,1634,1635,
 &end
#
#   49 PRO  HA           50 GLN  HN          4.00    (#   1018:10  Unique         3.21, 3.32 A)
 &rst
  ixpk= 1018, nxpk= 10, iat= 795, 799, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   50 GLN  HA           50 GLN  HN          3.00    (#   1019:10  Unique         2.90, 2.90 A)
 &rst
  ixpk= 1019, nxpk= 10, iat= 801, 799, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   49 PRO  HD+          50 GLN  HN          4.00    (#   1020:10  Unique         2.38, 3.13 A)
 &rst
  ixpk= 1020, nxpk= 10, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 786, 787,
 &end
#
#   49 PRO  HD-          50 GLN  HN          4.00    (#   1021:10  Unique         2.38, 3.13 A)
 &rst
  ixpk= 1021, nxpk= 10, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 786, 787,
 &end
#
#    0 AMB  10-2:1022     0 AMB  10-1:1022   3.00    (#   1022:10  Double Ambig)
 &rst
  ixpk= 1022, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1514,1515, 803, 804,
 igr2= 314, 799,
 &end
#
#   52 ASN  HN           50 GLN  HN          5.00    (#   1025:10  Unique         3.04, 3.29 A)
 &rst
  ixpk= 1025, nxpk= 10, iat= 832, 799, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 ALA  HA           50 GLN  HN          4.00    (#   1026:10  Unique         3.11, 3.27 A)
 &rst
  ixpk= 1026, nxpk= 10, iat= 760, 799, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 MET  HA           50 GLN  HN          5.00    (#   1027:10  Unique         3.50, 3.72 A)
 &rst
  ixpk= 1027, nxpk= 10, iat= 770, 799, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1028    50 GLN  HN          4.00    (#   1028:10  Single Ambig)
 &rst
  ixpk= 1028, nxpk= 10, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 792, 793, 853, 854, 772, 773,
 &end
#
#    0 AMB  10-2:1029    50 GLN  HN          3.00    (#   1029:10  Single Ambig)
 &rst
  ixpk= 1029, nxpk= 10, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 806, 807, 803, 804,
 &end
#
#    0 AMB  10-2:1030    50 GLN  HN          3.00    (#   1030:10  Single Ambig)
 &rst
  ixpk= 1030, nxpk= 10, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 789, 790,2081,2082, 820,
 &end
#
#    0 AMB  10-2:1031     0 AMB  10-1:1031   4.00    (#   1031:10  Double Ambig)
 &rst
  ixpk= 1031, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 822, 823, 824, 826, 827, 828,1497,1498,1499,
 igr2= 799, 314,
 &end
#
#    0 AMB  10-2:1032    11 THR  HN          5.00    (#   1032:10  Single Ambig)
 &rst
  ixpk= 1032, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 186, 198, 199,
 &end
#
#   10 LEU  HA           11 THR  HN          3.00    (#   1033:10  Unique         2.25, 2.39 A)
 &rst
  ixpk= 1033, nxpk= 10, iat= 165, 182, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   11 THR  MG2          11 THR  HN          4.00    (#   1034:10  Unique         1.93, 3.03 A)
 &rst
  ixpk= 1034, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 188, 189, 190,
 &end
#
#  102 LEU  MDX          11 THR  HN          4.00    (#   1035:10  Unique         2.58, 5.19 A)
 &rst
  ixpk= 1035, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#   23 ARG  HN           24 GLU  HN          4.00    (#   1036:10  Unique         2.40, 2.69 A)
 &rst
  ixpk= 1036, nxpk= 10, iat= 359, 383, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 GLN  HN           24 GLU  HN          3.00    (#   1037:10  Unique         2.19, 2.53 A)
 &rst
  ixpk= 1037, nxpk= 10, iat= 398, 383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   22 THR  HB           24 GLU  HN          3.00    (#   1039:10  Unique         2.11, 2.40 A)
 &rst
  ixpk= 1039, nxpk= 10, iat= 349, 383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 GLU  HG-          24 GLU  HN          4.00    (#   1040:10  Unique         2.06, 2.79 A)
 &rst
  ixpk= 1040, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 390, 391,
 &end
#
#   24 GLU  HB-          24 GLU  HN          3.00    (#   1041:10  Unique         2.29, 3.03 A)
 &rst
  ixpk= 1041, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 387, 388,
 &end
#
#   24 GLU  HB+          24 GLU  HN          3.00    (#   1042:10  Unique         2.29, 3.03 A)
 &rst
  ixpk= 1042, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 387, 388,
 &end
#
#    0 AMB  10-2:1043    24 GLU  HN          3.00    (#   1043:10  Single Ambig)
 &rst
  ixpk= 1043, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 363, 364, 422,
 &end
#
#    0 AMB  10-2:1044    24 GLU  HN          5.00    (#   1044:10  Single Ambig)
 &rst
  ixpk= 1044, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 170, 121, 122, 333,
 &end
#
#   27 ILE  HG1-         24 GLU  HN          5.00    (#   1045:10  Unique         4.83, 5.89 A)
 &rst
  ixpk= 1045, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 444, 445,
 &end
#
#   24 GLU  HA           24 GLU  HN          3.00    (#   1046:10  Unique         2.75, 2.84 A)
 &rst
  ixpk= 1046, nxpk= 10, iat= 385, 383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   23 ARG  HA           24 GLU  HN          4.00    (#   1047:10  Unique         3.37, 3.47 A)
 &rst
  ixpk= 1047, nxpk= 10, iat= 361, 383, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 GLU  HG+          24 GLU  HN          3.00    (#   1048:10  Unique         2.06, 2.79 A)
 &rst
  ixpk= 1048, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 390, 391,
 &end
#
#   22 THR  MG2          24 GLU  HN          4.00    (#   1049:10  Unique         3.87, 4.89 A)
 &rst
  ixpk= 1049, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 351, 352, 353,
 &end
#
#    0 AMB  10-2:1050    24 GLU  HN          5.00    (#   1050:10  Single Ambig)
 &rst
  ixpk= 1050, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 424, 425, 426, 428, 429, 430, 447, 448, 449, 335,
       336, 337, 339, 340, 341,
 &end
#
#   57 LYS  HN           58 TYR  HN          3.00    (#   1054:10  Unique         1.98, 2.52 A)
 &rst
  ixpk= 1054, nxpk= 10, iat= 917, 939, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   59 GLN  HN           58 TYR  HN          3.00    (#   1055:10  Unique         1.89, 2.49 A)
 &rst
  ixpk= 1055, nxpk= 10, iat= 960, 939, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1057    58 TYR  HN          4.00    (#   1057:10  Single Ambig)
 &rst
  ixpk= 1057, nxpk= 10, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 863, 962,
 &end
#
#   58 TYR  HB-          58 TYR  HN          3.00    (#   1058:10  Unique         2.12, 3.05 A)
 &rst
  ixpk= 1058, nxpk= 10, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 943, 944,
 &end
#
#   58 TYR  HB+          58 TYR  HN          3.00    (#   1059:10  Unique         2.12, 3.05 A)
 &rst
  ixpk= 1059, nxpk= 10, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 943, 944,
 &end
#
#    0 AMB  10-2:1060    58 TYR  HN          4.00    (#   1060:10  Single Ambig)
 &rst
  ixpk= 1060, nxpk= 10, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 964, 965, 967, 968, 996, 997,
 &end
#
#   57 LYS  HB+          58 TYR  HN          3.00    (#   1061:10  Unique         2.16, 3.39 A)
 &rst
  ixpk= 1061, nxpk= 10, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 921, 922,
 &end
#
#   57 LYS  HG+          58 TYR  HN          4.00    (#   1062:10  Unique         2.07, 3.70 A)
 &rst
  ixpk= 1062, nxpk= 10, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 924, 925,
 &end
#
#   58 TYR  HA           58 TYR  HN          3.00    (#   1063:10  Unique         2.83, 2.92 A)
 &rst
  ixpk= 1063, nxpk= 10, iat= 941, 939, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1064    58 TYR  HN          5.00    (#   1064:10  Single Ambig)
 &rst
  ixpk= 1064, nxpk= 10, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1010,1011, 993, 994, 850, 851,
 &end
#
#   57 LYS  HG-          58 TYR  HN          5.00    (#   1065:10  Unique         2.07, 3.70 A)
 &rst
  ixpk= 1065, nxpk= 10, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 924, 925,
 &end
#
#  146 GLU  HN          147 THR  HN          3.00    (#   1067:10  Unique         1.84, 2.16 A)
 &rst
  ixpk= 1067, nxpk= 10, iat=2312,2327, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  147 THR  HA          147 THR  HN          3.00    (#   1070:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 1070, nxpk= 10, iat=2329,2327, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1071   147 THR  HN          4.00    (#   1071:10  Single Ambig)
 &rst
  ixpk= 1071, nxpk= 10, iat=  -1,2327, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2314,2304,
 &end
#
#  146 GLU  HB-         147 THR  HN          3.00    (#   1072:10  Unique         2.18, 3.23 A)
 &rst
  ixpk= 1072, nxpk= 10, iat=  -1,2327, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2316,2317,
 &end
#
#    0 AMB  10-2:1073   147 THR  HN          5.00    (#   1073:10  Single Ambig)
 &rst
  ixpk= 1073, nxpk= 10, iat=  -1,2327, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=2306,2307,2308,1961,1962,1885,1886,
 &end
#
#  147 THR  MG2         147 THR  HN          4.00    (#   1074:10  Unique         1.94, 3.26 A)
 &rst
  ixpk= 1074, nxpk= 10, iat=  -1,2327, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2333,2334,2335,
 &end
#
#    0 AMB  10-2:1075    58 TYR  HN          4.00    (#   1075:10  Single Ambig)
 &rst
  ixpk= 1075, nxpk= 10, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 883, 919,
 &end
#
#   57 LYS  HB-          58 TYR  HN          4.00    (#   1076:10  Unique         2.16, 3.39 A)
 &rst
  ixpk= 1076, nxpk= 10, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 921, 922,
 &end
#
#   91 THR  HA           18 ASN  HD2+        5.00    (#   1081:10  Unique         1.90, 3.04 A)
 &rst
  ixpk= 1081, nxpk= 10, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 302, 303,
 &end
#
#   18 ASN  HB-          18 ASN  HD2+        5.00    (#   1083:10  Unique         2.10, 3.12 A)
 &rst
  ixpk= 1083, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 297, 298,
 igr2= 302, 303,
 &end
#
#   18 ASN  HB+          18 ASN  HD2+        5.00    (#   1084:10  Unique         2.10, 3.12 A)
 &rst
  ixpk= 1084, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 297, 298,
 igr2= 302, 303,
 &end
#
#   18 ASN  HB+          18 ASN  HD2-        5.00    (#   1086:10  Unique         2.10, 3.12 A)
 &rst
  ixpk= 1086, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 297, 298,
 igr2= 302, 303,
 &end
#
#   94 ILE  QD1          18 ASN  HD2-        4.00    (#   1087:10  Unique         1.92, 3.97 A)
 &rst
  ixpk= 1087, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1504,1505,1506,
 igr2= 302, 303,
 &end
#
#   19 GLY  HN           18 ASN  HN          5.00    (#   1088:10  Unique         2.49, 3.05 A)
 &rst
  ixpk= 1088, nxpk= 10, iat= 307, 293, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LEU  HA           18 ASN  HN          3.00    (#   1089:10  Unique         2.18, 2.22 A)
 &rst
  ixpk= 1089, nxpk= 10, iat= 276, 293, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   18 ASN  HA           18 ASN  HN          3.00    (#   1090:10  Unique         2.17, 2.20 A)
 &rst
  ixpk= 1090, nxpk= 10, iat= 295, 293, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1091    18 ASN  HN          4.00    (#   1091:10  Single Ambig)
 &rst
  ixpk= 1091, nxpk= 10, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 278, 279, 281,1319,1320,
 &end
#
#   17 LEU  MDY          18 ASN  HN          5.00    (#   1092:10  Unique         2.89, 5.08 A)
 &rst
  ixpk= 1092, nxpk= 10, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#   85 ALA  HA           88 HIS  HN          5.00    (#   1094:10  Unique         2.75, 3.11 A)
 &rst
  ixpk= 1094, nxpk= 10, iat=1365,1398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 HIS  HB+          88 HIS  HN          3.00    (#   1095:10  Unique         2.21, 2.94 A)
 &rst
  ixpk= 1095, nxpk= 10, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1402,1403,
 &end
#
#   87 GLU  HN           88 HIS  HN          3.00    (#   1096:10  Unique         2.12, 2.27 A)
 &rst
  ixpk= 1096, nxpk= 10, iat=1383,1398, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   89 ASP  HN           88 HIS  HN          3.00    (#   1097:10  Unique         2.35, 2.87 A)
 &rst
  ixpk= 1097, nxpk= 10, iat=1415,1398, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 HIS  HA           88 HIS  HN          3.00    (#   1099:10  Unique         2.73, 2.82 A)
 &rst
  ixpk= 1099, nxpk= 10, iat=1400,1398, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1100    88 HIS  HN          4.00    (#   1100:10  Single Ambig)
 &rst
  ixpk= 1100, nxpk= 10, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1375,1417,
 &end
#
#   87 GLU  HA           88 HIS  HN          4.00    (#   1101:10  Unique         3.29, 3.40 A)
 &rst
  ixpk= 1101, nxpk= 10, iat=1385,1398, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 HIS  HB-          88 HIS  HN          3.00    (#   1102:10  Unique         2.21, 2.94 A)
 &rst
  ixpk= 1102, nxpk= 10, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1402,1403,
 &end
#
#   87 GLU  HB+          88 HIS  HN          4.00    (#   1103:10  Unique         3.00, 3.78 A)
 &rst
  ixpk= 1103, nxpk= 10, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1387,1388,
 &end
#
#    0 AMB  10-2:1104    88 HIS  HN          5.00    (#   1104:10  Single Ambig)
 &rst
  ixpk= 1104, nxpk= 10, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1377,1378,1379, 728, 729, 281, 278, 279,
 &end
#
#   87 GLU  HB-          88 HIS  HN          4.00    (#   1105:10  Unique         3.00, 3.78 A)
 &rst
  ixpk= 1105, nxpk= 10, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1387,1388,
 &end
#
#   91 THR  HA           18 ASN  HD2-        4.00    (#   1107:10  Unique         1.90, 3.04 A)
 &rst
  ixpk= 1107, nxpk= 10, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 302, 303,
 &end
#
#  101 ALA  HN          100 HIS  HN          5.00    (#   1108:10  Unique         3.03, 3.23 A)
 &rst
  ixpk= 1108, nxpk= 10, iat=1598,1581, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   99 ASP  HN          100 HIS  HN          3.00    (#   1110:10  Unique         2.01, 2.28 A)
 &rst
  ixpk= 1110, nxpk= 10, iat=1569,1581, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 HIS  HB+         100 HIS  HN          5.00    (#   1112:10  Unique         3.28, 3.72 A)
 &rst
  ixpk= 1112, nxpk= 10, iat=  -1,1581, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1585,1586,
 &end
#
#    3 LEU  MDY           4 ARG  HN          4.00    (#   1114:10  Unique         3.23, 5.36 A)
 &rst
  ixpk= 1114, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    5 GLN  HN            4 ARG  HN          4.00    (#   1115:10  Unique         1.63, 2.21 A)
 &rst
  ixpk= 1115, nxpk= 10, iat=  86,  62, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3 LEU  HA            4 ARG  HN          3.00    (#   1116:10  Unique         2.18, 2.30 A)
 &rst
  ixpk= 1116, nxpk= 10, iat=  45,  62, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    4 ARG  HA            4 ARG  HN          3.00    (#   1117:10  Unique         2.19, 2.26 A)
 &rst
  ixpk= 1117, nxpk= 10, iat=  64,  62, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1118     4 ARG  HN          5.00    (#   1118:10  Single Ambig)
 &rst
  ixpk= 1118, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  66,  67,1928,1929,  90,  91,
 &end
#
#  123 LEU  HB-           4 ARG  HN          4.00    (#   1119:10  Unique         2.20, 3.55 A)
 &rst
  ixpk= 1119, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1942,1943,
 &end
#
#    3 LEU  HB+           4 ARG  HN          5.00    (#   1120:10  Unique         2.64, 3.47 A)
 &rst
  ixpk= 1120, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  47,  48,
 &end
#
#    4 ARG  HG-           4 ARG  HN          4.00    (#   1121:10  Unique         2.74, 3.63 A)
 &rst
  ixpk= 1121, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  69,  70,
 &end
#
#    4 ARG  HG+           4 ARG  HN          4.00    (#   1122:10  Unique         2.74, 3.63 A)
 &rst
  ixpk= 1122, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  69,  70,
 &end
#
#    0 AMB  10-2:1123     4 ARG  HN          4.00    (#   1123:10  Single Ambig)
 &rst
  ixpk= 1123, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1942,1943,  47,  48,
 &end
#
#  117 PHE  HN           32 THR  HN          6.00    (#   1124:10  Unique         2.65, 3.07 A)
 &rst
  ixpk= 1124, nxpk= 10, iat=1846, 511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 THR  HG1          32 THR  HN          4.00    (#   1125:10  Unique         2.85, 3.59 A)
 &rst
  ixpk= 1125, nxpk= 10, iat= 521, 511, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 THR  HA           32 THR  HN          5.00    (#   1126:10  Unique         2.94, 2.95 A)
 &rst
  ixpk= 1126, nxpk= 10, iat= 513, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 PRO  HA           32 THR  HN          3.00    (#   1127:10  Unique         2.27, 2.34 A)
 &rst
  ixpk= 1127, nxpk= 10, iat= 507, 511, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   32 THR  HB           32 THR  HN          3.00    (#   1128:10  Unique         2.25, 2.45 A)
 &rst
  ixpk= 1128, nxpk= 10, iat= 515, 511, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  117 PHE  HB-          32 THR  HN          6.00    (#   1129:10  Unique         2.27, 3.25 A)
 &rst
  ixpk= 1129, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1850,1851,
 &end
#
#   31 PRO  HB-          32 THR  HN          4.00    (#   1130:10  Unique         2.77, 3.25 A)
 &rst
  ixpk= 1130, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 504, 505,
 &end
#
#   31 PRO  HB+          32 THR  HN          3.00    (#   1131:10  Unique         2.77, 3.25 A)
 &rst
  ixpk= 1131, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 504, 505,
 &end
#
#    0 AMB  10-2:1132    32 THR  HN          5.00    (#   1132:10  Single Ambig)
 &rst
  ixpk= 1132, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 517, 518, 519, 554, 555,
 &end
#
#    0 AMB  10-2:1133    32 THR  HN          4.00    (#   1133:10  Single Ambig)
 &rst
  ixpk= 1133, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1015,1016,1017,1019,1020,1021, 424, 425, 426, 428,
       429, 430,
 &end
#
#  100 HIS  HA          100 HIS  HN          3.00    (#   1135:10  Unique         2.20, 2.31 A)
 &rst
  ixpk= 1135, nxpk= 10, iat=1583,1581, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 HIS  HB-         100 HIS  HN          5.00    (#   1136:10  Unique         3.28, 3.72 A)
 &rst
  ixpk= 1136, nxpk= 10, iat=  -1,1581, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1585,1586,
 &end
#
#   71 ARG  HN           72 SER  HN          3.00    (#   1140:10  Unique         2.27, 2.64 A)
 &rst
  ixpk= 1140, nxpk= 10, iat=1145,1169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   75 ASP  HN           72 SER  HN          5.00    (#   1141:10  Unique         2.59, 3.20 A)
 &rst
  ixpk= 1141, nxpk= 10, iat=1207,1169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   72 SER  HA           72 SER  HN          3.00    (#   1143:10  Unique         2.87, 2.89 A)
 &rst
  ixpk= 1143, nxpk= 10, iat=1171,1169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   71 ARG  HA           72 SER  HN          4.00    (#   1144:10  Unique         3.23, 3.47 A)
 &rst
  ixpk= 1144, nxpk= 10, iat=1147,1169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1145    72 SER  HN          4.00    (#   1145:10  Single Ambig)
 &rst
  ixpk= 1145, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1173,1174, 658, 659,
 &end
#
#   72 SER  HB+          72 SER  HN          5.00    (#   1146:10  Unique         2.24, 3.08 A)
 &rst
  ixpk= 1146, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1173,1174,
 &end
#
#   75 ASP  HB+          72 SER  HN          4.00    (#   1147:10  Unique         2.16, 3.63 A)
 &rst
  ixpk= 1147, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1211,1212,
 &end
#
#   75 ASP  HB-          72 SER  HN          4.00    (#   1148:10  Unique         2.16, 3.63 A)
 &rst
  ixpk= 1148, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1211,1212,
 &end
#
#   70 PRO  HB-          72 SER  HN          4.00    (#   1149:10  Unique         3.97, 4.73 A)
 &rst
  ixpk= 1149, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1138,1139,
 &end
#
#   71 ARG  HB-          72 SER  HN          4.00    (#   1150:10  Unique         2.16, 3.46 A)
 &rst
  ixpk= 1150, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1149,1150,
 &end
#
#   71 ARG  HB+          72 SER  HN          4.00    (#   1151:10  Unique         2.16, 3.46 A)
 &rst
  ixpk= 1151, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1149,1150,
 &end
#
#    0 AMB  10-2:1159     5 GLN  HE2-        3.00    (#   1159:10  Single Ambig)
 &rst
  ixpk= 1159, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  11,  12,  93,  94,
 igr2=  98,  99,
 &end
#
#    1 MET  ME            5 GLN  HE2-        4.00    (#   1160:10  Unique         1.83, 3.64 A)
 &rst
  ixpk= 1160, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  15,  16,  17,
 igr2=  98,  99,
 &end
#
#    1 MET  HA            5 GLN  HE2+        6.00    (#   1166:10  Unique         1.88, 3.86 A)
 &rst
  ixpk= 1166, nxpk= 10, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  98,  99,
 &end
#
#    0 AMB  10-2:1167     0 AMB  10-1:1167   3.00    (#   1167:10  Double Ambig)
 &rst
  ixpk= 1167, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  11,  12,  93,  94,
 igr2=  98,  99,  98,  99,
 &end
#
#    1 MET  ME            5 GLN  HE2+        4.00    (#   1168:10  Unique         1.83, 3.64 A)
 &rst
  ixpk= 1168, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  15,  16,  17,
 igr2=  98,  99,
 &end
#
#    0 AMB  10-2:1175    50 GLN  HE2-        4.00    (#   1175:10  Single Ambig)
 &rst
  ixpk= 1175, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 747, 748, 853, 854,2159,2160,
 igr2= 811, 812,
 &end
#
#   50 GLN  HB+          50 GLN  HE2-        4.00    (#   1176:10  Unique         1.90, 4.04 A)
 &rst
  ixpk= 1176, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 803, 804,
 igr2= 811, 812,
 &end
#
#   47 ALA  HA           50 GLN  HE2+        5.00    (#   1180:10  Unique         1.94, 3.64 A)
 &rst
  ixpk= 1180, nxpk= 10, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 811, 812,
 &end
#
#    0 AMB  10-2:1181     0 AMB  10-1:1181   3.00    (#   1181:10  Double Ambig)
 &rst
  ixpk= 1181, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 803, 804, 806, 807, 789, 790,
 igr2= 811, 812, 811, 812, 811, 812,
 &end
#
#    0 AMB  10-2:1182     0 AMB  10-1:1182   5.00    (#   1182:10  Double Ambig)
 &rst
  ixpk= 1182, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 747, 748,2159,2160,
 igr2= 811, 812, 811, 812,
 &end
#
#   50 GLN  HB+          50 GLN  HE2+        6.00    (#   1183:10  Unique         1.90, 4.04 A)
 &rst
  ixpk= 1183, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 803, 804,
 igr2= 811, 812,
 &end
#
#   47 ALA  HA           50 GLN  HE2-        6.00    (#   1186:10  Unique         1.94, 3.64 A)
 &rst
  ixpk= 1186, nxpk= 10, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 811, 812,
 &end
#
#    0 AMB  10-2:1187    50 GLN  HE2-        3.00    (#   1187:10  Single Ambig)
 &rst
  ixpk= 1187, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 803, 804, 806, 807, 789, 790,
 igr2= 811, 812,
 &end
#
#   28 GLY  HA-          28 GLY  HN          3.00    (#   1197:10  Unique         2.31, 2.73 A)
 &rst
  ixpk= 1197, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 455, 456,
 &end
#
#   27 ILE  HA           28 GLY  HN          3.00    (#   1198:10  Unique         2.31, 2.50 A)
 &rst
  ixpk= 1198, nxpk= 10, iat= 436, 453, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  119 LYS  HA           28 GLY  HN          4.00    (#   1199:10  Unique         3.06, 3.79 A)
 &rst
  ixpk= 1199, nxpk= 10, iat=1880, 453, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 GLY  HA+          28 GLY  HN          3.00    (#   1200:10  Unique         2.31, 2.73 A)
 &rst
  ixpk= 1200, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 455, 456,
 &end
#
#   27 ILE  HB           28 GLY  HN          4.00    (#   1201:10  Unique         1.97, 3.48 A)
 &rst
  ixpk= 1201, nxpk= 10, iat= 438, 453, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 ILE  QG2          28 GLY  HN          3.00    (#   1202:10  Unique         1.85, 2.66 A)
 &rst
  ixpk= 1202, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 440, 441, 442,
 &end
#
#    0 AMB  10-2:1203    28 GLY  HN          5.00    (#   1203:10  Single Ambig)
 &rst
  ixpk= 1203, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 447, 448, 449, 424, 425, 426, 428, 429, 430,
 &end
#
#   45 LYS  HN           44 CYSS HN          3.00    (#   1204:10  Unique         2.15, 2.45 A)
 &rst
  ixpk= 1204, nxpk= 10, iat= 721, 711, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   41 CYSS HA           44 CYSS HN          5.00    (#   1206:10  Unique         3.96, 4.42 A)
 &rst
  ixpk= 1206, nxpk= 10, iat= 667, 711, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1207    44 CYSS HN          3.00    (#   1207:10  Single Ambig)
 &rst
  ixpk= 1207, nxpk= 10, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 715, 716, 713,
 &end
#
#   43 LEU  HA           44 CYSS HN          4.00    (#   1208:10  Unique         3.42, 3.52 A)
 &rst
  ixpk= 1208, nxpk= 10, iat= 694, 711, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1209    44 CYSS HN          6.00    (#   1209:10  Single Ambig)
 &rst
  ixpk= 1209, nxpk= 10, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 604, 605,2047,2048,
 &end
#
#   44 CYSS HB+          44 CYSS HN          3.00    (#   1210:10  Unique         2.07, 2.82 A)
 &rst
  ixpk= 1210, nxpk= 10, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 715, 716,
 &end
#
#   43 LEU  HB-          44 CYSS HN          4.00    (#   1211:10  Unique         2.78, 3.53 A)
 &rst
  ixpk= 1211, nxpk= 10, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 696, 697,
 &end
#
#   45 LYS  HD-          44 CYSS HN          6.00    (#   1212:10  Unique         3.43, 5.04 A)
 &rst
  ixpk= 1212, nxpk= 10, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 731, 732,
 &end
#
#   43 LEU  HB+          44 CYSS HN          4.00    (#   1213:10  Unique         2.78, 3.53 A)
 &rst
  ixpk= 1213, nxpk= 10, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 696, 697,
 &end
#
#    0 AMB  10-2:1215    44 CYSS HN          5.00    (#   1215:10  Single Ambig)
 &rst
  ixpk= 1215, nxpk= 10, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1765,1766, 679, 680,
 &end
#
#   45 LYS  HB+          44 CYSS HN          5.00    (#   1216:10  Unique         3.97, 5.18 A)
 &rst
  ixpk= 1216, nxpk= 10, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 725, 726,
 &end
#
#   40 SER  HA           40 SER  HN          4.00    (#   1220:10  Unique         2.83, 2.89 A)
 &rst
  ixpk= 1220, nxpk= 10, iat= 656, 654, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1221    40 SER  HN          4.00    (#   1221:10  Single Ambig)
 &rst
  ixpk= 1221, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 658, 659, 637,
 &end
#
#   62 LEU  HN           59 GLN  HE2-        6.00    (#   1224:10  Unique         4.72, 5.45 A)
 &rst
  ixpk= 1224, nxpk= 10, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 972, 973,
 &end
#
#   61 GLN  HE2+         59 GLN  HE2-        3.00    (#   1225:10  Unique         6.70, 9.19 A)
 &rst
  ixpk= 1225, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1001,1002,
 igr2= 972, 973,
 &end
#
#   56 ASP  HA           59 GLN  HE2-        4.00    (#   1230:10  Unique         3.40, 4.51 A)
 &rst
  ixpk= 1230, nxpk= 10, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 972, 973,
 &end
#
#   59 GLN  HG+          59 GLN  HE2-        3.00    (#   1231:10  Unique         2.34, 3.51 A)
 &rst
  ixpk= 1231, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 967, 968,
 igr2= 972, 973,
 &end
#
#    0 AMB  10-2:1232    59 GLN  HE2-        4.00    (#   1232:10  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 964, 965, 967, 968,
 igr2= 972, 973,
 &end
#
#   59 GLN  HB-          59 GLN  HE2-        6.00    (#   1233:10  Unique         1.76, 3.70 A)
 &rst
  ixpk= 1233, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 964, 965,
 igr2= 972, 973,
 &end
#
#   56 ASP  HA           59 GLN  HE2+        5.00    (#   1238:10  Unique         3.40, 4.51 A)
 &rst
  ixpk= 1238, nxpk= 10, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 972, 973,
 &end
#
#   59 GLN  HG+          59 GLN  HE2+        4.00    (#   1239:10  Unique         2.34, 3.51 A)
 &rst
  ixpk= 1239, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 967, 968,
 igr2= 972, 973,
 &end
#
#    0 AMB  10-2:1240     0 AMB  10-1:1240   5.00    (#   1240:10  Double Ambig)
 &rst
  ixpk= 1240, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 964, 965, 967, 968,
 igr2= 972, 973, 972, 973,
 &end
#
#  110 TYR  HN          111 VAL  HN          5.00    (#   1241:10  Unique         1.78, 2.55 A)
 &rst
  ixpk= 1241, nxpk= 10, iat=1727,1748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 TYR  HD           61 GLN  HE2+        3.00    (#   1244:10  Unique         3.08, 6.14 A)
 &rst
  ixpk= 1244, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 947, 956,
 igr2=1001,1002,
 &end
#
#   58 TYR  HA           61 GLN  HE2+        5.00    (#   1246:10  Unique         2.42, 3.87 A)
 &rst
  ixpk= 1246, nxpk= 10, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1001,1002,
 &end
#
#   61 GLN  HG+          61 GLN  HE2+        3.00    (#   1248:10  Unique         2.10, 3.39 A)
 &rst
  ixpk= 1248, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 996, 997,
 igr2=1001,1002,
 &end
#
#   61 GLN  HG-          61 GLN  HE2+        3.00    (#   1249:10  Unique         2.10, 3.39 A)
 &rst
  ixpk= 1249, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 996, 997,
 igr2=1001,1002,
 &end
#
#   61 GLN  HB-          61 GLN  HE2+        5.00    (#   1250:10  Unique         1.95, 3.60 A)
 &rst
  ixpk= 1250, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 993, 994,
 igr2=1001,1002,
 &end
#
#  144 LEU  MDX          61 GLN  HE2+        6.00    (#   1251:10  Unique         3.41, 6.38 A)
 &rst
  ixpk= 1251, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2292,2293,2294,2296,2297,2298,
 igr2=1001,1002,
 &end
#
#  144 LEU  MDY          61 GLN  HE2+        6.00    (#   1252:10  Unique         3.41, 6.38 A)
 &rst
  ixpk= 1252, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2292,2293,2294,2296,2297,2298,
 igr2=1001,1002,
 &end
#
#   59 GLN  HE2-         61 GLN  HE2-        3.00    (#   1254:10  Unique         6.70, 9.19 A)
 &rst
  ixpk= 1254, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 972, 973,
 igr2=1001,1002,
 &end
#
#   61 GLN  HG+          61 GLN  HE2-        4.00    (#   1257:10  Unique         2.10, 3.39 A)
 &rst
  ixpk= 1257, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 996, 997,
 igr2=1001,1002,
 &end
#
#   61 GLN  HG-          61 GLN  HE2-        3.00    (#   1258:10  Unique         2.10, 3.39 A)
 &rst
  ixpk= 1258, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 996, 997,
 igr2=1001,1002,
 &end
#
#  144 LEU  MDY          61 GLN  HE2-        6.00    (#   1259:10  Unique         3.41, 6.38 A)
 &rst
  ixpk= 1259, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2292,2293,2294,2296,2297,2298,
 igr2=1001,1002,
 &end
#
#  110 TYR  HD          111 VAL  HN          4.00    (#   1260:10  Unique         1.50, 4.08 A)
 &rst
  ixpk= 1260, nxpk= 10, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1735,1744,
 &end
#
#  110 TYR  HA          111 VAL  HN          3.00    (#   1261:10  Unique         2.53, 3.11 A)
 &rst
  ixpk= 1261, nxpk= 10, iat=1729,1748, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  111 VAL  HA          111 VAL  HN          3.00    (#   1262:10  Unique         2.21, 2.72 A)
 &rst
  ixpk= 1262, nxpk= 10, iat=1750,1748, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  110 TYR  HB-         111 VAL  HN          3.00    (#   1263:10  Unique         1.47, 3.94 A)
 &rst
  ixpk= 1263, nxpk= 10, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1731,1732,
 &end
#
#  110 TYR  HB+         111 VAL  HN          3.00    (#   1264:10  Unique         1.47, 3.94 A)
 &rst
  ixpk= 1264, nxpk= 10, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1731,1732,
 &end
#
#  111 VAL  HB          111 VAL  HN          5.00    (#   1265:10  Unique         2.29, 2.93 A)
 &rst
  ixpk= 1265, nxpk= 10, iat=1752,1748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  111 VAL  MGY         111 VAL  HN          3.00    (#   1266:10  Unique         1.85, 3.95 A)
 &rst
  ixpk= 1266, nxpk= 10, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1754,1755,1756,1758,1759,1760,
 &end
#
#  111 VAL  MGX         111 VAL  HN          4.00    (#   1267:10  Unique         1.85, 3.95 A)
 &rst
  ixpk= 1267, nxpk= 10, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1754,1755,1756,1758,1759,1760,
 &end
#
#   59 GLN  HE2-         61 GLN  HE2+        4.00    (#   1268:10  Unique         6.70, 9.19 A)
 &rst
  ixpk= 1268, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 972, 973,
 igr2=1001,1002,
 &end
#
#   21 VAL  HA           22 THR  HN          3.00    (#   1272:10  Unique         2.36, 2.60 A)
 &rst
  ixpk= 1272, nxpk= 10, iat= 331, 345, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 GLN  HG-          22 THR  HN          5.00    (#   1273:10  Unique         2.96, 4.46 A)
 &rst
  ixpk= 1273, nxpk= 10, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 405, 406,
 &end
#
#   25 GLN  HB-          22 THR  HN          3.00    (#   1274:10  Unique         1.87, 3.23 A)
 &rst
  ixpk= 1274, nxpk= 10, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 402, 403,
 &end
#
#   25 GLN  HB+          22 THR  HN          4.00    (#   1275:10  Unique         1.87, 3.23 A)
 &rst
  ixpk= 1275, nxpk= 10, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 402, 403,
 &end
#
#   21 VAL  HB           22 THR  HN          3.00    (#   1276:10  Unique         1.97, 3.02 A)
 &rst
  ixpk= 1276, nxpk= 10, iat= 333, 345, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   22 THR  MG2          22 THR  HN          3.00    (#   1277:10  Unique         3.19, 4.01 A)
 &rst
  ixpk= 1277, nxpk= 10, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 351, 352, 353,
 &end
#
#   21 VAL  MGX          22 THR  HN          3.00    (#   1278:10  Unique         1.92, 3.78 A)
 &rst
  ixpk= 1278, nxpk= 10, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  10-2:1283    25 GLN  HE2-        3.00    (#   1283:10  Single Ambig)
 &rst
  ixpk= 1283, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 390, 391, 405, 406,
 igr2= 410, 411,
 &end
#
#   22 THR  MG2          25 GLN  HE2-        6.00    (#   1284:10  Unique         4.46, 6.49 A)
 &rst
  ixpk= 1284, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 351, 352, 353,
 igr2= 410, 411,
 &end
#
#    0 AMB  10-2:1288     0 AMB  10-1:1288   3.00    (#   1288:10  Double Ambig)
 &rst
  ixpk= 1288, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 390, 391, 405, 406,
 igr2= 410, 411, 410, 411,
 &end
#
#  119 LYS  HN          120 THR  HN          4.00    (#   1289:10  Unique         2.68, 2.85 A)
 &rst
  ixpk= 1289, nxpk= 10, iat=1878,1900, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  121 GLY  HN          120 THR  HN          3.00    (#   1290:10  Unique         1.68, 2.23 A)
 &rst
  ixpk= 1290, nxpk= 10, iat=1914,1900, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  122 GLN  HN          120 THR  HN          5.00    (#   1291:10  Unique         3.09, 3.42 A)
 &rst
  ixpk= 1291, nxpk= 10, iat=1921,1900, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  120 THR  HA          120 THR  HN          3.00    (#   1293:10  Unique         2.90, 2.93 A)
 &rst
  ixpk= 1293, nxpk= 10, iat=1902,1900, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  120 THR  HB          120 THR  HN          4.00    (#   1294:10  Unique         2.17, 2.49 A)
 &rst
  ixpk= 1294, nxpk= 10, iat=1904,1900, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  119 LYS  HA          120 THR  HN          4.00    (#   1295:10  Unique         2.85, 3.23 A)
 &rst
  ixpk= 1295, nxpk= 10, iat=1880,1900, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  121 GLY  HA+         120 THR  HN          5.00    (#   1296:10  Unique         3.94, 4.64 A)
 &rst
  ixpk= 1296, nxpk= 10, iat=  -1,1900, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1916,1917,
 &end
#
#  119 LYS  HG+         120 THR  HN          4.00    (#   1297:10  Unique         2.61, 3.93 A)
 &rst
  ixpk= 1297, nxpk= 10, iat=  -1,1900, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1885,1886,
 &end
#
#  120 THR  MG2         120 THR  HN          3.00    (#   1298:10  Unique         2.28, 3.51 A)
 &rst
  ixpk= 1298, nxpk= 10, iat=  -1,1900, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1906,1907,1908,
 &end
#
#  119 LYS  HG-         120 THR  HN          4.00    (#   1299:10  Unique         2.61, 3.93 A)
 &rst
  ixpk= 1299, nxpk= 10, iat=  -1,1900, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1885,1886,
 &end
#
#  141 ASN  HN          141 ASN  HD2+        5.00    (#   1300:10  Unique         1.85, 3.26 A)
 &rst
  ixpk= 1300, nxpk= 10, iat=2229,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2238,2239,
 &end
#
#  141 ASN  HA          141 ASN  HD2+        5.00    (#   1304:10  Unique         1.93, 4.29 A)
 &rst
  ixpk= 1304, nxpk= 10, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2238,2239,
 &end
#
#  138 LYS  HA          141 ASN  HD2+        4.00    (#   1305:10  Unique         1.87, 3.33 A)
 &rst
  ixpk= 1305, nxpk= 10, iat=2169,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2238,2239,
 &end
#
#  141 ASN  HB-         141 ASN  HD2+        3.00    (#   1306:10  Unique         2.12, 3.28 A)
 &rst
  ixpk= 1306, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2233,2234,
 igr2=2238,2239,
 &end
#
#  141 ASN  HB+         141 ASN  HD2+        3.00    (#   1307:10  Unique         2.12, 3.28 A)
 &rst
  ixpk= 1307, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2233,2234,
 igr2=2238,2239,
 &end
#
#  137 GLU  HG-         141 ASN  HD2+        4.00    (#   1308:10  Unique         2.50, 5.77 A)
 &rst
  ixpk= 1308, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2159,2160,
 igr2=2238,2239,
 &end
#
#  137 GLU  HG+         141 ASN  HD2+        4.00    (#   1309:10  Unique         2.50, 5.77 A)
 &rst
  ixpk= 1309, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2159,2160,
 igr2=2238,2239,
 &end
#
#  141 ASN  HB-         141 ASN  HD2-        4.00    (#   1316:10  Unique         2.12, 3.28 A)
 &rst
  ixpk= 1316, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2233,2234,
 igr2=2238,2239,
 &end
#
#  141 ASN  HA          141 ASN  HD2-        6.00    (#   1321:10  Unique         1.93, 4.29 A)
 &rst
  ixpk= 1321, nxpk= 10, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2238,2239,
 &end
#
#  141 ASN  HB+         141 ASN  HD2-        4.00    (#   1322:10  Unique         2.12, 3.28 A)
 &rst
  ixpk= 1322, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2233,2234,
 igr2=2238,2239,
 &end
#
#  137 GLU  HG-         141 ASN  HD2-        4.00    (#   1323:10  Unique         2.50, 5.77 A)
 &rst
  ixpk= 1323, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2159,2160,
 igr2=2238,2239,
 &end
#
#  137 GLU  HG+         141 ASN  HD2-        4.00    (#   1324:10  Unique         2.50, 5.77 A)
 &rst
  ixpk= 1324, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2159,2160,
 igr2=2238,2239,
 &end
#
#    0 AMB  10-2:1326     0 AMB  10-1:1326   3.00    (#   1326:10  Double Ambig)
 &rst
  ixpk= 1326, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1925,1926,1928,1929,
 igr2=1933,1934,1933,1934,
 &end
#
#  122 GLN  HG-         122 GLN  HE2+        4.00    (#   1331:10  Unique         2.10, 3.24 A)
 &rst
  ixpk= 1331, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1928,1929,
 igr2=1933,1934,
 &end
#
#  122 GLN  HB+         122 GLN  HE2+        5.00    (#   1332:10  Unique         1.91, 4.02 A)
 &rst
  ixpk= 1332, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1925,1926,
 igr2=1933,1934,
 &end
#
#    0 AMB  10-2:1333     0 AMB  10-1:1333   5.00    (#   1333:10  Double Ambig)
 &rst
  ixpk= 1333, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 758,1854,1862,
 igr2= 624,1933,1934,
 &end
#
#   37 TRP  HA           38 SER  HN          3.00    (#   1334:10  Unique         2.45, 2.51 A)
 &rst
  ixpk= 1334, nxpk= 10, iat= 602, 624, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   44 CYSS HB-          38 SER  HN          5.00    (#   1336:10  Unique         1.94, 2.76 A)
 &rst
  ixpk= 1336, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 715, 716,
 &end
#
#   38 SER  HA           38 SER  HN          4.00    (#   1337:10  Unique         2.85, 2.86 A)
 &rst
  ixpk= 1337, nxpk= 10, iat= 626, 624, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   37 TRP  HB+          38 SER  HN          3.00    (#   1338:10  Unique         2.37, 3.07 A)
 &rst
  ixpk= 1338, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 604, 605,
 &end
#
#    0 AMB  10-2:1339     0 AMB  10-1:1339   4.00    (#   1339:10  Double Ambig)
 &rst
  ixpk= 1339, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1870,1871, 628, 629,
 igr2=1933,1934, 624,
 &end
#
#    0 AMB  10-2:1340    38 SER  HN          4.00    (#   1340:10  Single Ambig)
 &rst
  ixpk= 1340, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 715, 716, 604, 605,
 &end
#
#  122 GLN  HG-         122 GLN  HE2-        5.00    (#   1342:10  Unique         2.10, 3.24 A)
 &rst
  ixpk= 1342, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1928,1929,
 igr2=1933,1934,
 &end
#
#    0 AMB  10-2:1343   122 GLN  HE2-        4.00    (#   1343:10  Single Ambig)
 &rst
  ixpk= 1343, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1925,1926,1928,1929,
 igr2=1933,1934,
 &end
#
#   11 THR  HA           12 GLY  HN          3.00    (#   1344:10  Unique         2.16, 2.27 A)
 &rst
  ixpk= 1344, nxpk= 10, iat= 184, 196, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   12 GLY  HA-          12 GLY  HN          3.00    (#   1346:10  Unique         2.26, 2.72 A)
 &rst
  ixpk= 1346, nxpk= 10, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 198, 199,
 &end
#
#   12 GLY  HA+          12 GLY  HN          3.00    (#   1347:10  Unique         2.26, 2.72 A)
 &rst
  ixpk= 1347, nxpk= 10, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 198, 199,
 &end
#
#    0 AMB  10-2:1348    12 GLY  HN          4.00    (#   1348:10  Single Ambig)
 &rst
  ixpk= 1348, nxpk= 10, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 188, 189, 190, 318, 319,
 &end
#
#  120 THR  HN          121 GLY  HN          3.00    (#   1352:10  Unique         1.68, 2.23 A)
 &rst
  ixpk= 1352, nxpk= 10, iat=1900,1914, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  122 GLN  HN          121 GLY  HN          3.00    (#   1353:10  Unique         2.16, 2.54 A)
 &rst
  ixpk= 1353, nxpk= 10, iat=1921,1914, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  120 THR  HA          121 GLY  HN          4.00    (#   1355:10  Unique         3.09, 3.29 A)
 &rst
  ixpk= 1355, nxpk= 10, iat=1902,1914, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  120 THR  HB          121 GLY  HN          6.00    (#   1356:10  Unique         3.76, 4.17 A)
 &rst
  ixpk= 1356, nxpk= 10, iat=1904,1914, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  121 GLY  HA-         121 GLY  HN          3.00    (#   1357:10  Unique         2.25, 2.56 A)
 &rst
  ixpk= 1357, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1916,1917,
 &end
#
#  121 GLY  HA+         121 GLY  HN          3.00    (#   1358:10  Unique         2.25, 2.56 A)
 &rst
  ixpk= 1358, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1916,1917,
 &end
#
#  120 THR  MG2         121 GLY  HN          5.00    (#   1359:10  Unique         2.19, 4.14 A)
 &rst
  ixpk= 1359, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1906,1907,1908,
 &end
#
#   27 ILE  QG2         121 GLY  HN          6.00    (#   1360:10  Unique         2.17, 3.57 A)
 &rst
  ixpk= 1360, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 440, 441, 442,
 &end
#
#   27 ILE  QD1         121 GLY  HN          6.00    (#   1361:10  Unique         2.74, 4.16 A)
 &rst
  ixpk= 1361, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 447, 448, 449,
 &end
#
#   18 ASN  HN           19 GLY  HN          3.00    (#   1363:10  Unique         2.49, 3.05 A)
 &rst
  ixpk= 1363, nxpk= 10, iat= 293, 307, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   20 GLU  HN           19 GLY  HN          4.00    (#   1365:10  Unique         2.50, 3.75 A)
 &rst
  ixpk= 1365, nxpk= 10, iat= 314, 307, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 LEU  HA           19 GLY  HN          4.00    (#   1366:10  Unique         3.42, 3.82 A)
 &rst
  ixpk= 1366, nxpk= 10, iat= 276, 307, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN  HA           19 GLY  HN          3.00    (#   1368:10  Unique         3.16, 3.53 A)
 &rst
  ixpk= 1368, nxpk= 10, iat= 295, 307, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   19 GLY  HA-          19 GLY  HN          3.00    (#   1369:10  Unique         2.37, 2.76 A)
 &rst
  ixpk= 1369, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 309, 310,
 &end
#
#    0 AMB  10-2:1370    19 GLY  HN          3.00    (#   1370:10  Single Ambig)
 &rst
  ixpk= 1370, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 309, 310, 297, 298,
 &end
#
#    0 AMB  10-2:1371    19 GLY  HN          4.00    (#   1371:10  Single Ambig)
 &rst
  ixpk= 1371, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 297, 298, 254, 255,
 &end
#
#   78 PRO  HA           79 GLY  HN          4.00    (#   1377:10  Unique         2.87, 3.17 A)
 &rst
  ixpk= 1377, nxpk= 10, iat=1260,1264, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   31 PRO  HA          119 LYS  HN          4.00    (#   1385:10  Unique         3.03, 3.16 A)
 &rst
  ixpk= 1385, nxpk= 10, iat= 507,1878, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  119 LYS  HA           28 GLY  HN          4.00    (#   1395:10  Unique         3.06, 3.79 A)
 &rst
  ixpk= 1395, nxpk= 10, iat=1880, 453, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1398   120 THR  HN          4.00    (#   1398:10  Single Ambig)
 &rst
  ixpk= 1398, nxpk= 10, iat=  -1,1900, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1882,1883,1925,1926,
 &end
#
#   90 ILE  QD1          88 HIS  HN          4.00    (#   1400:10  Unique         3.54, 5.33 A)
 &rst
  ixpk= 1400, nxpk= 10, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1440,1441,1442,
 &end
#
#   90 ILE  HN           88 HIS  HN          4.00    (#   1401:10  Unique         3.99, 4.44 A)
 &rst
  ixpk= 1401, nxpk= 10, iat=1427,1398, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 LYS  HN           79 GLY  HN          3.00    (#   1403:10  Unique         2.13, 2.19 A)
 &rst
  ixpk= 1403, nxpk= 10, iat=1271,1264, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   78 PRO  HD+          79 GLY  HN          5.00    (#   1405:10  Unique         2.63, 3.42 A)
 &rst
  ixpk= 1405, nxpk= 10, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1251,1252,
 &end
#
#   79 GLY  HA-          79 GLY  HN          3.00    (#   1406:10  Unique         2.28, 2.62 A)
 &rst
  ixpk= 1406, nxpk= 10, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1266,1267,
 &end
#
#    0 AMB  10-2:1407    79 GLY  HN          3.00    (#   1407:10  Single Ambig)
 &rst
  ixpk= 1407, nxpk= 10, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1266,1267,1251,1252,
 &end
#
#   78 PRO  HG+          79 GLY  HN          4.00    (#   1408:10  Unique         3.75, 4.47 A)
 &rst
  ixpk= 1408, nxpk= 10, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1254,1255,
 &end
#
#   78 PRO  HB+          79 GLY  HN          4.00    (#   1409:10  Unique         3.97, 4.39 A)
 &rst
  ixpk= 1409, nxpk= 10, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1257,1258,
 &end
#
#    0 AMB  10-2:1410    79 GLY  HN          4.00    (#   1410:10  Single Ambig)
 &rst
  ixpk= 1410, nxpk= 10, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1254,1255,1275,1276,
 &end
#
#   80 LYS  HA           79 GLY  HN          5.00    (#   1411:10  Unique         4.80, 4.85 A)
 &rst
  ixpk= 1411, nxpk= 10, iat=1273,1264, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 ASN  HB+          52 ASN  HD2+        3.00    (#   1419:10  Unique         2.13, 3.33 A)
 &rst
  ixpk= 1419, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 836, 837,
 igr2= 841, 842,
 &end
#
#   49 PRO  HA           52 ASN  HD2+        5.00    (#   1428:10  Unique         1.85, 3.11 A)
 &rst
  ixpk= 1428, nxpk= 10, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 841, 842,
 &end
#
#    0 AMB  10-2:1433   129 GLY  HN          3.00    (#   1433:10  Single Ambig)
 &rst
  ixpk= 1433, nxpk= 10, iat=  -1,2045, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2037,1780,
 &end
#
#  129 GLY  HA+         129 GLY  HN          3.00    (#   1435:10  Unique         2.25, 2.65 A)
 &rst
  ixpk= 1435, nxpk= 10, iat=  -1,2045, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2047,2048,
 &end
#
#  129 GLY  HA-         129 GLY  HN          3.00    (#   1436:10  Unique         2.25, 2.65 A)
 &rst
  ixpk= 1436, nxpk= 10, iat=  -1,2045, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2047,2048,
 &end
#
#  112 PRO  HD+         129 GLY  HN          5.00    (#   1437:10  Unique         3.52, 5.24 A)
 &rst
  ixpk= 1437, nxpk= 10, iat=  -1,2045, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1765,1766,
 &end
#
#  128 ALA  MB          129 GLY  HN          3.00    (#   1438:10  Unique         2.56, 3.86 A)
 &rst
  ixpk= 1438, nxpk= 10, iat=  -1,2045, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2039,2040,2041,
 &end
#
#   67 VAL  HA           95 PHE  HN          4.00    (#   1439:10  Unique         1.95, 2.36 A)
 &rst
  ixpk= 1439, nxpk= 10, iat=1083,1510, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 PHE  HB+          95 PHE  HN          5.00    (#   1440:10  Unique         2.36, 3.12 A)
 &rst
  ixpk= 1440, nxpk= 10, iat=  -1,1510, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1514,1515,
 &end
#
#   95 PHE  HA           95 PHE  HN          6.00    (#   1441:10  Unique         2.90, 2.93 A)
 &rst
  ixpk= 1441, nxpk= 10, iat=1512,1510, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   95 PHE  HB-          95 PHE  HN          4.00    (#   1442:10  Unique         2.36, 3.12 A)
 &rst
  ixpk= 1442, nxpk= 10, iat=  -1,1510, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1514,1515,
 &end
#
#   66 ALA  MB           95 PHE  HN          6.00    (#   1443:10  Unique         4.20, 5.32 A)
 &rst
  ixpk= 1443, nxpk= 10, iat=  -1,1510, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1075,1076,1077,
 &end
#
#    0 AMB  10-2:1444    95 PHE  HN          6.00    (#   1444:10  Single Ambig)
 &rst
  ixpk= 1444, nxpk= 10, iat=  -1,1510, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1061,1062,1063,1065,1066,1067,1504,1505,1506,
 &end
#
#   67 VAL  MGY          95 PHE  HN          6.00    (#   1445:10  Unique         2.52, 4.58 A)
 &rst
  ixpk= 1445, nxpk= 10, iat=  -1,1510, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1087,1088,1089,1091,1092,1093,
 &end
#
#   67 VAL  MGX          95 PHE  HN          6.00    (#   1446:10  Unique         2.52, 4.58 A)
 &rst
  ixpk= 1446, nxpk= 10, iat=  -1,1510, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1087,1088,1089,1091,1092,1093,
 &end
#
#   96 VAL  HA           96 VAL  HN          6.00    (#   1447:10  Unique         2.86, 2.93 A)
 &rst
  ixpk= 1447, nxpk= 10, iat=1532,1530, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 TRP  HA           96 VAL  HN          6.00    (#   1448:10  Unique         2.81, 3.47 A)
 &rst
  ixpk= 1448, nxpk= 10, iat= 252,1530, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 ALA  HN           96 VAL  HN          5.00    (#   1449:10  Unique         2.44, 3.23 A)
 &rst
  ixpk= 1449, nxpk= 10, iat= 240,1530, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   96 VAL  MGX          96 VAL  HN          4.00    (#   1450:10  Unique         1.92, 3.77 A)
 &rst
  ixpk= 1450, nxpk= 10, iat=  -1,1530, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1536,1537,1538,1540,1541,1542,
 &end
#
#  111 VAL  MGX          69 MET  HN          5.00    (#   1451:10  Unique         3.25, 5.28 A)
 &rst
  ixpk= 1451, nxpk= 10, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1754,1755,1756,1758,1759,1760,
 &end
#
#   67 VAL  MGY          69 MET  HN          6.00    (#   1452:10  Unique         4.17, 6.52 A)
 &rst
  ixpk= 1452, nxpk= 10, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1087,1088,1089,1091,1092,1093,
 &end
#
#   63 ASN  HB-          33 LEU  HN          5.00    (#   1453:10  Unique         2.76, 3.62 A)
 &rst
  ixpk= 1453, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1029,1030,
 &end
#
#    0 AMB  10-2:1454    33 LEU  HN          5.00    (#   1454:10  Single Ambig)
 &rst
  ixpk= 1454, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 554, 555,1010,1011, 504, 505,1059,
 &end
#
#    0 AMB  10-2:1455    33 LEU  HN          5.00    (#   1455:10  Single Ambig)
 &rst
  ixpk= 1455, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 532, 422,
 &end
#
#   62 LEU  HG           33 LEU  HN          5.00    (#   1456:10  Unique         3.33, 4.50 A)
 &rst
  ixpk= 1456, nxpk= 10, iat=1013, 525, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 THR  HB           33 LEU  HN          6.00    (#   1457:10  Unique         3.97, 4.18 A)
 &rst
  ixpk= 1457, nxpk= 10, iat= 515, 525, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:1458    33 LEU  HN          6.00    (#   1458:10  Single Ambig)
 &rst
  ixpk= 1458, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1027,1832,
 &end
#
#   63 ASN  HN           33 LEU  HN          4.00    (#   1459:10  Unique         3.18, 3.85 A)
 &rst
  ixpk= 1459, nxpk= 10, iat=1025, 525, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1460    33 LEU  HN          6.00    (#   1460:10  Single Ambig)
 &rst
  ixpk= 1460, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 511,1039,
 &end
#
#    0 AMB  10-2:1461    69 MET  HN          6.00    (#   1461:10  Single Ambig)
 &rst
  ixpk= 1461, nxpk= 10, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 608,1411,1518,1526,
 &end
#
#    0 AMB  10-2:1462   117 PHE  HN          5.00    (#   1462:10  Single Ambig)
 &rst
  ixpk= 1462, nxpk= 10, iat=  -1,1846, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 529, 530, 128, 129, 130,
 &end
#
#  123 LEU  HA          117 PHE  HN          6.00    (#   1463:10  Unique         4.52, 4.75 A)
 &rst
  ixpk= 1463, nxpk= 10, iat=1940,1846, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 THR  HB          117 PHE  HN          5.00    (#   1464:10  Unique         3.70, 4.15 A)
 &rst
  ixpk= 1464, nxpk= 10, iat= 515,1846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1465    34 ILE  HN          6.00    (#   1465:10  Single Ambig)
 &rst
  ixpk= 1465, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1790, 513,1848,
 &end
#
#  115 TYR  HB-          34 ILE  HN          5.00    (#   1466:10  Unique         2.84, 3.93 A)
 &rst
  ixpk= 1466, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1813,1814,
 &end
#
#  115 TYR  HB+          34 ILE  HN          6.00    (#   1467:10  Unique         2.84, 3.93 A)
 &rst
  ixpk= 1467, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1813,1814,
 &end
#
#   33 LEU  HB+          34 ILE  HN          5.00    (#   1468:10  Unique         4.02, 4.39 A)
 &rst
  ixpk= 1468, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 529, 530,
 &end
#
#   33 LEU  HB-          34 ILE  HN          4.00    (#   1469:10  Unique         4.02, 4.39 A)
 &rst
  ixpk= 1469, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 529, 530,
 &end
#
#   92 GLN  HG+          66 ALA  HN          6.00    (#   1470:10  Unique         2.74, 4.21 A)
 &rst
  ixpk= 1470, nxpk= 10, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1467,1468,
 &end
#
#   92 GLN  HG-          66 ALA  HN          5.00    (#   1471:10  Unique         2.74, 4.21 A)
 &rst
  ixpk= 1471, nxpk= 10, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1467,1468,
 &end
#
#   92 GLN  HB+          66 ALA  HN          6.00    (#   1472:10  Unique         3.44, 5.03 A)
 &rst
  ixpk= 1472, nxpk= 10, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1464,1465,
 &end
#
#   33 LEU  HN           34 ILE  HN          5.00    (#   1473:10  Unique         4.01, 4.22 A)
 &rst
  ixpk= 1473, nxpk= 10, iat= 525, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  115 TYR  HN           34 ILE  HN          4.00    (#   1474:10  Unique         2.81, 3.09 A)
 &rst
  ixpk= 1474, nxpk= 10, iat=1809, 544, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1475    34 ILE  HN          5.00    (#   1475:10  Single Ambig)
 &rst
  ixpk= 1475, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 563,1830,
 &end
#
#    3 LEU  MDX         126 PHE  HN          6.00    (#   1479:10  Unique         2.30, 5.17 A)
 &rst
  ixpk= 1479, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#  126 PHE  HD          126 PHE  HN          4.00    (#   1480:10  Unique         3.06, 4.27 A)
 &rst
  ixpk= 1480, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2006,2014,
 &end
#
#    0 AMB  10-2:1481   124 ARG  HN          6.00    (#   1481:10  Single Ambig)
 &rst
  ixpk= 1481, nxpk= 10, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1967,1968,1850,1851,
 &end
#
#    0 AMB  10-2:1482   124 ARG  HN          6.00    (#   1482:10  Single Ambig)
 &rst
  ixpk= 1482, nxpk= 10, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1928,1929,1834,
 &end
#
#  124 ARG  HG-         124 ARG  HN          5.00    (#   1483:10  Unique         2.16, 3.72 A)
 &rst
  ixpk= 1483, nxpk= 10, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1964,1965,
 &end
#
#  123 LEU  HG          124 ARG  HN          4.00    (#   1485:10  Unique         3.27, 3.99 A)
 &rst
  ixpk= 1485, nxpk= 10, iat=1945,1957, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1486   124 ARG  HN          4.00    (#   1486:10  Single Ambig)
 &rst
  ixpk= 1486, nxpk= 10, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1947,1948,1949,1951,1952,1953,1836,1837,1838,1840,
      1841,1842,
 &end
#
#   39 ILE  HB           39 ILE  HN          5.00    (#   1487:10  Unique         3.48, 3.53 A)
 &rst
  ixpk= 1487, nxpk= 10, iat= 639, 635, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1488    39 ILE  HN          6.00    (#   1488:10  Single Ambig)
 &rst
  ixpk= 1488, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 669, 670,1155,1156,
 &end
#
#   38 SER  HB+          39 ILE  HN          5.00    (#   1489:10  Unique         2.49, 3.72 A)
 &rst
  ixpk= 1489, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 628, 629,
 &end
#
#   38 SER  HB-          39 ILE  HN          6.00    (#   1490:10  Unique         2.49, 3.72 A)
 &rst
  ixpk= 1490, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 628, 629,
 &end
#
#   40 SER  HN           39 ILE  HN          4.00    (#   1493:10  Unique         2.31, 2.59 A)
 &rst
  ixpk= 1493, nxpk= 10, iat= 654, 635, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  100 HIS  HD2         102 LEU  HN          6.00    (#   1496:10  Unique         3.78, 4.32 A)
 &rst
  ixpk= 1496, nxpk= 10, iat=1594,1608, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  102 LEU  MDX         102 LEU  HN          5.00    (#   1498:10  Unique         1.87, 3.79 A)
 &rst
  ixpk= 1498, nxpk= 10, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#   67 VAL  MGX          68 HIS  HN          5.00    (#   1499:10  Unique         1.91, 4.31 A)
 &rst
  ixpk= 1499, nxpk= 10, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1087,1088,1089,1091,1092,1093,
 &end
#
#   94 ILE  QG2          68 HIS  HN          4.00    (#   1500:10  Unique         2.44, 3.70 A)
 &rst
  ixpk= 1500, nxpk= 10, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1497,1498,1499,
 &end
#
#   68 HIS  HB+          68 HIS  HN          4.00    (#   1501:10  Unique         2.05, 2.76 A)
 &rst
  ixpk= 1501, nxpk= 10, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1101,1102,
 &end
#
#   68 HIS  HB-          68 HIS  HN          4.00    (#   1502:10  Unique         2.05, 2.76 A)
 &rst
  ixpk= 1502, nxpk= 10, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1101,1102,
 &end
#
#   95 PHE  HB+          68 HIS  HN          6.00    (#   1503:10  Unique         4.08, 5.25 A)
 &rst
  ixpk= 1503, nxpk= 10, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1514,1515,
 &end
#
#   68 HIS  HA           68 HIS  HN          5.00    (#   1504:10  Unique         2.85, 2.89 A)
 &rst
  ixpk= 1504, nxpk= 10, iat=1099,1097, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   96 VAL  HA           68 HIS  HN          5.00    (#   1505:10  Unique         2.28, 2.73 A)
 &rst
  ixpk= 1505, nxpk= 10, iat=1532,1097, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1506   105 ALA  HN          4.00    (#   1506:10  Single Ambig)
 &rst
  ixpk= 1506, nxpk= 10, iat=  -1,1653, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1629,1685,
 &end
#
#  103 THR  HB          105 ALA  HN          5.00    (#   1507:10  Unique         4.90, 5.03 A)
 &rst
  ixpk= 1507, nxpk= 10, iat=1631,1653, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 THR  MG2         105 ALA  HN          5.00    (#   1508:10  Unique         5.19, 5.97 A)
 &rst
  ixpk= 1508, nxpk= 10, iat=  -1,1653, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1633,1634,1635,
 &end
#
#    0 AMB  10-2:1509   105 ALA  HN          5.00    (#   1509:10  Single Ambig)
 &rst
  ixpk= 1509, nxpk= 10, iat=  -1,1653, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1665,   6,
 &end
#
#   36 PHE  HA           36 PHE  HN          4.00    (#   1510:10  Unique         2.89, 2.90 A)
 &rst
  ixpk= 1510, nxpk= 10, iat= 582, 580, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  114 TYR  HA           36 PHE  HN          5.00    (#   1511:10  Unique         3.48, 3.66 A)
 &rst
  ixpk= 1511, nxpk= 10, iat=1790, 580, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HB-          36 PHE  HN          4.00    (#   1513:10  Unique         3.12, 3.63 A)
 &rst
  ixpk= 1513, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 567, 568,
 &end
#
#  113 ALA  MB           36 PHE  HN          4.00    (#   1514:10  Unique         2.69, 4.27 A)
 &rst
  ixpk= 1514, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1782,1783,1784,
 &end
#
#  111 VAL  MGX          36 PHE  HN          5.00    (#   1515:10  Unique         4.16, 6.06 A)
 &rst
  ixpk= 1515, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1754,1755,1756,1758,1759,1760,
 &end
#
#   63 ASN  HD2+         63 ASN  HN          5.00    (#   1516:10  Unique         1.90, 2.96 A)
 &rst
  ixpk= 1516, nxpk= 10, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1034,1035,
 &end
#
#   63 ASN  HD2-         63 ASN  HN          5.00    (#   1517:10  Unique         1.90, 2.96 A)
 &rst
  ixpk= 1517, nxpk= 10, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1034,1035,
 &end
#
#   62 LEU  HN           63 ASN  HN          5.00    (#   1518:10  Unique         3.88, 4.21 A)
 &rst
  ixpk= 1518, nxpk= 10, iat=1006,1025, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1519    63 ASN  HN          4.00    (#   1519:10  Single Ambig)
 &rst
  ixpk= 1519, nxpk= 10, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1039, 511,
 &end
#
#   39 ILE  QD1          80 LYS  HN          4.00    (#   1520:10  Unique         4.92, 5.88 A)
 &rst
  ixpk= 1520, nxpk= 10, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 648, 649, 650,
 &end
#
#   81 ILE  QD1          80 LYS  HN          6.00    (#   1521:10  Unique         3.25, 5.11 A)
 &rst
  ixpk= 1521, nxpk= 10, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1306,1307,1308,
 &end
#
#    0 AMB  10-2:1522     0 AMB  10-1:1522   6.00    (#   1522:10  Double Ambig)
 &rst
  ixpk= 1522, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1617,1618,1619,1621,1622,1623,1303,1304,
 igr2=1598,1271,
 &end
#
#   17 LEU  HB-          17 LEU  HN          4.00    (#   1523:10  Unique         2.03, 2.91 A)
 &rst
  ixpk= 1523, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 278, 279,
 &end
#
#   94 ILE  HB           17 LEU  HN          4.00    (#   1524:10  Unique         2.33, 3.52 A)
 &rst
  ixpk= 1524, nxpk= 10, iat=1495, 274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1525    17 LEU  HN          4.00    (#   1525:10  Single Ambig)
 &rst
  ixpk= 1525, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 283, 284, 285, 287, 288, 289,1536,1537,1538,1540,
      1541,1542,
 &end
#
#    0 AMB  10-2:1526    17 LEU  HN          4.00    (#   1526:10  Single Ambig)
 &rst
  ixpk= 1526, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 254, 255,1514,1515,
 &end
#
#  123 LEU  MDX           2 LYS  HN          5.00    (#   1527:10  Unique         3.02, 6.53 A)
 &rst
  ixpk= 1527, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1947,1948,1949,1951,1952,1953,
 &end
#
#    0 AMB  10-2:1528    51 VAL  HN          5.00    (#   1528:10  Single Ambig)
 &rst
  ixpk= 1528, nxpk= 10, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 795, 834,
 &end
#
#  133 MET  ME           51 VAL  HN          5.00    (#   1530:10  Unique         3.70, 5.40 A)
 &rst
  ixpk= 1530, nxpk= 10, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2088,2089,2090,
 &end
#
#   47 ALA  MB           51 VAL  HN          6.00    (#   1531:10  Unique         3.14, 4.59 A)
 &rst
  ixpk= 1531, nxpk= 10, iat=  -1, 816, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 762, 763, 764,
 &end
#
#  125 HIS  HB+         116 VAL  HN          4.00    (#   1532:10  Unique         4.03, 5.31 A)
 &rst
  ixpk= 1532, nxpk= 10, iat=  -1,1830, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1985,1986,
 &end
#
#    0 AMB  10-2:1533   116 VAL  HN          5.00    (#   1533:10  Single Ambig)
 &rst
  ixpk= 1533, nxpk= 10, iat=  -1,1830, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2002,2003,2199,2200,
 &end
#
#  115 TYR  HB+         116 VAL  HN          4.00    (#   1534:10  Unique         2.96, 3.55 A)
 &rst
  ixpk= 1534, nxpk= 10, iat=  -1,1830, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1813,1814,
 &end
#
#  125 HIS  HB-         116 VAL  HN          5.00    (#   1535:10  Unique         4.03, 5.31 A)
 &rst
  ixpk= 1535, nxpk= 10, iat=  -1,1830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1985,1986,
 &end
#
#  115 TYR  HB-         116 VAL  HN          5.00    (#   1536:10  Unique         2.96, 3.55 A)
 &rst
  ixpk= 1536, nxpk= 10, iat=  -1,1830, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1813,1814,
 &end
#
#  123 LEU  HA          116 VAL  HN          6.00    (#   1537:10  Unique         4.28, 4.69 A)
 &rst
  ixpk= 1537, nxpk= 10, iat=1940,1830, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  125 HIS  HD2         116 VAL  HN          5.00    (#   1538:10  Unique         3.39, 4.60 A)
 &rst
  ixpk= 1538, nxpk= 10, iat=1994,1830, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  126 PHE  HD          116 VAL  HN          6.00    (#   1539:10  Unique         4.88, 5.82 A)
 &rst
  ixpk= 1539, nxpk= 10, iat=  -1,1830, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2006,2014,
 &end
#
#  117 PHE  HE            7 MET  HN          4.00    (#   1540:10  Unique         1.87, 4.66 A)
 &rst
  ixpk= 1540, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1856,1860,
 &end
#
#  117 PHE  HD            7 MET  HN          4.00    (#   1541:10  Unique         2.14, 4.63 A)
 &rst
  ixpk= 1541, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1854,1862,
 &end
#
#  122 GLN  HA            7 MET  HN          4.00    (#   1542:10  Unique         4.28, 4.64 A)
 &rst
  ixpk= 1542, nxpk= 10, iat=1923, 117, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    7 MET  HG+           7 MET  HN          5.00    (#   1543:10  Unique         1.83, 2.96 A)
 &rst
  ixpk= 1543, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 124, 125,
 &end
#
#  104 ASP  HN          103 THR  HN          4.00    (#   1544:10  Unique         2.67, 2.80 A)
 &rst
  ixpk= 1544, nxpk= 10, iat=1641,1627, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  108 ASN  HN          103 THR  HN          6.00    (#   1545:10  Unique         3.60, 4.31 A)
 &rst
  ixpk= 1545, nxpk= 10, iat=1698,1627, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  100 HIS  HD2         103 THR  HN          6.00    (#   1546:10  Unique         4.92, 5.64 A)
 &rst
  ixpk= 1546, nxpk= 10, iat=1594,1627, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 ILE  HG1-         94 ILE  HN          6.00    (#   1548:10  Unique         1.99, 3.03 A)
 &rst
  ixpk= 1548, nxpk= 10, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1501,1502,
 &end
#
#    0 AMB  10-2:1549    94 ILE  HN          6.00    (#   1549:10  Single Ambig)
 &rst
  ixpk= 1549, nxpk= 10, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1497,1498,1499,1536,1537,1538,1540,1541,1542,
 &end
#
#   94 ILE  QD1          94 ILE  HN          5.00    (#   1550:10  Unique         2.39, 4.33 A)
 &rst
  ixpk= 1550, nxpk= 10, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1504,1505,1506,
 &end
#
#    0 AMB  10-2:1551    94 ILE  HN          6.00    (#   1551:10  Single Ambig)
 &rst
  ixpk= 1551, nxpk= 10, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 278, 279, 281,
 &end
#
#   94 ILE  HB           94 ILE  HN          4.00    (#   1552:10  Unique         2.62, 2.73 A)
 &rst
  ixpk= 1552, nxpk= 10, iat=1495,1491, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1553     0 AMB  10-1:1553   6.00    (#   1553:10  Double Ambig)
 &rst
  ixpk= 1553, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1187,1188,1501,1502,
 igr2=1180,1491,
 &end
#
#   18 ASN  HB+          94 ILE  HN          5.00    (#   1555:10  Unique         2.03, 3.51 A)
 &rst
  ixpk= 1555, nxpk= 10, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 297, 298,
 &end
#
#    0 AMB  10-2:1556    94 ILE  HN          5.00    (#   1556:10  Single Ambig)
 &rst
  ixpk= 1556, nxpk= 10, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 309, 310, 297, 298,
 &end
#
#   94 ILE  HA           94 ILE  HN          5.00    (#   1557:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 1557, nxpk= 10, iat=1493,1491, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ASN  HD2-         94 ILE  HN          6.00    (#   1558:10  Unique         3.12, 4.36 A)
 &rst
  ixpk= 1558, nxpk= 10, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 302, 303,
 &end
#
#    0 AMB  10-2:1559    94 ILE  HN          5.00    (#   1559:10  Single Ambig)
 &rst
  ixpk= 1559, nxpk= 10, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1472,1473, 269,
 &end
#
#    0 AMB  10-2:1560   114 TYR  HN          4.00    (#   1560:10  Single Ambig)
 &rst
  ixpk= 1560, nxpk= 10, iat=  -1,1788, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2022,2023,2137,2138,
 &end
#
#    0 AMB  10-2:1561   114 TYR  HN          5.00    (#   1561:10  Single Ambig)
 &rst
  ixpk= 1561, nxpk= 10, iat=  -1,1788, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2022,2023,   8,   9,
 &end
#
#   35 HIS  HA          114 TYR  HN          5.00    (#   1563:10  Unique         4.14, 4.34 A)
 &rst
  ixpk= 1563, nxpk= 10, iat= 565,1788, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  126 PHE  HD          114 TYR  HN          5.00    (#   1564:10  Unique         2.86, 5.26 A)
 &rst
  ixpk= 1564, nxpk= 10, iat=  -1,1788, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2006,2014,
 &end
#
#  115 TYR  HE          114 TYR  HN          5.00    (#   1565:10  Unique         3.32, 5.69 A)
 &rst
  ixpk= 1565, nxpk= 10, iat=  -1,1788, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1819,1824,
 &end
#
#    0 AMB  10-2:1568   114 TYR  HN          5.00    (#   1568:10  Single Ambig)
 &rst
  ixpk= 1568, nxpk= 10, iat=  -1,1788, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2008,2012,1778,
 &end
#
#  115 TYR  HD          114 TYR  HN          6.00    (#   1569:10  Unique         2.79, 5.17 A)
 &rst
  ixpk= 1569, nxpk= 10, iat=  -1,1788, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1817,1826,
 &end
#
#    0 AMB  10-2:1570     0 AMB  10-1:1570   4.00    (#   1570:10  Double Ambig)
 &rst
  ixpk= 1570, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 608, 947, 956,
 igr2=1472,1473,1472,1473,
 &end
#
#   92 GLN  HG-          92 GLN  HE2+        4.00    (#   1571:10  Unique         2.10, 3.25 A)
 &rst
  ixpk= 1571, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1467,1468,
 igr2=1472,1473,
 &end
#
#   92 GLN  HG+          92 GLN  HE2+        5.00    (#   1572:10  Unique         2.10, 3.25 A)
 &rst
  ixpk= 1572, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1467,1468,
 igr2=1472,1473,
 &end
#
#   64 VAL  MGY          92 GLN  HE2+        4.00    (#   1573:10  Unique         1.86, 4.65 A)
 &rst
  ixpk= 1573, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1045,1046,1047,1049,1050,1051,
 igr2=1472,1473,
 &end
#
#   90 ILE  QG2          92 GLN  HE2+        5.00    (#   1574:10  Unique         1.99, 6.06 A)
 &rst
  ixpk= 1574, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1433,1434,1435,
 igr2=1472,1473,
 &end
#
#   51 VAL  MGX          92 GLN  HE2+        6.00    (#   1575:10  Unique         1.91, 4.08 A)
 &rst
  ixpk= 1575, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2=1472,1473,
 &end
#
#   31 PRO  HB-         119 LYS  HN          5.00    (#   1576:10  Unique         2.61, 3.79 A)
 &rst
  ixpk= 1576, nxpk= 10, iat=  -1,1878, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 504, 505,
 &end
#
#  119 LYS  HE+         119 LYS  HN          5.00    (#   1577:10  Unique         3.72, 4.94 A)
 &rst
  ixpk= 1577, nxpk= 10, iat=  -1,1878, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1891,1892,
 &end
#
#   31 PRO  HA          119 LYS  HN          4.00    (#   1578:10  Unique         3.03, 3.16 A)
 &rst
  ixpk= 1578, nxpk= 10, iat= 507,1878, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1579   119 LYS  HN          4.00    (#   1579:10  Single Ambig)
 &rst
  ixpk= 1579, nxpk= 10, iat=  -1,1878, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1914,1866,
 &end
#
#  124 ARG  HN          118 ASP  HN          4.00    (#   1580:10  Unique         3.15, 3.48 A)
 &rst
  ixpk= 1580, nxpk= 10, iat=1957,1866, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  119 LYS  HN          118 ASP  HN          5.00    (#   1581:10  Unique         4.60, 4.64 A)
 &rst
  ixpk= 1581, nxpk= 10, iat=1878,1866, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HN          118 ASP  HN          5.00    (#   1582:10  Unique         4.34, 4.43 A)
 &rst
  ixpk= 1582, nxpk= 10, iat=1846,1866, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 THR  HB          106 PHE  HN          6.00    (#   1583:10  Unique         5.32, 5.50 A)
 &rst
  ixpk= 1583, nxpk= 10, iat=1631,1663, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 TYR  HA           61 GLN  HN          4.00    (#   1586:10  Unique         3.16, 3.38 A)
 &rst
  ixpk= 1586, nxpk= 10, iat= 941, 989, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLN  HA           61 GLN  HN          5.00    (#   1587:10  Unique         3.43, 3.88 A)
 &rst
  ixpk= 1587, nxpk= 10, iat= 962, 989, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 TYR  HB-          61 GLN  HN          4.00    (#   1588:10  Unique         3.10, 4.32 A)
 &rst
  ixpk= 1588, nxpk= 10, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 943, 944,
 &end
#
#   30 LYS  HG+          61 GLN  HN          6.00    (#   1589:10  Unique         4.75, 6.07 A)
 &rst
  ixpk= 1589, nxpk= 10, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 482, 483,
 &end
#
#   62 LEU  HB+          61 GLN  HN          5.00    (#   1590:10  Unique         4.02, 4.72 A)
 &rst
  ixpk= 1590, nxpk= 10, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1010,1011,
 &end
#
#    0 AMB  10-2:1591    61 GLN  HN          5.00    (#   1591:10  Single Ambig)
 &rst
  ixpk= 1591, nxpk= 10, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2292,2293,2294,2296,2297,2298,1015,1016,1017,1019,
      1020,1021,
 &end
#
#  144 LEU  MDY          61 GLN  HN          5.00    (#   1592:10  Unique         4.16, 5.99 A)
 &rst
  ixpk= 1592, nxpk= 10, iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2292,2293,2294,2296,2297,2298,
 &end
#
#  103 THR  MG2         108 ASN  HD2+        4.00    (#   1593:10  Unique         2.96, 5.93 A)
 &rst
  ixpk= 1593, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1633,1634,1635,
 igr2=1707,1708,
 &end
#
#  111 VAL  MGX         108 ASN  HD2+        4.00    (#   1594:10  Unique         1.89, 4.36 A)
 &rst
  ixpk= 1594, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1754,1755,1756,1758,1759,1760,
 igr2=1707,1708,
 &end
#
#    0 AMB  10-2:1595   106 PHE  HN          5.00    (#   1595:10  Single Ambig)
 &rst
  ixpk= 1595, nxpk= 10, iat=  -1,1663, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1702,1703,1690,1691,
 &end
#
#    0 AMB  10-2:1596    60 ASP  HN          5.00    (#   1596:10  Single Ambig)
 &rst
  ixpk= 1596, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 993, 994,1010,1011,
 &end
#
#   62 LEU  HN           60 ASP  HN          4.00    (#   1598:10  Unique         2.09, 2.83 A)
 &rst
  ixpk= 1598, nxpk= 10, iat=1006, 977, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  125 HIS  HD2         125 HIS  HN          5.00    (#   1599:10  Unique         3.64, 4.78 A)
 &rst
  ixpk= 1599, nxpk= 10, iat=1994,1981, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 LEU  MDX          24 GLU  HN          6.00    (#   1600:10  Unique         4.55, 7.30 A)
 &rst
  ixpk= 1600, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 172, 173, 174, 176, 177, 178,
 &end
#
#    0 AMB  10-2:1603    24 GLU  HN          5.00    (#   1603:10  Single Ambig)
 &rst
  ixpk= 1603, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 400, 417,
 &end
#
#   27 ILE  HN           24 GLU  HN          6.00    (#   1604:10  Unique         4.76, 4.91 A)
 &rst
  ixpk= 1604, nxpk= 10, iat= 434, 383, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  HN           24 GLU  HN          5.00    (#   1605:10  Unique         3.84, 4.11 A)
 &rst
  ixpk= 1605, nxpk= 10, iat= 415, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LEU  MDX          18 ASN  HN          5.00    (#   1606:10  Unique         2.89, 5.08 A)
 &rst
  ixpk= 1606, nxpk= 10, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#    0 AMB  10-2:1608    18 ASN  HN          5.00    (#   1608:10  Single Ambig)
 &rst
  ixpk= 1608, nxpk= 10, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 297, 298, 254, 255,
 &end
#
#    0 AMB  10-2:1609    18 ASN  HN          4.00    (#   1609:10  Single Ambig)
 &rst
  ixpk= 1609, nxpk= 10, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 297, 298, 309, 310,
 &end
#
#    3 LEU  MDX           4 ARG  HN          5.00    (#   1610:10  Unique         3.23, 5.36 A)
 &rst
  ixpk= 1610, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#  123 LEU  MDY           4 ARG  HN          6.00    (#   1611:10  Unique         3.42, 5.69 A)
 &rst
  ixpk= 1611, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1947,1948,1949,1951,1952,1953,
 &end
#
#    4 ARG  HD+           4 ARG  HN          5.00    (#   1612:10  Unique         3.40, 5.06 A)
 &rst
  ixpk= 1612, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  72,  73,
 &end
#
#    3 LEU  HN            4 ARG  HN          6.00    (#   1613:10  Unique         4.24, 4.58 A)
 &rst
  ixpk= 1613, nxpk= 10, iat=  43,  62, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  123 LEU  HN            4 ARG  HN          5.00    (#   1614:10  Unique         3.48, 3.85 A)
 &rst
  ixpk= 1614, nxpk= 10, iat=1938,  62, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ASN  HB-          18 ASN  HD2-        4.00    (#   1615:10  Unique         2.10, 3.12 A)
 &rst
  ixpk= 1615, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 297, 298,
 igr2= 302, 303,
 &end
#
#   99 ASP  HB-         100 HIS  HN          5.00    (#   1618:10  Unique         2.03, 2.78 A)
 &rst
  ixpk= 1618, nxpk= 10, iat=  -1,1581, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1573,1574,
 &end
#
#   99 ASP  HB+         100 HIS  HN          5.00    (#   1619:10  Unique         2.03, 2.78 A)
 &rst
  ixpk= 1619, nxpk= 10, iat=  -1,1581, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1573,1574,
 &end
#
#  101 ALA  MB          100 HIS  HN          5.00    (#   1620:10  Unique         4.82, 5.72 A)
 &rst
  ixpk= 1620, nxpk= 10, iat=  -1,1581, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1602,1603,1604,
 &end
#
#  103 THR  MG2         100 HIS  HN          6.00    (#   1621:10  Unique         3.33, 5.33 A)
 &rst
  ixpk= 1621, nxpk= 10, iat=  -1,1581, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1633,1634,1635,
 &end
#
#    0 AMB  10-2:1622     0 AMB  10-1:1622   5.00    (#   1622:10  Double Ambig)
 &rst
  ixpk= 1622, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 138, 139,  28,  29,
 igr2=  98,  99,  98,  99,
 &end
#
#  133 MET  ME           50 GLN  HE2-        5.00    (#   1623:10  Unique         5.09, 7.21 A)
 &rst
  ixpk= 1623, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2088,2089,2090,
 igr2= 811, 812,
 &end
#
#  136 LEU  HB+          50 GLN  HE2-        4.00    (#   1624:10  Unique         6.75, 8.92 A)
 &rst
  ixpk= 1624, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2137,2138,
 igr2= 811, 812,
 &end
#
#   47 ALA  MB           50 GLN  HE2-        5.00    (#   1625:10  Unique         3.74, 5.98 A)
 &rst
  ixpk= 1625, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 762, 763, 764,
 igr2= 811, 812,
 &end
#
#   43 LEU  MDY          44 CYSS HN          5.00    (#   1626:10  Unique         2.75, 5.66 A)
 &rst
  ixpk= 1626, nxpk= 10, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 701, 702, 703, 705, 706, 707,
 &end
#
#   27 ILE  HG1+         28 GLY  HN          4.00    (#   1627:10  Unique         3.84, 4.70 A)
 &rst
  ixpk= 1627, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 444, 445,
 &end
#
#    0 AMB  10-2:1628    28 GLY  HN          6.00    (#   1628:10  Single Ambig)
 &rst
  ixpk= 1628, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1906,1907,1908, 517, 518, 519,
 &end
#
#   27 ILE  HG1-         28 GLY  HN          4.00    (#   1629:10  Unique         3.84, 4.70 A)
 &rst
  ixpk= 1629, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 444, 445,
 &end
#
#  119 LYS  HB+          28 GLY  HN          5.00    (#   1630:10  Unique         2.62, 4.25 A)
 &rst
  ixpk= 1630, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1882,1883,
 &end
#
#  119 LYS  HD-          28 GLY  HN          6.00    (#   1631:10  Unique         2.66, 4.96 A)
 &rst
  ixpk= 1631, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1888,1889,
 &end
#
#  119 LYS  HA           28 GLY  HN          4.00    (#   1632:10  Unique         3.06, 3.79 A)
 &rst
  ixpk= 1632, nxpk= 10, iat=1880, 453, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1633    28 GLY  HN          5.00    (#   1633:10  Single Ambig)
 &rst
  ixpk= 1633, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 434,1034,1035,
 &end
#
#   43 LEU  HN           44 CYSS HN          5.00    (#   1634:10  Unique         2.52, 2.70 A)
 &rst
  ixpk= 1634, nxpk= 10, iat= 692, 711, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 ALA  HN           44 CYSS HN          6.00    (#   1635:10  Unique         4.55, 4.95 A)
 &rst
  ixpk= 1635, nxpk= 10, iat= 758, 711, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 SER  HN           44 CYSS HN          6.00    (#   1636:10  Unique         4.14, 4.77 A)
 &rst
  ixpk= 1636, nxpk= 10, iat= 624, 711, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  128 ALA  MB          111 VAL  HN          5.00    (#   1637:10  Unique         3.58, 5.72 A)
 &rst
  ixpk= 1637, nxpk= 10, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2039,2040,2041,
 &end
#
#   69 MET  ME          111 VAL  HN          6.00    (#   1638:10  Unique         3.42, 5.92 A)
 &rst
  ixpk= 1638, nxpk= 10, iat=  -1,1748, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1125,1126,1127,
 &end
#
#  122 GLN  HB+         122 GLN  HE2-        5.00    (#   1639:10  Unique         1.91, 4.02 A)
 &rst
  ixpk= 1639, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1925,1926,
 igr2=1933,1934,
 &end
#
#    0 AMB  10-2:1640     0 AMB  10-1:1640   6.00    (#   1640:10  Double Ambig)
 &rst
  ixpk= 1640, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 779, 780, 781,  47,  48, 699,
 igr2= 624,1933,1934,
 &end
#
#  120 THR  MG2         122 GLN  HE2-        6.00    (#   1641:10  Unique         1.95, 4.14 A)
 &rst
  ixpk= 1641, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1906,1907,1908,
 igr2=1933,1934,
 &end
#
#  111 VAL  MGY          38 SER  HN          6.00    (#   1642:10  Unique         4.00, 6.31 A)
 &rst
  ixpk= 1642, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1754,1755,1756,1758,1759,1760,
 &end
#
#  111 VAL  MGX          38 SER  HN          5.00    (#   1643:10  Unique         4.00, 6.31 A)
 &rst
  ixpk= 1643, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1754,1755,1756,1758,1759,1760,
 &end
#
#  120 THR  MG2         122 GLN  HE2+        5.00    (#   1644:10  Unique         1.95, 4.14 A)
 &rst
  ixpk= 1644, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1906,1907,1908,
 igr2=1933,1934,
 &end
#
#    0 AMB  10-2:1645   120 THR  HN          4.00    (#   1645:10  Single Ambig)
 &rst
  ixpk= 1645, nxpk= 10, iat=  -1,1900, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1882,1883,1925,1926,
 &end
#
#  118 ASP  HB+         120 THR  HN          6.00    (#   1646:10  Unique         1.89, 2.92 A)
 &rst
  ixpk= 1646, nxpk= 10, iat=  -1,1900, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1870,1871,
 &end
#
#   27 ILE  QG2         120 THR  HN          5.00    (#   1647:10  Unique         3.31, 4.60 A)
 &rst
  ixpk= 1647, nxpk= 10, iat=  -1,1900, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 440, 441, 442,
 &end
#
#  118 ASP  HB-         120 THR  HN          4.00    (#   1649:10  Unique         1.89, 2.92 A)
 &rst
  ixpk= 1649, nxpk= 10, iat=  -1,1900, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1870,1871,
 &end
#
#    0 AMB  10-2:1650   121 GLY  HN          6.00    (#   1650:10  Single Ambig)
 &rst
  ixpk= 1650, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1925,1926,1928,1929,
 &end
#
#    0 AMB  10-2:1651   121 GLY  HN          6.00    (#   1651:10  Single Ambig)
 &rst
  ixpk= 1651, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1925,1926,1882,1883,
 &end
#
#    0 AMB  10-2:1652   121 GLY  HN          5.00    (#   1652:10  Single Ambig)
 &rst
  ixpk= 1652, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 128, 129, 130,1882,1883,
 &end
#
#    0 AMB  10-2:1653    19 GLY  HN          4.00    (#   1653:10  Single Ambig)
 &rst
  ixpk= 1653, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 278, 279, 281,1319,1320,
 &end
#
#   17 LEU  MDY          19 GLY  HN          5.00    (#   1654:10  Unique         5.05, 6.35 A)
 &rst
  ixpk= 1654, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#    0 AMB  10-2:1655    19 GLY  HN          6.00    (#   1655:10  Single Ambig)
 &rst
  ixpk= 1655, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
 igr1=1501,1502, 283, 284, 285, 287, 288, 289, 335, 336,
       337, 339, 340, 341,
 &end
#
#   18 ASN  HD2+         19 GLY  HN          6.00    (#   1658:10  Unique         4.50, 5.52 A)
 &rst
  ixpk= 1658, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 302, 303,
 &end
#
#    0 AMB  10-2:1659    19 GLY  HN          5.00    (#   1659:10  Single Ambig)
 &rst
  ixpk= 1659, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 269, 263,
 &end
#
#    0 AMB  10-2:1660    79 GLY  HN          5.00    (#   1660:10  Single Ambig)
 &rst
  ixpk= 1660, nxpk= 10, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1278,1279,1297,
 &end
#
#   77 ASP  HB+          79 GLY  HN          6.00    (#   1661:10  Unique         2.38, 3.39 A)
 &rst
  ixpk= 1661, nxpk= 10, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1242,1243,
 &end
#
#   89 ASP  HB+          52 ASN  HD2+        4.00    (#   1662:10  Unique         2.74, 4.93 A)
 &rst
  ixpk= 1662, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1419,1420,
 igr2= 841, 842,
 &end
#
#   53 GLU  HG+          52 ASN  HD2+        6.00    (#   1663:10  Unique         1.91, 3.87 A)
 &rst
  ixpk= 1663, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 853, 854,
 igr2= 841, 842,
 &end
#
#    5 GLN  HB+           2 LYS  HN          4.00    (#   1664:10  Unique         4.08, 4.55 A)
 &rst
  ixpk= 1664, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  90,  91,
 &end
#
#    0 AMB  10-2:1665     2 LYS  HN          3.00    (#   1665:10  Single Ambig)
 &rst
  ixpk= 1665, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  25,  26,   8,   9,
 &end
#
#    4 ARG  HN            3 LEU  HN          5.00    (#   1666:10  Unique         4.24, 4.58 A)
 &rst
  ixpk= 1666, nxpk= 10, iat=  62,  43, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  123 LEU  HG            4 ARG  HN          4.00    (#   1668:10  Unique         3.19, 4.22 A)
 &rst
  ixpk= 1668, nxpk= 10, iat=1945,  62, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    2 LYS  HN            5 GLN  HN          5.00    (#   1669:10  Unique         4.20, 4.92 A)
 &rst
  ixpk= 1669, nxpk= 10, iat=  21,  86, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  123 LEU  MDY           5 GLN  HN          5.00    (#   1671:10  Unique         2.55, 5.30 A)
 &rst
  ixpk= 1671, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1947,1948,1949,1951,1952,1953,
 &end
#
#  106 PHE  HD          108 ASN  HN          5.00    (#   1673:10  Unique         1.94, 4.14 A)
 &rst
  ixpk= 1673, nxpk= 10, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1671,1679,
 &end
#
#  115 TYR  HE            0 AMB  10-1:1674   5.00    (#   1674:10  Single Ambig)
 &rst
  ixpk= 1674, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1819,1824,
 igr2= 148,1698,
 &end
#
#  108 ASN  HD2+        108 ASN  HN          5.00    (#   1675:10  Unique         3.55, 4.65 A)
 &rst
  ixpk= 1675, nxpk= 10, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1707,1708,
 &end
#
#   10 LEU  HA           10 LEU  HN          4.00    (#   1676:10  Unique         2.78, 2.85 A)
 &rst
  ixpk= 1676, nxpk= 10, iat= 165, 163, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   10 LEU  HB+          10 LEU  HN          4.00    (#   1678:10  Unique         2.12, 2.91 A)
 &rst
  ixpk= 1678, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 167, 168,
 &end
#
#    0 AMB  10-2:1679    10 LEU  HN          5.00    (#   1679:10  Single Ambig)
 &rst
  ixpk= 1679, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 188, 189, 190, 138, 139,
 &end
#
#   10 LEU  MDX          10 LEU  HN          4.00    (#   1680:10  Unique         1.94, 3.82 A)
 &rst
  ixpk= 1680, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 172, 173, 174, 176, 177, 178,
 &end
#
#   10 LEU  MDY          10 LEU  HN          5.00    (#   1681:10  Unique         1.94, 3.82 A)
 &rst
  ixpk= 1681, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 172, 173, 174, 176, 177, 178,
 &end
#
#   67 VAL  MGX          35 HIS  HN          5.00    (#   1682:10  Unique         3.14, 6.13 A)
 &rst
  ixpk= 1682, nxpk= 10, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1087,1088,1089,1091,1092,1093,
 &end
#
#    0 AMB  10-2:1683    35 HIS  HN          5.00    (#   1683:10  Single Ambig)
 &rst
  ixpk= 1683, nxpk= 10, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 822, 823, 824, 826, 827, 828, 557, 558, 559,1497,
      1498,1499, 172, 173, 174, 176, 177, 178,
 &end
#
#    0 AMB  10-2:1684    35 HIS  HN          5.00    (#   1684:10  Single Ambig)
 &rst
  ixpk= 1684, nxpk= 10, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 534, 535, 536, 538, 539, 540,1061,1062,1063,1065,
      1066,1067,
 &end
#
#   35 HIS  HB+          35 HIS  HN          5.00    (#   1685:10  Unique         2.78, 3.55 A)
 &rst
  ixpk= 1685, nxpk= 10, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 567, 568,
 &end
#
#   35 HIS  HB-          35 HIS  HN          5.00    (#   1686:10  Unique         2.78, 3.55 A)
 &rst
  ixpk= 1686, nxpk= 10, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 567, 568,
 &end
#
#   35 HIS  HA           35 HIS  HN          4.00    (#   1687:10  Unique         2.89, 2.92 A)
 &rst
  ixpk= 1687, nxpk= 10, iat= 565, 563, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 VAL  HN           35 HIS  HN          4.00    (#   1688:10  Unique         3.79, 4.10 A)
 &rst
  ixpk= 1688, nxpk= 10, iat=1081, 563, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 ILE  HG1+         28 GLY  HN          4.00    (#   1689:10  Unique         3.84, 4.70 A)
 &rst
  ixpk= 1689, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 444, 445,
 &end
#
#  119 LYS  HB+          28 GLY  HN          6.00    (#   1690:10  Unique         2.62, 4.25 A)
 &rst
  ixpk= 1690, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1882,1883,
 &end
#
#   27 ILE  HG1-         28 GLY  HN          4.00    (#   1691:10  Unique         3.84, 4.70 A)
 &rst
  ixpk= 1691, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 444, 445,
 &end
#
#  119 LYS  HA           28 GLY  HN          4.00    (#   1692:10  Unique         3.06, 3.79 A)
 &rst
  ixpk= 1692, nxpk= 10, iat=1880, 453, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   61 GLN  HB-          61 GLN  HE2-        5.00    (#   1693:10  Unique         1.95, 3.60 A)
 &rst
  ixpk= 1693, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 993, 994,
 igr2=1001,1002,
 &end
#
#    0 AMB  10-2:1695     0 AMB  10-1:1695   6.00    (#   1695:10  Double Ambig)
 &rst
  ixpk= 1695, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=2287,2288, 927, 928,
 igr2=1001,1002,1001,1002,
 &end
#
#   60 ASP  HB-          61 GLN  HE2+        4.00    (#   1696:10  Unique         2.32, 4.97 A)
 &rst
  ixpk= 1696, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 981, 982,
 igr2=1001,1002,
 &end
#
#   61 GLN  HA           61 GLN  HE2+        5.00    (#   1697:10  Unique         3.98, 5.22 A)
 &rst
  ixpk= 1697, nxpk= 10, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1001,1002,
 &end
#
#   60 ASP  HA           61 GLN  HE2+        6.00    (#   1698:10  Unique         4.86, 6.86 A)
 &rst
  ixpk= 1698, nxpk= 10, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1001,1002,
 &end
#
#   38 SER  HB-          40 SER  HN          6.00    (#   1700:10  Unique         2.05, 3.08 A)
 &rst
  ixpk= 1700, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 628, 629,
 &end
#
#   38 SER  HB+          40 SER  HN          6.00    (#   1701:10  Unique         2.05, 3.08 A)
 &rst
  ixpk= 1701, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 628, 629,
 &end
#
#   39 ILE  HG1-         40 SER  HN          4.00    (#   1702:10  Unique         2.61, 3.43 A)
 &rst
  ixpk= 1702, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 645, 646,
 &end
#
#   39 ILE  HG1+         40 SER  HN          6.00    (#   1703:10  Unique         2.61, 3.43 A)
 &rst
  ixpk= 1703, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 645, 646,
 &end
#
#   39 ILE  QG2          40 SER  HN          6.00    (#   1704:10  Unique         4.15, 4.86 A)
 &rst
  ixpk= 1704, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 641, 642, 643,
 &end
#
#    0 AMB  10-2:1705    40 SER  HN          6.00    (#   1705:10  Single Ambig)
 &rst
  ixpk= 1705, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 648, 649, 650,1754,1755,1756,1758,1759,1760,
 &end
#
#   84 THR  HA           88 HIS  HN          5.00    (#   1706:10  Unique         4.27, 4.72 A)
 &rst
  ixpk= 1706, nxpk= 10, iat=1351,1398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1708    88 HIS  HN          6.00    (#   1708:10  Single Ambig)
 &rst
  ixpk= 1708, nxpk= 10, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1437,1438, 779, 780, 781,
 &end
#
#    0 AMB  10-2:1709    32 THR  HN          5.00    (#   1709:10  Single Ambig)
 &rst
  ixpk= 1709, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279,
 &end
#
#    0 AMB  10-2:1710    32 THR  HN          5.00    (#   1710:10  Single Ambig)
 &rst
  ixpk= 1710, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 128, 129, 130, 529, 530,1882,1883,
 &end
#
#  117 PHE  HB+          32 THR  HN          6.00    (#   1711:10  Unique         2.27, 3.25 A)
 &rst
  ixpk= 1711, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1850,1851,
 &end
#
#  119 LYS  HA           32 THR  HN          6.00    (#   1712:10  Unique         3.92, 4.17 A)
 &rst
  ixpk= 1712, nxpk= 10, iat=1880, 511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  118 ASP  HA           32 THR  HN          5.00    (#   1713:10  Unique         4.01, 4.30 A)
 &rst
  ixpk= 1713, nxpk= 10, iat=1868, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  116 VAL  HA           32 THR  HN          5.00    (#   1715:10  Unique         4.58, 5.01 A)
 &rst
  ixpk= 1715, nxpk= 10, iat=1832, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HD           32 THR  HN          5.00    (#   1716:10  Unique         3.64, 5.07 A)
 &rst
  ixpk= 1716, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1854,1862,
 &end
#
#    0 AMB  10-2:1717   120 THR  HN          4.00    (#   1717:10  Single Ambig)
 &rst
  ixpk= 1717, nxpk= 10, iat=  -1,1900, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1882,1883,1925,1926,
 &end
#
#    0 AMB  10-2:1718     0 AMB  10-1:1718   6.00    (#   1718:10  Double Ambig)
 &rst
  ixpk= 1718, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2171,2172,2217,
 igr2=2238,2239,2238,2239,
 &end
#
#  144 LEU  MDY         141 ASN  HD2+        6.00    (#   1719:10  Unique         3.19, 8.02 A)
 &rst
  ixpk= 1719, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2292,2293,2294,2296,2297,2298,
 igr2=2238,2239,
 &end
#
#   21 VAL  MGX          25 GLN  HE2-        5.00    (#   1720:10  Unique         2.51, 5.69 A)
 &rst
  ixpk= 1720, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 335, 336, 337, 339, 340, 341,
 igr2= 410, 411,
 &end
#
#    0 AMB  10-2:1721    25 GLN  HE2-        4.00    (#   1721:10  Single Ambig)
 &rst
  ixpk= 1721, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 390, 391, 402, 403,
 igr2= 410, 411,
 &end
#
#   25 GLN  HB+          25 GLN  HE2-        5.00    (#   1722:10  Unique         1.95, 3.88 A)
 &rst
  ixpk= 1722, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 402, 403,
 igr2= 410, 411,
 &end
#
#   25 GLN  HA           25 GLN  HE2-        5.00    (#   1723:10  Unique         3.66, 5.14 A)
 &rst
  ixpk= 1723, nxpk= 10, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 410, 411,
 &end
#
#    0 AMB  10-2:1724    22 THR  HN          5.00    (#   1724:10  Single Ambig)
 &rst
  ixpk= 1724, nxpk= 10, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 400, 417,
 &end
#
#    5 GLN  HB+           5 GLN  HE2-        6.00    (#   1727:10  Unique         1.82, 3.84 A)
 &rst
  ixpk= 1727, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  90,  91,
 igr2=  98,  99,
 &end
#
#    5 GLN  HB-           5 GLN  HE2-        5.00    (#   1728:10  Unique         1.82, 3.84 A)
 &rst
  ixpk= 1728, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  90,  91,
 igr2=  98,  99,
 &end
#
#    0 AMB  10-2:1729     5 GLN  HE2-        6.00    (#   1729:10  Single Ambig)
 &rst
  ixpk= 1729, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 138, 139,  28,  29,
 igr2=  98,  99,
 &end
#
#   76 LEU  MDX          72 SER  HN          6.00    (#   1730:10  Unique         4.19, 6.94 A)
 &rst
  ixpk= 1730, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1228,1229,1230,1232,1233,1234,
 &end
#
#   71 ARG  HG-          72 SER  HN          6.00    (#   1731:10  Unique         4.18, 5.02 A)
 &rst
  ixpk= 1731, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1152,1153,
 &end
#
#   47 ALA  MB           50 GLN  HE2+        6.00    (#   1732:10  Unique         3.74, 5.98 A)
 &rst
  ixpk= 1732, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 762, 763, 764,
 igr2= 811, 812,
 &end
#
#    0 AMB  10-2:1733     0 AMB  10-1:1733   6.00    (#   1733:10  Double Ambig)
 &rst
  ixpk= 1733, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=2088,2089,2090, 779, 780, 781,
 igr2= 811, 812, 811, 812,
 &end
#
#  115 TYR  HE           36 PHE  HN          6.00    (#   1734:10  Unique         2.39, 5.38 A)
 &rst
  ixpk= 1734, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1819,1824,
 &end
#
#  112 PRO  HD+          44 CYSS HN          4.00    (#   1735:10  Unique         4.28, 5.28 A)
 &rst
  ixpk= 1735, nxpk= 10, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1765,1766,
 &end
#
#   41 CYSS HA           45 LYS  HN          6.00    (#   1736:10  Unique         5.25, 5.80 A)
 &rst
  ixpk= 1736, nxpk= 10, iat= 667, 721, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   45 LYS  HE+          45 LYS  HN          6.00    (#   1737:10  Unique         3.65, 4.60 A)
 &rst
  ixpk= 1737, nxpk= 10, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 734, 735,
 &end
#
#   44 CYSS HB+          45 LYS  HN          4.00    (#   1738:10  Unique         2.53, 3.74 A)
 &rst
  ixpk= 1738, nxpk= 10, iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 715, 716,
 &end
#
#   46 GLU  HN           48 MET  HN          6.00    (#   1740:10  Unique         3.53, 3.92 A)
 &rst
  ixpk= 1740, nxpk= 10, iat= 743, 768, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   46 GLU  HA           48 MET  HN          5.00    (#   1741:10  Unique         3.49, 3.66 A)
 &rst
  ixpk= 1741, nxpk= 10, iat= 745, 768, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1742    48 MET  HN          5.00    (#   1742:10  Single Ambig)
 &rst
  ixpk= 1742, nxpk= 10, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 792, 793, 731, 732,
 &end
#
#   55 ARG  HN           53 GLU  HN          6.00    (#   1743:10  Unique         3.10, 3.47 A)
 &rst
  ixpk= 1743, nxpk= 10, iat= 881, 846, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   52 ASN  HD2+         53 GLU  HN          4.00    (#   1744:10  Unique         1.88, 3.26 A)
 &rst
  ixpk= 1744, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 841, 842,
 &end
#
#    0 AMB  10-2:1745    53 GLU  HN          6.00    (#   1745:10  Single Ambig)
 &rst
  ixpk= 1745, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 863, 770,
 &end
#
#   51 VAL  HA           53 GLU  HN          5.00    (#   1746:10  Unique         3.78, 3.96 A)
 &rst
  ixpk= 1746, nxpk= 10, iat= 818, 846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PHE  HB+          53 GLU  HN          6.00    (#   1747:10  Unique         3.73, 4.53 A)
 &rst
  ixpk= 1747, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 865, 866,
 &end
#
#   51 VAL  MGX          53 GLU  HN          6.00    (#   1748:10  Unique         4.88, 6.19 A)
 &rst
  ixpk= 1748, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   54 PHE  HA           56 ASP  HN          5.00    (#   1749:10  Unique         4.00, 4.93 A)
 &rst
  ixpk= 1749, nxpk= 10, iat= 863, 905, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1751    83 GLU  HN          6.00    (#   1751:10  Single Ambig)
 &rst
  ixpk= 1751, nxpk= 10, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 283, 284, 285, 287, 288, 289, 648, 649, 650,
 &end
#
#    0 AMB  10-2:1752     0 AMB  10-1:1752   6.00    (#   1752:10  Double Ambig)
 &rst
  ixpk= 1752, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 701, 702, 703, 705, 706, 707,1228,1229,1230,1232,
      1233,1234,
 igr2= 743,1195,
 &end
#
#   85 ALA  HN           83 GLU  HN          5.00    (#   1753:10  Unique         3.35, 3.92 A)
 &rst
  ixpk= 1753, nxpk= 10, iat=1363,1334, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 CYSS HN           46 GLU  HN          4.00    (#   1754:10  Unique         3.67, 3.87 A)
 &rst
  ixpk= 1754, nxpk= 10, iat= 711, 743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 ILE  HN           83 GLU  HN          4.00    (#   1755:10  Unique         3.66, 4.02 A)
 &rst
  ixpk= 1755, nxpk= 10, iat=1293,1334, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1756     0 AMB  10-1:1756   4.00    (#   1756:10  Double Ambig)
 &rst
  ixpk= 1756, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 930, 931,2233,2234,
 igr2= 861,2302,
 &end
#
#    0 AMB  10-2:1757    56 ASP  HN          6.00    (#   1757:10  Single Ambig)
 &rst
  ixpk= 1757, nxpk= 10, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 924, 925,1045,1046,1047,1049,1050,1051,
 &end
#
#   65 VAL  HN           64 VAL  HN          5.00    (#   1758:10  Unique         4.09, 4.36 A)
 &rst
  ixpk= 1758, nxpk= 10, iat=1055,1039, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ASN  HN           64 VAL  HN          5.00    (#   1759:10  Unique         4.03, 4.44 A)
 &rst
  ixpk= 1759, nxpk= 10, iat=1025,1039, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 LEU  HN           65 VAL  HN          5.00    (#   1760:10  Unique         3.42, 3.79 A)
 &rst
  ixpk= 1760, nxpk= 10, iat= 525,1055, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 VAL  HN           65 VAL  HN          5.00    (#   1761:10  Unique         4.09, 4.36 A)
 &rst
  ixpk= 1761, nxpk= 10, iat=1039,1055, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HD2          65 VAL  HN          4.00    (#   1762:10  Unique         3.51, 4.03 A)
 &rst
  ixpk= 1762, nxpk= 10, iat= 576,1055, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 VAL  HB           65 VAL  HN          4.00    (#   1763:10  Unique         3.93, 4.32 A)
 &rst
  ixpk= 1763, nxpk= 10, iat=1043,1055, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 LEU  HB+          65 VAL  HN          6.00    (#   1764:10  Unique         3.56, 4.66 A)
 &rst
  ixpk= 1764, nxpk= 10, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 529, 530,
 &end
#
#   34 ILE  QG2          65 VAL  HN          6.00    (#   1765:10  Unique         4.02, 5.42 A)
 &rst
  ixpk= 1765, nxpk= 10, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 550, 551, 552,
 &end
#
#    0 AMB  10-2:1766    65 VAL  HN          5.00    (#   1766:10  Single Ambig)
 &rst
  ixpk= 1766, nxpk= 10, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 424, 425, 426, 428, 429, 430, 335, 336, 337, 339,
       340, 341,
 &end
#
#    0 AMB  10-2:1767    65 VAL  HN          6.00    (#   1767:10  Single Ambig)
 &rst
  ixpk= 1767, nxpk= 10, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
 igr1= 424, 425, 426, 428, 429, 430,1015,1016,1017,1019,
      1020,1021,1501,1502,
 &end
#
#   74 ASP  HA           76 LEU  HN          4.00    (#   1768:10  Unique         3.50, 3.61 A)
 &rst
  ixpk= 1768, nxpk= 10, iat=1197,1219, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 ASP  HB-          76 LEU  HN          4.00    (#   1769:10  Unique         3.76, 4.75 A)
 &rst
  ixpk= 1769, nxpk= 10, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1242,1243,
 &end
#
#   77 ASP  HB+          76 LEU  HN          4.00    (#   1770:10  Unique         3.76, 4.75 A)
 &rst
  ixpk= 1770, nxpk= 10, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1242,1243,
 &end
#
#   75 ASP  HB-          76 LEU  HN          5.00    (#   1771:10  Unique         3.19, 4.17 A)
 &rst
  ixpk= 1771, nxpk= 10, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1211,1212,
 &end
#
#   52 ASN  HB+          91 THR  HN          5.00    (#   1772:10  Unique         3.79, 4.76 A)
 &rst
  ixpk= 1772, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 836, 837,
 &end
#
#   52 ASN  HA           91 THR  HN          6.00    (#   1773:10  Unique         2.52, 3.01 A)
 &rst
  ixpk= 1773, nxpk= 10, iat= 834,1446, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   91 THR  HB           91 THR  HN          4.00    (#   1774:10  Unique         3.63, 3.76 A)
 &rst
  ixpk= 1774, nxpk= 10, iat=1450,1446, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3 LEU  HN            2 LYS  HN          5.00    (#   1780:10  Unique         4.25, 4.35 A)
 &rst
  ixpk= 1780, nxpk= 10, iat=  43,  21, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    2 LYS  HN            3 LEU  HN          5.00    (#   1781:10  Unique         4.25, 4.35 A)
 &rst
  ixpk= 1781, nxpk= 10, iat=  21,  43, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1782    23 ARG  HN          6.00    (#   1782:10  Single Ambig)
 &rst
  ixpk= 1782, nxpk= 10, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 398, 345,
 &end
#
#   10 LEU  MDX          23 ARG  HN          6.00    (#   1783:10  Unique         1.94, 4.85 A)
 &rst
  ixpk= 1783, nxpk= 10, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 172, 173, 174, 176, 177, 178,
 &end
#
#   23 ARG  HN           25 GLN  HN          6.00    (#   1784:10  Unique         3.93, 4.15 A)
 &rst
  ixpk= 1784, nxpk= 10, iat= 359, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 LEU  HN           32 THR  HN          6.00    (#   1785:10  Unique         4.39, 4.49 A)
 &rst
  ixpk= 1785, nxpk= 10, iat= 525, 511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  117 PHE  HE           34 ILE  HN          4.00    (#   1786:10  Unique         2.00, 4.64 A)
 &rst
  ixpk= 1786, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1856,1860,
 &end
#
#  117 PHE  HD           34 ILE  HN          5.00    (#   1787:10  Unique         2.80, 5.08 A)
 &rst
  ixpk= 1787, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1854,1862,
 &end
#
#   34 ILE  HB           35 HIS  HN          6.00    (#   1788:10  Unique         3.79, 4.08 A)
 &rst
  ixpk= 1788, nxpk= 10, iat= 548, 563, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 ILE  HN           40 SER  HN          5.00    (#   1789:10  Unique         2.31, 2.59 A)
 &rst
  ixpk= 1789, nxpk= 10, iat= 635, 654, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLN  HB+          25 GLN  HE2+        5.00    (#   1790:10  Unique         1.95, 3.88 A)
 &rst
  ixpk= 1790, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 402, 403,
 igr2= 410, 411,
 &end
#
#    0 AMB  10-2:1791     0 AMB  10-1:1791   6.00    (#   1791:10  Double Ambig)
 &rst
  ixpk= 1791, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 390, 391, 402, 403,
 igr2= 410, 411, 410, 411,
 &end
#
#   22 THR  MG2          25 GLN  HE2+        5.00    (#   1792:10  Unique         4.46, 6.49 A)
 &rst
  ixpk= 1792, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 351, 352, 353,
 igr2= 410, 411,
 &end
#
#   21 VAL  MGX          25 GLN  HE2+        6.00    (#   1793:10  Unique         2.51, 5.69 A)
 &rst
  ixpk= 1793, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 335, 336, 337, 339, 340, 341,
 igr2= 410, 411,
 &end
#
#   25 GLN  HA           25 GLN  HE2+        6.00    (#   1794:10  Unique         3.66, 5.14 A)
 &rst
  ixpk= 1794, nxpk= 10, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 410, 411,
 &end
#
#   21 VAL  HA           25 GLN  HE2+        6.00    (#   1795:10  Unique         2.40, 4.51 A)
 &rst
  ixpk= 1795, nxpk= 10, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 410, 411,
 &end
#
#  113 ALA  MB          129 GLY  HN          5.00    (#   1796:10  Unique         3.23, 4.72 A)
 &rst
  ixpk= 1796, nxpk= 10, iat=  -1,2045, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1782,1783,1784,
 &end
#
#    0 AMB  10-2:1797   129 GLY  HN          6.00    (#   1797:10  Single Ambig)
 &rst
  ixpk= 1797, nxpk= 10, iat=  -1,2045, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 696, 697,2022,2023,
 &end
#
#  110 TYR  HN          109 GLU  HN          4.00    (#   1799:10  Unique         1.62, 2.12 A)
 &rst
  ixpk= 1799, nxpk= 10, iat=1727,1712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  109 GLU  HA          109 GLU  HN          4.00    (#   1800:10  Unique         2.17, 2.75 A)
 &rst
  ixpk= 1800, nxpk= 10, iat=1714,1712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  109 GLU  HG-         109 GLU  HN          5.00    (#   1801:10  Unique         3.92, 4.62 A)
 &rst
  ixpk= 1801, nxpk= 10, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1719,1720,
 &end
#
#  109 GLU  HB-         109 GLU  HN          4.00    (#   1802:10  Unique         2.25, 3.18 A)
 &rst
  ixpk= 1802, nxpk= 10, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1716,1717,
 &end
#
#  102 LEU  HG          102 LEU  HN          5.00    (#   1803:10  Unique         2.20, 3.87 A)
 &rst
  ixpk= 1803, nxpk= 10, iat=1615,1608, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  101 ALA  HA          102 LEU  HN          4.00    (#   1804:10  Unique         3.49, 3.54 A)
 &rst
  ixpk= 1804, nxpk= 10, iat=1600,1608, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  118 ASP  HN          124 ARG  HN          6.00    (#   1805:10  Unique         3.15, 3.48 A)
 &rst
  ixpk= 1805, nxpk= 10, iat=1866,1957, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  117 PHE  HD          124 ARG  HN          6.00    (#   1806:10  Unique         3.88, 5.19 A)
 &rst
  ixpk= 1806, nxpk= 10, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1854,1862,
 &end
#
#  124 ARG  HG+         124 ARG  HN          5.00    (#   1807:10  Unique         2.16, 3.72 A)
 &rst
  ixpk= 1807, nxpk= 10, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1964,1965,
 &end
#
#  116 VAL  HB          117 PHE  HN          6.00    (#   1808:10  Unique         3.83, 4.29 A)
 &rst
  ixpk= 1808, nxpk= 10, iat=1834,1846, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:1809   117 PHE  HN          6.00    (#   1809:10  Single Ambig)
 &rst
  ixpk= 1809, nxpk= 10, iat=  -1,1846, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 504, 505, 554, 555,
 &end
#
#    0 AMB  10-2:1810   117 PHE  HN          6.00    (#   1810:10  Single Ambig)
 &rst
  ixpk= 1810, nxpk= 10, iat=  -1,1846, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 554, 555, 517, 518, 519,
 &end
#
#    0 AMB  10-2:1811   117 PHE  HN          6.00    (#   1811:10  Single Ambig)
 &rst
  ixpk= 1811, nxpk= 10, iat=  -1,1846, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 534, 535, 536, 538, 539, 540,1010,1011,
 &end
#
#  117 PHE  HD          117 PHE  HN          3.00    (#   1812:10  Unique         1.94, 3.67 A)
 &rst
  ixpk= 1812, nxpk= 10, iat=  -1,1846, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1854,1862,
 &end
#
#  119 LYS  HA           30 LYS  HN          4.00    (#   1813:10  Unique         3.89, 4.15 A)
 &rst
  ixpk= 1813, nxpk= 10, iat=1880, 475, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1814    30 LYS  HN          4.00    (#   1814:10  Single Ambig)
 &rst
  ixpk= 1814, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 436, 498, 499,
 &end
#
#  117 PHE  HE          123 LEU  HN          4.00    (#   1815:10  Unique         3.52, 5.74 A)
 &rst
  ixpk= 1815, nxpk= 10, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1856,1860,
 &end
#
#    0 AMB  10-2:1816   123 LEU  HN          4.00    (#   1816:10  Single Ambig)
 &rst
  ixpk= 1816, nxpk= 10, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  86,  98,  99,
 &end
#
#  122 GLN  HN          123 LEU  HN          5.00    (#   1817:10  Unique         4.18, 4.35 A)
 &rst
  ixpk= 1817, nxpk= 10, iat=1921,1938, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  116 VAL  HN          117 PHE  HN          6.00    (#   1818:10  Unique         4.15, 4.38 A)
 &rst
  ixpk= 1818, nxpk= 10, iat=1830,1846, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   63 ASN  HB+          33 LEU  HN          6.00    (#   1819:10  Unique         2.76, 3.62 A)
 &rst
  ixpk= 1819, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1029,1030,
 &end
#
#   38 SER  HB-          69 MET  HN          4.00    (#   1820:10  Unique         2.23, 4.01 A)
 &rst
  ixpk= 1820, nxpk= 10, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 628, 629,
 &end
#
#   69 MET  HG-          69 MET  HN          5.00    (#   1821:10  Unique         2.85, 4.13 A)
 &rst
  ixpk= 1821, nxpk= 10, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1121,1122,
 &end
#
#  102 LEU  HG          103 THR  HN          6.00    (#   1825:10  Unique         2.39, 5.03 A)
 &rst
  ixpk= 1825, nxpk= 10, iat=1615,1627, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  101 ALA  MB          103 THR  HN          6.00    (#   1826:10  Unique         4.84, 5.44 A)
 &rst
  ixpk= 1826, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1602,1603,1604,
 &end
#
#  108 ASN  HB-         103 THR  HN          6.00    (#   1827:10  Unique         3.07, 6.06 A)
 &rst
  ixpk= 1827, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1702,1703,
 &end
#
#   67 VAL  MGY          67 VAL  HN          6.00    (#   1828:10  Unique         1.93, 4.11 A)
 &rst
  ixpk= 1828, nxpk= 10, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1087,1088,1089,1091,1092,1093,
 &end
#
#    0 AMB  10-2:1829    67 VAL  HN          5.00    (#   1829:10  Single Ambig)
 &rst
  ixpk= 1829, nxpk= 10, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 550, 551, 552,1433,1434,1435,
 &end
#
#    0 AMB  10-2:1830     0 AMB  10-1:1830   5.00    (#   1830:10  Double Ambig)
 &rst
  ixpk= 1830, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 440, 441, 442,1497,1498,1499,
 igr2= 460,1081,
 &end
#
#    0 AMB  10-2:1831    52 ASN  HN          5.00    (#   1831:10  Single Ambig)
 &rst
  ixpk= 1831, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 803, 804, 806, 807, 806, 807,1467,1468, 772, 773,
      
 &end
#
#   53 GLU  HG+          52 ASN  HN          5.00    (#   1832:10  Unique         2.92, 4.05 A)
 &rst
  ixpk= 1832, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 853, 854,
 &end
#
#   50 GLN  HA           52 ASN  HN          5.00    (#   1833:10  Unique         3.37, 3.67 A)
 &rst
  ixpk= 1833, nxpk= 10, iat= 801, 832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 ASN  HD2-         52 ASN  HN          5.00    (#   1834:10  Unique         1.83, 3.55 A)
 &rst
  ixpk= 1834, nxpk= 10, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 841, 842,
 &end
#
#   55 ARG  HN           52 ASN  HN          6.00    (#   1835:10  Unique         4.33, 4.74 A)
 &rst
  ixpk= 1835, nxpk= 10, iat= 881, 832, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  136 LEU  MDX         114 TYR  HN          6.00    (#   1836:10  Unique         3.78, 6.22 A)
 &rst
  ixpk= 1836, nxpk= 10, iat=  -1,1788, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2142,2143,2144,2146,2147,2148,
 &end
#
#   32 THR  HG1           0 AMB  10-1:1837   5.00    (#   1837:10  Single Ambig)
 &rst
  ixpk= 1837, nxpk= 10, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1034,1035, 434,
 &end
#
#   32 THR  HG1          63 ASN  HD2+        4.00    (#   1838:10  Unique         2.39, 3.29 A)
 &rst
  ixpk= 1838, nxpk= 10, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1034,1035,
 &end
#
#   32 THR  HA           63 ASN  HD2+        6.00    (#   1839:10  Unique         1.92, 3.28 A)
 &rst
  ixpk= 1839, nxpk= 10, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1034,1035,
 &end
#
#   32 THR  HA           63 ASN  HD2-        5.00    (#   1840:10  Unique         1.92, 3.28 A)
 &rst
  ixpk= 1840, nxpk= 10, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1034,1035,
 &end
#
#   63 ASN  HA           63 ASN  HD2-        6.00    (#   1841:10  Unique         3.87, 4.37 A)
 &rst
  ixpk= 1841, nxpk= 10, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1034,1035,
 &end
#
#   63 ASN  HA           63 ASN  HD2+        6.00    (#   1842:10  Unique         3.87, 4.37 A)
 &rst
  ixpk= 1842, nxpk= 10, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1034,1035,
 &end
#
#   63 ASN  HB+          63 ASN  HD2-        4.00    (#   1843:10  Unique         2.10, 3.26 A)
 &rst
  ixpk= 1843, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1029,1030,
 igr2=1034,1035,
 &end
#
#   63 ASN  HB-          63 ASN  HD2-        4.00    (#   1844:10  Unique         2.10, 3.26 A)
 &rst
  ixpk= 1844, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1029,1030,
 igr2=1034,1035,
 &end
#
#  117 PHE  HB+          63 ASN  HD2+        6.00    (#   1845:10  Unique         5.52, 7.36 A)
 &rst
  ixpk= 1845, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1850,1851,
 igr2=1034,1035,
 &end
#
#   63 ASN  HB+          63 ASN  HD2+        4.00    (#   1846:10  Unique         2.10, 3.26 A)
 &rst
  ixpk= 1846, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1029,1030,
 igr2=1034,1035,
 &end
#
#   30 LYS  HB+          63 ASN  HD2+        4.00    (#   1847:10  Unique         2.59, 4.07 A)
 &rst
  ixpk= 1847, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 479, 480,
 igr2=1034,1035,
 &end
#
#    0 AMB  10-2:1848     0 AMB  10-1:1848   4.00    (#   1848:10  Double Ambig)
 &rst
  ixpk= 1848, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 422, 363, 364,
 igr2=1034,1035,1034,1035,
 &end
#
#   32 THR  MG2          63 ASN  HD2+        5.00    (#   1850:10  Unique         2.85, 5.02 A)
 &rst
  ixpk= 1850, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 517, 518, 519,
 igr2=1034,1035,
 &end
#
#   65 VAL  MGX          63 ASN  HD2+        5.00    (#   1851:10  Unique         5.33, 7.85 A)
 &rst
  ixpk= 1851, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1061,1062,1063,1065,1066,1067,
 igr2=1034,1035,
 &end
#
#    0 AMB  10-2:1852     0 AMB  10-1:1852   5.00    (#   1852:10  Double Ambig)
 &rst
  ixpk= 1852, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=2219,2220,2221,2223,2224,2225, 924, 925,
 igr2=2152, 881,
 &end
#
#  136 LEU  MDX         137 GLU  HN          4.00    (#   1853:10  Unique         2.66, 5.23 A)
 &rst
  ixpk= 1853, nxpk= 10, iat=  -1,2152, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2142,2143,2144,2146,2147,2148,
 &end
#
#  136 LEU  MDX         139 ARG  HN          5.00    (#   1854:10  Unique         3.32, 5.31 A)
 &rst
  ixpk= 1854, nxpk= 10, iat=  -1,2189, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2142,2143,2144,2146,2147,2148,
 &end
#
#  140 VAL  MGX         139 ARG  HN          5.00    (#   1855:10  Unique         3.72, 6.06 A)
 &rst
  ixpk= 1855, nxpk= 10, iat=  -1,2189, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#   51 VAL  MGX          92 GLN  HE2-        4.00    (#   1856:10  Unique         1.91, 4.08 A)
 &rst
  ixpk= 1856, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2=1472,1473,
 &end
#
#   91 THR  MG2          89 ASP  HN          6.00    (#   1857:10  Unique         5.32, 6.38 A)
 &rst
  ixpk= 1857, nxpk= 10, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1452,1453,1454,
 &end
#
#   90 ILE  HG1-         89 ASP  HN          5.00    (#   1858:10  Unique         2.29, 3.06 A)
 &rst
  ixpk= 1858, nxpk= 10, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1437,1438,
 &end
#
#   85 ALA  MB           89 ASP  HN          5.00    (#   1859:10  Unique         4.68, 5.99 A)
 &rst
  ixpk= 1859, nxpk= 10, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1367,1368,1369,
 &end
#
#   90 ILE  HB           89 ASP  HN          5.00    (#   1860:10  Unique         3.83, 4.73 A)
 &rst
  ixpk= 1860, nxpk= 10, iat=1431,1415, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1861    89 ASP  HN          5.00    (#   1861:10  Single Ambig)
 &rst
  ixpk= 1861, nxpk= 10, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1387,1388, 820,
 &end
#
#   88 HIS  HB+          89 ASP  HN          4.00    (#   1862:10  Unique         2.09, 2.64 A)
 &rst
  ixpk= 1862, nxpk= 10, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1402,1403,
 &end
#
#    0 AMB  10-2:1863    89 ASP  HN          5.00    (#   1863:10  Single Ambig)
 &rst
  ixpk= 1863, nxpk= 10, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1387,1388,1467,1468,
 &end
#
#   88 HIS  HB-          89 ASP  HN          4.00    (#   1864:10  Unique         2.09, 2.64 A)
 &rst
  ixpk= 1864, nxpk= 10, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1402,1403,
 &end
#
#   83 GLU  HB+          84 THR  HN          5.00    (#   1865:10  Unique         2.47, 2.99 A)
 &rst
  ixpk= 1865, nxpk= 10, iat=  -1,1349, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1338,1339,
 &end
#
#  102 LEU  HA          106 PHE  HN          5.00    (#   1867:10  Unique         3.88, 4.17 A)
 &rst
  ixpk= 1867, nxpk= 10, iat=1610,1663, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  104 ASP  HA          106 PHE  HN          5.00    (#   1868:10  Unique         4.89, 5.14 A)
 &rst
  ixpk= 1868, nxpk= 10, iat=1643,1663, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 GLN  HB-          56 ASP  HN          5.00    (#   1869:10  Unique         3.89, 5.01 A)
 &rst
  ixpk= 1869, nxpk= 10, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 964, 965,
 &end
#
#    0 AMB  10-2:1870    56 ASP  HN          6.00    (#   1870:10  Single Ambig)
 &rst
  ixpk= 1870, nxpk= 10, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 964, 965, 967, 968, 853, 854,
 &end
#
#    0 AMB  10-2:1871     0 AMB  10-1:1871   4.00    (#   1871:10  Double Ambig)
 &rst
  ixpk= 1871, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1727,1698,
 igr2=1707,1708,1707,1708,
 &end
#
#  110 TYR  HN          108 ASN  HD2-        4.00    (#   1872:10  Unique         2.52, 4.06 A)
 &rst
  ixpk= 1872, nxpk= 10, iat=1727,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1707,1708,
 &end
#
#  108 ASN  HA          108 ASN  HD2+        6.00    (#   1874:10  Unique         1.74, 2.76 A)
 &rst
  ixpk= 1874, nxpk= 10, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1707,1708,
 &end
#
#   36 PHE  HD          108 ASN  HD2-        5.00    (#   1876:10  Unique         1.93, 5.88 A)
 &rst
  ixpk= 1876, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 588, 596,
 igr2=1707,1708,
 &end
#
#  115 TYR  HE          108 ASN  HD2-        6.00    (#   1877:10  Unique         5.93, 9.35 A)
 &rst
  ixpk= 1877, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1819,1824,
 igr2=1707,1708,
 &end
#
#  115 TYR  HE          108 ASN  HD2+        6.00    (#   1878:10  Unique         5.93, 9.35 A)
 &rst
  ixpk= 1878, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1819,1824,
 igr2=1707,1708,
 &end
#
#    0 AMB  10-2:1881     0 AMB  10-1:1881   5.00    (#   1881:10  Double Ambig)
 &rst
  ixpk= 1881, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=  88,  23,
 igr2=  98,  99,  98,  99,
 &end
#
#    0 AMB  10-2:1888    18 ASN  HD2-        5.00    (#   1888:10  Single Ambig)
 &rst
  ixpk= 1888, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 295,1450,
 igr2= 302, 303,
 &end
#
#   94 ILE  HG1+         18 ASN  HD2-        5.00    (#   1889:10  Unique         2.13, 4.08 A)
 &rst
  ixpk= 1889, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1501,1502,
 igr2= 302, 303,
 &end
#
#   90 ILE  QG2          18 ASN  HD2-        6.00    (#   1890:10  Unique         1.92, 5.70 A)
 &rst
  ixpk= 1890, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1433,1434,1435,
 igr2= 302, 303,
 &end
#
#   94 ILE  HG1-         18 ASN  HD2-        6.00    (#   1891:10  Unique         2.13, 4.08 A)
 &rst
  ixpk= 1891, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1501,1502,
 igr2= 302, 303,
 &end
#
#    0 AMB  10-2:1892    18 ASN  HD2-        6.00    (#   1892:10  Single Ambig)
 &rst
  ixpk= 1892, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1367,1368,1369, 885, 886,
 igr2= 302, 303,
 &end
#
#   56 ASP  HA           58 TYR  HN          5.00    (#   1893:10  Unique         3.79, 4.53 A)
 &rst
  ixpk= 1893, nxpk= 10, iat= 907, 939, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 GLN  HB-          58 TYR  HN          5.00    (#   1894:10  Unique         3.63, 4.72 A)
 &rst
  ixpk= 1894, nxpk= 10, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 964, 965,
 &end
#
#  146 GLU  HG+         147 THR  HN          5.00    (#   1895:10  Unique         1.89, 3.87 A)
 &rst
  ixpk= 1895, nxpk= 10, iat=  -1,2327, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2319,2320,
 &end
#
#  146 GLU  HG-         147 THR  HN          5.00    (#   1896:10  Unique         1.89, 3.87 A)
 &rst
  ixpk= 1896, nxpk= 10, iat=  -1,2327, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2319,2320,
 &end
#
#   30 LYS  HN           28 GLY  HN          5.00    (#   1900:10  Unique         3.20, 3.63 A)
 &rst
  ixpk= 1900, nxpk= 10, iat= 475, 453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   95 PHE  HE           12 GLY  HN          6.00    (#   1902:10  Unique         2.12, 7.00 A)
 &rst
  ixpk= 1902, nxpk= 10, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1520,1524,
 &end
#
#   62 LEU  MDY          33 LEU  HN          4.00    (#   1905:10  Unique         1.95, 4.20 A)
 &rst
  ixpk= 1905, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1015,1016,1017,1019,1020,1021,
 &end
#
#    0 AMB  10-2:1906    33 LEU  HN          5.00    (#   1906:10  Single Ambig)
 &rst
  ixpk= 1906, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 557, 558, 559,1836,1837,1838,1840,1841,1842,
 &end
#
#    0 AMB  10-2:1907    33 LEU  HN          4.00    (#   1907:10  Single Ambig)
 &rst
  ixpk= 1907, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1061,1062,1063,1065,1066,1067, 534, 535, 536, 538,
       539, 540,
 &end
#
#   65 VAL  HN           33 LEU  HN          4.00    (#   1908:10  Unique         3.42, 3.79 A)
 &rst
  ixpk= 1908, nxpk= 10, iat=1055, 525, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLN  HN           57 LYS  HN          5.00    (#   1910:10  Unique         3.21, 3.59 A)
 &rst
  ixpk= 1910, nxpk= 10, iat= 960, 917, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 THR  HB          104 ASP  HN          5.00    (#   1914:10  Unique         3.04, 3.77 A)
 &rst
  ixpk= 1914, nxpk= 10, iat=1631,1641, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 THR  HN          104 ASP  HN          4.00    (#   1915:10  Unique         2.67, 2.80 A)
 &rst
  ixpk= 1915, nxpk= 10, iat=1627,1641, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 ASP  HN           58 TYR  HN          4.00    (#   1916:10  Unique         3.73, 4.56 A)
 &rst
  ixpk= 1916, nxpk= 10, iat= 905, 939, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1917    58 TYR  HN          6.00    (#   1917:10  Single Ambig)
 &rst
  ixpk= 1917, nxpk= 10, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 881, 989,
 &end
#
#   58 TYR  HB-          59 GLN  HN          4.00    (#   1918:10  Unique         3.00, 4.07 A)
 &rst
  ixpk= 1918, nxpk= 10, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 943, 944,
 &end
#
#   11 THR  HA           11 THR  HN          5.00    (#   1919:10  Unique         2.91, 2.92 A)
 &rst
  ixpk= 1919, nxpk= 10, iat= 184, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 LYS  HB+          59 GLN  HN          5.00    (#   1920:10  Unique         4.43, 5.21 A)
 &rst
  ixpk= 1920, nxpk= 10, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 921, 922,
 &end
#
#    0 AMB  10-2:1921     0 AMB  10-1:1921   3.00    (#   1921:10  Double Ambig)
 &rst
  ixpk= 1921, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1195,2283,
 igr2=1207,2267,
 &end
#
#  141 ASN  HN          143 VAL  HN          6.00    (#   1922:10  Unique         4.48, 4.82 A)
 &rst
  ixpk= 1922, nxpk= 10, iat=2229,2267, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  140 VAL  HN          143 VAL  HN          6.00    (#   1923:10  Unique         4.55, 4.78 A)
 &rst
  ixpk= 1923, nxpk= 10, iat=2213,2267, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 ILE  QG2          81 ILE  HN          5.00    (#   1924:10  Unique         4.46, 5.59 A)
 &rst
  ixpk= 1924, nxpk= 10, iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 641, 642, 643,
 &end
#
#    0 AMB  10-2:1925    81 ILE  HN          6.00    (#   1925:10  Single Ambig)
 &rst
  ixpk= 1925, nxpk= 10, iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 283, 284, 285, 287, 288, 289,1536,1537,1538,1540,
      1541,1542,
 &end
#
#   79 GLY  HN           81 ILE  HN          6.00    (#   1926:10  Unique         3.45, 3.60 A)
 &rst
  ixpk= 1926, nxpk= 10, iat=1264,1293, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   80 LYS  HA           83 GLU  HN          3.00    (#   1927:10  Unique         3.06, 3.42 A)
 &rst
  ixpk= 1927, nxpk= 10, iat=1273,1334, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 ALA  HN           84 THR  HN          5.00    (#   1928:10  Unique         3.65, 3.92 A)
 &rst
  ixpk= 1928, nxpk= 10, iat=1373,1349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  139 ARG  HN          141 ASN  HN          4.00    (#   1929:10  Unique         4.26, 4.83 A)
 &rst
  ixpk= 1929, nxpk= 10, iat=2189,2229, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  123 LEU  HN          122 GLN  HN          5.00    (#   1930:10  Unique         4.18, 4.35 A)
 &rst
  ixpk= 1930, nxpk= 10, iat=1938,1921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HD          122 GLN  HN          4.00    (#   1931:10  Unique         2.95, 5.30 A)
 &rst
  ixpk= 1931, nxpk= 10, iat=  -1,1921, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1854,1862,
 &end
#
#  117 PHE  HA          122 GLN  HN          5.00    (#   1932:10  Unique         3.72, 3.89 A)
 &rst
  ixpk= 1932, nxpk= 10, iat=1848,1921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  123 LEU  HA          122 GLN  HN          5.00    (#   1933:10  Unique         4.65, 4.77 A)
 &rst
  ixpk= 1933, nxpk= 10, iat=1940,1921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  120 THR  MG2         122 GLN  HN          5.00    (#   1934:10  Unique         2.30, 3.70 A)
 &rst
  ixpk= 1934, nxpk= 10, iat=  -1,1921, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1906,1907,1908,
 &end
#
#    0 AMB  10-2:1935     0 AMB  10-1:1935   5.00    (#   1935:10  Double Ambig)
 &rst
  ixpk= 1935, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 128, 129, 130,1615,
 igr2=1921,1683,
 &end
#
#    0 AMB  10-2:1936     0 AMB  10-1:1936   6.00    (#   1936:10  Double Ambig)
 &rst
  ixpk= 1936, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 447, 448, 449,1617,1618,1619,1621,1622,1623,
 igr2=1921,1683,
 &end
#
#    0 AMB  10-2:1937     0 AMB  10-1:1937   6.00    (#   1937:10  Double Ambig)
 &rst
  ixpk= 1937, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 440, 441, 442,1947,1948,1949,1951,1952,1953, 648,
       649, 650,
 igr2=1921,1373,
 &end
#
#    0 AMB  10-2:1938     4 ARG  HN          4.00    (#   1938:10  Single Ambig)
 &rst
  ixpk= 1938, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  66,  67,1925,1926,1928,1929,
 &end
#
#    0 AMB  10-2:1939    12 GLY  HN          5.00    (#   1939:10  Single Ambig)
 &rst
  ixpk= 1939, nxpk= 10, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 167, 168,1602,1603,1604,
 &end
#
#   17 LEU  HN           19 GLY  HN          6.00    (#   1940:10  Unique         2.41, 3.38 A)
 &rst
  ixpk= 1940, nxpk= 10, iat= 274, 307, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 ILE  HN           19 GLY  HN          5.00    (#   1941:10  Unique         2.71, 3.10 A)
 &rst
  ixpk= 1941, nxpk= 10, iat=1491, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 ILE  HB           19 GLY  HN          5.00    (#   1942:10  Unique         4.50, 4.93 A)
 &rst
  ixpk= 1942, nxpk= 10, iat=1495, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 VAL  HN           20 GLU  HN          4.00    (#   1943:10  Unique         2.30, 4.23 A)
 &rst
  ixpk= 1943, nxpk= 10, iat= 329, 314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 GLU  HB-          20 GLU  HN          3.00    (#   1944:10  Unique         2.07, 3.07 A)
 &rst
  ixpk= 1944, nxpk= 10, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 318, 319,
 &end
#
#   28 GLY  HN           27 ILE  HN          5.00    (#   1945:10  Unique         3.87, 4.57 A)
 &rst
  ixpk= 1945, nxpk= 10, iat= 453, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ASN  HD2+         27 ILE  HN          4.00    (#   1946:10  Unique         3.95, 4.99 A)
 &rst
  ixpk= 1946, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1034,1035,
 &end
#
#    0 AMB  10-2:1947    27 ILE  HN          5.00    (#   1947:10  Single Ambig)
 &rst
  ixpk= 1947, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 402, 403, 387, 388,
 &end
#
#   87 GLU  HN           85 ALA  HN          4.00    (#   1948:10  Unique         3.68, 3.89 A)
 &rst
  ixpk= 1948, nxpk= 10, iat=1383,1363, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1950    85 ALA  HN          5.00    (#   1950:10  Single Ambig)
 &rst
  ixpk= 1950, nxpk= 10, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1375,1273,
 &end
#
#   83 GLU  HA           85 ALA  HN          5.00    (#   1951:10  Unique         4.08, 4.58 A)
 &rst
  ixpk= 1951, nxpk= 10, iat=1336,1363, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 ILE  HA           85 ALA  HN          5.00    (#   1953:10  Unique         2.40, 2.98 A)
 &rst
  ixpk= 1953, nxpk= 10, iat=1295,1363, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1954    85 ALA  HN          5.00    (#   1954:10  Single Ambig)
 &rst
  ixpk= 1954, nxpk= 10, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 639,1338,1339,
 &end
#
#   39 ILE  QG2          85 ALA  HN          4.00    (#   1955:10  Unique         3.07, 4.39 A)
 &rst
  ixpk= 1955, nxpk= 10, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 641, 642, 643,
 &end
#
#   17 LEU  MDY          85 ALA  HN          6.00    (#   1956:10  Unique         3.01, 5.58 A)
 &rst
  ixpk= 1956, nxpk= 10, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#   17 LEU  MDX          85 ALA  HN          5.00    (#   1957:10  Unique         3.01, 5.58 A)
 &rst
  ixpk= 1957, nxpk= 10, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#   81 ILE  QG2          85 ALA  HN          5.00    (#   1958:10  Unique         2.59, 4.34 A)
 &rst
  ixpk= 1958, nxpk= 10, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1299,1300,1301,
 &end
#
#   90 ILE  QD1          85 ALA  HN          5.00    (#   1959:10  Unique         4.33, 5.56 A)
 &rst
  ixpk= 1959, nxpk= 10, iat=  -1,1363, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1440,1441,1442,
 &end
#
#    0 AMB  10-2:1962    84 THR  HN          5.00    (#   1962:10  Single Ambig)
 &rst
  ixpk= 1962, nxpk= 10, iat=  -1,1349, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1314,1365,
 &end
#
#  139 ARG  HA          141 ASN  HN          5.00    (#   1963:10  Unique         4.43, 4.98 A)
 &rst
  ixpk= 1963, nxpk= 10, iat=2191,2229, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1964   141 ASN  HN          6.00    (#   1964:10  Single Ambig)
 &rst
  ixpk= 1964, nxpk= 10, iat=  -1,2229, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2245,2285,
 &end
#
#    0 AMB  10-2:1965    84 THR  HN          5.00    (#   1965:10  Single Ambig)
 &rst
  ixpk= 1965, nxpk= 10, iat=  -1,1349, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1281,1282,1322,1323,
 &end
#
#   87 GLU  HG-          88 HIS  HN          5.00    (#   1966:10  Unique         2.82, 5.11 A)
 &rst
  ixpk= 1966, nxpk= 10, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1390,1391,
 &end
#
#   85 ALA  MB           88 HIS  HN          5.00    (#   1967:10  Unique         4.67, 5.15 A)
 &rst
  ixpk= 1967, nxpk= 10, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1367,1368,1369,
 &end
#
#   90 ILE  HG1+         88 HIS  HN          5.00    (#   1968:10  Unique         3.68, 4.47 A)
 &rst
  ixpk= 1968, nxpk= 10, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1437,1438,
 &end
#
#   92 GLN  HA           91 THR  HN          5.00    (#   1969:10  Unique         4.38, 4.57 A)
 &rst
  ixpk= 1969, nxpk= 10, iat=1462,1446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1973    95 PHE  HN          6.00    (#   1973:10  Single Ambig)
 &rst
  ixpk= 1973, nxpk= 10, iat=  -1,1510, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1495,1059,
 &end
#
#  102 LEU  HN          101 ALA  HN          5.00    (#   1974:10  Unique         2.68, 2.80 A)
 &rst
  ixpk= 1974, nxpk= 10, iat=1608,1598, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1975   116 VAL  HN          4.00    (#   1975:10  Single Ambig)
 &rst
  ixpk= 1975, nxpk= 10, iat=  -1,1830, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1957,1809,
 &end
#
#   31 PRO  HA          119 LYS  HN          4.00    (#   1976:10  Unique         3.03, 3.16 A)
 &rst
  ixpk= 1976, nxpk= 10, iat= 507,1878, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  120 THR  MG2         119 LYS  HN          4.00    (#   1977:10  Unique         4.64, 5.89 A)
 &rst
  ixpk= 1977, nxpk= 10, iat=  -1,1878, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1906,1907,1908,
 &end
#
#  121 GLY  HA-         120 THR  HN          5.00    (#   1978:10  Unique         3.94, 4.64 A)
 &rst
  ixpk= 1978, nxpk= 10, iat=  -1,1900, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1916,1917,
 &end
#
#  119 LYS  HE+         120 THR  HN          6.00    (#   1979:10  Unique         2.88, 4.54 A)
 &rst
  ixpk= 1979, nxpk= 10, iat=  -1,1900, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1891,1892,
 &end
#
#    0 AMB  10-2:1980   120 THR  HN          6.00    (#   1980:10  Single Ambig)
 &rst
  ixpk= 1980, nxpk= 10, iat=  -1,1900, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1925,1926,1928,1929,
 &end
#
#    0 AMB  10-2:1981   123 LEU  HN          5.00    (#   1981:10  Single Ambig)
 &rst
  ixpk= 1981, nxpk= 10, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1866, 117,
 &end
#
#    4 ARG  HN          123 LEU  HN          5.00    (#   1982:10  Unique         3.48, 3.85 A)
 &rst
  ixpk= 1982, nxpk= 10, iat=  62,1938, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  124 ARG  HN          123 LEU  HN          6.00    (#   1983:10  Unique         4.29, 4.40 A)
 &rst
  ixpk= 1983, nxpk= 10, iat=1957,1938, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  122 GLN  HG-         123 LEU  HN          5.00    (#   1984:10  Unique         3.06, 4.27 A)
 &rst
  ixpk= 1984, nxpk= 10, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1928,1929,
 &end
#
#  127 GLN  HN          126 PHE  HN          5.00    (#   1985:10  Unique         4.15, 4.31 A)
 &rst
  ixpk= 1985, nxpk= 10, iat=2018,1998, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 HIS  HN          126 PHE  HN          5.00    (#   1986:10  Unique         4.15, 4.33 A)
 &rst
  ixpk= 1986, nxpk= 10, iat=1981,1998, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 HIS  HB+         126 PHE  HN          4.00    (#   1987:10  Unique         2.42, 3.77 A)
 &rst
  ixpk= 1987, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1985,1986,
 &end
#
#  142 ARG  HN          140 VAL  HN          4.00    (#   1988:10  Unique         3.43, 3.58 A)
 &rst
  ixpk= 1988, nxpk= 10, iat=2243,2213, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  138 LYS  HN          140 VAL  HN          5.00    (#   1989:10  Unique         3.47, 3.73 A)
 &rst
  ixpk= 1989, nxpk= 10, iat=2167,2213, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  141 ASN  HA          140 VAL  HN          5.00    (#   1992:10  Unique         5.16, 5.31 A)
 &rst
  ixpk= 1992, nxpk= 10, iat=2231,2213, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  138 LYS  HA          140 VAL  HN          5.00    (#   1993:10  Unique         3.58, 3.86 A)
 &rst
  ixpk= 1993, nxpk= 10, iat=2169,2213, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  136 LEU  HA          140 VAL  HN          5.00    (#   1994:10  Unique         3.65, 4.17 A)
 &rst
  ixpk= 1994, nxpk= 10, iat=2135,2213, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1995   140 VAL  HN          5.00    (#   1995:10  Single Ambig)
 &rst
  ixpk= 1995, nxpk= 10, iat=  -1,2213, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2233,2234,2199,2200,
 &end
#
#    0 AMB  10-2:1996   140 VAL  HN          5.00    (#   1996:10  Single Ambig)
 &rst
  ixpk= 1996, nxpk= 10, iat=  -1,2213, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2199,2200,1792,1793,
 &end
#
#  141 ASN  HB+         140 VAL  HN          6.00    (#   1997:10  Unique         4.38, 5.63 A)
 &rst
  ixpk= 1997, nxpk= 10, iat=  -1,2213, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2233,2234,
 &end
#
#    0 AMB  10-2:1998   140 VAL  HN          5.00    (#   1998:10  Single Ambig)
 &rst
  ixpk= 1998, nxpk= 10, iat=  -1,2213, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=2159,2160,2156,2157,2127,2128,2129,
 &end
#
#    0 AMB  10-2:1999   140 VAL  HN          4.00    (#   1999:10  Single Ambig)
 &rst
  ixpk= 1999, nxpk= 10, iat=  -1,2213, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2196,2197,2174,2175,
 &end
#
#    0 AMB  10-2:2000   140 VAL  HN          5.00    (#   2000:10  Single Ambig)
 &rst
  ixpk= 2000, nxpk= 10, iat=  -1,2213, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 534, 535, 536, 538, 539, 540,2273,2274,2275,2277,
      2278,2279,2273,2274,2275,2277,2278,2279,
 &end
#
#  139 ARG  HG-         140 VAL  HN          5.00    (#   2001:10  Unique         4.03, 4.91 A)
 &rst
  ixpk= 2001, nxpk= 10, iat=  -1,2213, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2196,2197,
 &end
#
#  143 VAL  HN          141 ASN  HN          5.00    (#   2003:10  Unique         4.48, 4.82 A)
 &rst
  ixpk= 2003, nxpk= 10, iat=2267,2229, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  142 ARG  HN          144 LEU  HN          4.00    (#   2005:10  Unique         3.45, 3.69 A)
 &rst
  ixpk= 2005, nxpk= 10, iat=2243,2283, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:2006   144 LEU  HN          5.00    (#   2006:10  Single Ambig)
 &rst
  ixpk= 2006, nxpk= 10, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2304,2314,
 &end
#
#  140 VAL  HA          144 LEU  HN          5.00    (#   2007:10  Unique         3.82, 4.37 A)
 &rst
  ixpk= 2007, nxpk= 10, iat=2215,2283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  144 LEU  HN          146 GLU  HN          5.00    (#   2008:10  Unique         3.42, 3.67 A)
 &rst
  ixpk= 2008, nxpk= 10, iat=2283,2312, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2009   146 GLU  HN          6.00    (#   2009:10  Single Ambig)
 &rst
  ixpk= 2009, nxpk= 10, iat=  -1,2312, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279,
 &end
#
#    0 AMB  10-2:2011   108 ASN  HN          5.00    (#   2011:10  Single Ambig)
 &rst
  ixpk= 2011, nxpk= 10, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1665,1714,
 &end
#
#  115 TYR  HE          115 TYR  HN          5.00    (#   2012:10  Unique         3.71, 5.11 A)
 &rst
  ixpk= 2012, nxpk= 10, iat=  -1,1809, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1819,1824,
 &end
#
#   67 VAL  HB           37 TRP  HN          4.00    (#   2013:10  Unique         3.60, 4.22 A)
 &rst
  ixpk= 2013, nxpk= 10, iat=1085, 600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 PHE  HB+          37 TRP  HN          5.00    (#   2014:10  Unique         3.45, 4.17 A)
 &rst
  ixpk= 2014, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 584, 585,
 &end
#
#    6 PRO  HD-           5 GLN  HN          5.00    (#   2015:10  Unique         2.33, 3.58 A)
 &rst
  ixpk= 2015, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 104, 105,
 &end
#
#  123 LEU  HB-           5 GLN  HN          3.00    (#   2016:10  Unique         2.31, 3.30 A)
 &rst
  ixpk= 2016, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1942,1943,
 &end
#
#  148 GLU  HG+         148 GLU  HN          3.00    (#   2017:10  Unique         2.76, 4.30 A)
 &rst
  ixpk= 2017, nxpk= 10, iat=  -1,2341, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2348,2349,
 &end
#
#   10 LEU  MDY          11 THR  HN          4.00    (#   2023:10  Unique         3.90, 5.52 A)
 &rst
  ixpk= 2023, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 172, 173, 174, 176, 177, 178,
 &end
#
#   12 GLY  HN           11 THR  HN          6.00    (#   2024:10  Unique         3.82, 4.26 A)
 &rst
  ixpk= 2024, nxpk= 10, iat= 196, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 LYS  HN           15 ALA  HN          4.00    (#   2026:10  Unique         1.81, 2.53 A)
 &rst
  ixpk= 2026, nxpk= 10, iat= 218, 240, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 ALA  HA           15 ALA  HN          4.00    (#   2027:10  Unique         2.75, 2.86 A)
 &rst
  ixpk= 2027, nxpk= 10, iat= 242, 240, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 VAL  HB           15 ALA  HN          4.00    (#   2028:10  Unique         1.88, 2.81 A)
 &rst
  ixpk= 2028, nxpk= 10, iat=1534, 240, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 ALA  MB           15 ALA  HN          6.00    (#   2030:10  Unique         2.41, 3.42 A)
 &rst
  ixpk= 2030, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 244, 245, 246,
 &end
#
#   93 PRO  HA           17 LEU  HN          6.00    (#   2031:10  Unique         5.01, 5.51 A)
 &rst
  ixpk= 2031, nxpk= 10, iat=1487, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 TRP  HB-          19 GLY  HN          4.00    (#   2033:10  Unique         2.73, 4.31 A)
 &rst
  ixpk= 2033, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 254, 255,
 &end
#
#   26 LEU  HG           22 THR  HN          4.00    (#   2034:10  Unique         3.36, 4.56 A)
 &rst
  ixpk= 2034, nxpk= 10, iat= 422, 345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 GLN  HG+          22 THR  HN          4.00    (#   2035:10  Unique         2.96, 4.46 A)
 &rst
  ixpk= 2035, nxpk= 10, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 405, 406,
 &end
#
#   22 THR  HB           22 THR  HN          4.00    (#   2036:10  Unique         3.21, 3.52 A)
 &rst
  ixpk= 2036, nxpk= 10, iat= 349, 345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:2037    23 ARG  HN          4.00    (#   2037:10  Single Ambig)
 &rst
  ixpk= 2037, nxpk= 10, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 170, 121, 122,
 &end
#
#   22 THR  MG2          23 ARG  HN          4.00    (#   2038:10  Unique         3.09, 4.27 A)
 &rst
  ixpk= 2038, nxpk= 10, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 351, 352, 353,
 &end
#
#    0 AMB  10-2:2039    25 GLN  HN          4.00    (#   2039:10  Single Ambig)
 &rst
  ixpk= 2039, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 351, 352, 353, 517, 518, 519,
 &end
#
#    0 AMB  10-2:2040    25 GLN  HN          5.00    (#   2040:10  Single Ambig)
 &rst
  ixpk= 2040, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 419, 420, 366, 367,
 &end
#
#    0 AMB  10-2:2041    25 GLN  HN          5.00    (#   2041:10  Single Ambig)
 &rst
  ixpk= 2041, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 424, 425, 426, 428, 429, 430, 335, 336, 337, 339,
       340, 341,
 &end
#
#   22 THR  HB           25 GLN  HN          4.00    (#   2042:10  Unique         3.62, 4.12 A)
 &rst
  ixpk= 2042, nxpk= 10, iat= 349, 398, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 GLN  HG-          26 LEU  HN          6.00    (#   2043:10  Unique         4.33, 5.17 A)
 &rst
  ixpk= 2043, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 405, 406,
 &end
#
#    0 AMB  10-2:2044    26 LEU  HN          5.00    (#   2044:10  Single Ambig)
 &rst
  ixpk= 2044, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 405, 406, 390, 391,
 &end
#
#   27 ILE  HG1-         26 LEU  HN          5.00    (#   2045:10  Unique         3.17, 4.12 A)
 &rst
  ixpk= 2045, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 444, 445,
 &end
#
#   27 ILE  QG2          26 LEU  HN          6.00    (#   2047:10  Unique         5.76, 6.26 A)
 &rst
  ixpk= 2047, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 440, 441, 442,
 &end
#
#  119 LYS  HB+          29 GLU  HN          4.00    (#   2048:10  Unique         1.94, 3.29 A)
 &rst
  ixpk= 2048, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1882,1883,
 &end
#
#   90 ILE  QG2          37 TRP  HE1         4.00    (#   2049:10  Unique         2.81, 5.47 A)
 &rst
  ixpk= 2049, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1433,1434,1435,
 &end
#
#    0 AMB  10-2:2050    37 TRP  HE1         5.00    (#   2050:10  Single Ambig)
 &rst
  ixpk= 2050, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 604, 605,1099,
 &end
#
#   67 VAL  HN           37 TRP  HE1         5.00    (#   2051:10  Unique         4.16, 4.86 A)
 &rst
  ixpk= 2051, nxpk= 10, iat=1081, 610, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2052    37 TRP  HE1         6.00    (#   2052:10  Single Ambig)
 &rst
  ixpk= 2052, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1071,1097,1055,
 &end
#
#   43 LEU  HA           45 LYS  HN          6.00    (#   2053:10  Unique         3.44, 4.00 A)
 &rst
  ixpk= 2053, nxpk= 10, iat= 694, 721, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 PRO  HD-          47 ALA  HN          4.00    (#   2054:10  Unique         2.97, 3.65 A)
 &rst
  ixpk= 2054, nxpk= 10, iat=  -1, 758, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 786, 787,
 &end
#
#   51 VAL  HA           50 GLN  HN          5.00    (#   2056:10  Unique         4.79, 4.91 A)
 &rst
  ixpk= 2056, nxpk= 10, iat= 818, 799, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 MET  HN           46 GLU  HN          4.00    (#   2057:10  Unique         3.53, 3.92 A)
 &rst
  ixpk= 2057, nxpk= 10, iat= 768, 743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 PRO  HD+          77 ASP  HN          4.00    (#   2062:10  Unique         4.06, 4.58 A)
 &rst
  ixpk= 2062, nxpk= 10, iat=  -1,1238, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1251,1252,
 &end
#
#   83 GLU  HB+          83 GLU  HN          4.00    (#   2063:10  Unique         2.02, 2.69 A)
 &rst
  ixpk= 2063, nxpk= 10, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1338,1339,
 &end
#
#    0 AMB  10-2:2065    95 PHE  HN          4.00    (#   2065:10  Single Ambig)
 &rst
  ixpk= 2065, nxpk= 10, iat=  -1,1510, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1097,1071,
 &end
#
#   96 VAL  MGY          96 VAL  HN          4.00    (#   2066:10  Unique         1.92, 3.77 A)
 &rst
  ixpk= 2066, nxpk= 10, iat=  -1,1530, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1536,1537,1538,1540,1541,1542,
 &end
#
#  100 HIS  HN          102 LEU  HN          6.00    (#   2068:10  Unique         4.93, 5.06 A)
 &rst
  ixpk= 2068, nxpk= 10, iat=1581,1608, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  128 ALA  MB          113 ALA  HN          5.00    (#   2071:10  Unique         4.83, 6.14 A)
 &rst
  ixpk= 2071, nxpk= 10, iat=  -1,1778, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2039,2040,2041,
 &end
#
#  115 TYR  HN          114 TYR  HN          6.00    (#   2072:10  Unique         3.75, 4.17 A)
 &rst
  ixpk= 2072, nxpk= 10, iat=1809,1788, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 ILE  HN          115 TYR  HN          4.00    (#   2075:10  Unique         2.81, 3.09 A)
 &rst
  ixpk= 2075, nxpk= 10, iat= 544,1809, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 VAL  HN           37 TRP  HN          4.00    (#   2076:10  Unique         2.54, 2.75 A)
 &rst
  ixpk= 2076, nxpk= 10, iat=1081, 600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:2077   116 VAL  HN          6.00    (#   2077:10  Single Ambig)
 &rst
  ixpk= 2077, nxpk= 10, iat=  -1,1830, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1983, 113,
 &end
#
#  118 ASP  HB+         118 ASP  HN          4.00    (#   2078:10  Unique         2.03, 2.86 A)
 &rst
  ixpk= 2078, nxpk= 10, iat=  -1,1866, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1870,1871,
 &end
#
#  124 ARG  HG-         118 ASP  HN          4.00    (#   2079:10  Unique         2.39, 3.83 A)
 &rst
  ixpk= 2079, nxpk= 10, iat=  -1,1866, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1964,1965,
 &end
#
#  124 ARG  HB+         118 ASP  HN          4.00    (#   2081:10  Unique         2.82, 4.45 A)
 &rst
  ixpk= 2081, nxpk= 10, iat=  -1,1866, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1961,1962,
 &end
#
#    0 AMB  10-2:2082   118 ASP  HN          5.00    (#   2082:10  Single Ambig)
 &rst
  ixpk= 2082, nxpk= 10, iat=  -1,1866, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1836,1837,1838,1840,1841,1842,1947,1948,1949,1951,
      1952,1953, 440, 441, 442,
 &end
#
#    0 AMB  10-2:2083   118 ASP  HN          5.00    (#   2083:10  Single Ambig)
 &rst
  ixpk= 2083, nxpk= 10, iat=  -1,1866, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279,
 &end
#
#   82 LYS  HB-          83 GLU  HN          3.00    (#   2087:10  Unique         2.46, 3.51 A)
 &rst
  ixpk= 2087, nxpk= 10, iat=  -1,1334, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1316,1317,
 &end
#
#   46 GLU  HG+          46 GLU  HN          3.00    (#   2088:10  Unique         2.01, 2.58 A)
 &rst
  ixpk= 2088, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 750, 751,
 &end
#
#  140 VAL  HA          142 ARG  HN          5.00    (#   2089:10  Unique         3.58, 3.81 A)
 &rst
  ixpk= 2089, nxpk= 10, iat=2215,2243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2090   142 ARG  HN          4.00    (#   2090:10  Single Ambig)
 &rst
  ixpk= 2090, nxpk= 10, iat=  -1,2243, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=2306,2307,2308,2193,2194,
 &end
#
#  114 TYR  HN          113 ALA  HN          6.00    (#   2091:10  Unique         4.29, 4.35 A)
 &rst
  ixpk= 2091, nxpk= 10, iat=1788,1778, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   66 ALA  HA           37 TRP  HE1         4.00    (#   2092:10  Unique         3.16, 4.14 A)
 &rst
  ixpk= 2092, nxpk= 10, iat=1073, 610, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:2093    37 TRP  HE1         4.00    (#   2093:10  Single Ambig)
 &rst
  ixpk= 2093, nxpk= 10, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1101,1102, 888, 889,
 &end
#
#  106 PHE  HD          107 GLU  HN          5.00    (#   2094:10  Unique         1.95, 4.32 A)
 &rst
  ixpk= 2094, nxpk= 10, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1671,1679,
 &end
#
#    0 AMB  10-2:2095   107 GLU  HN          4.00    (#   2095:10  Single Ambig)
 &rst
  ixpk= 2095, nxpk= 10, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1655,1700,
 &end
#
#  106 PHE  HA          107 GLU  HN          4.00    (#   2096:10  Unique         3.30, 3.47 A)
 &rst
  ixpk= 2096, nxpk= 10, iat=1665,1683, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   52 ASN  HA           55 ARG  HN          4.00    (#   2097:10  Unique         4.00, 4.24 A)
 &rst
  ixpk= 2097, nxpk= 10, iat= 834, 881, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 PHE  HB-          55 ARG  HN          4.00    (#   2098:10  Unique         2.69, 3.54 A)
 &rst
  ixpk= 2098, nxpk= 10, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 865, 866,
 &end
#
#   89 ASP  HB-          89 ASP  HN          4.00    (#   2099:10  Unique         3.00, 3.57 A)
 &rst
  ixpk= 2099, nxpk= 10, iat=  -1,1415, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1419,1420,
 &end
#
#    0 AMB  10-2:2100   138 LYS  HN          6.00    (#   2100:10  Single Ambig)
 &rst
  ixpk= 2100, nxpk= 10, iat=  -1,2167, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2180,2181,2199,2200,2107,2108,
 &end
#
#    0 AMB  10-2:2101     0 AMB  10-1:2101   5.00    (#   2101:10  Double Ambig)
 &rst
  ixpk= 2101, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1429,1365, 883,
 igr2=1472,1473,1415,
 &end
#
#   85 ALA  MB           90 ILE  HN          4.00    (#   2102:10  Unique         4.78, 6.09 A)
 &rst
  ixpk= 2102, nxpk= 10, iat=  -1,1427, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1367,1368,1369,
 &end
#
#   35 HIS  HA          113 ALA  HN          6.00    (#   2104:10  Unique         3.96, 4.09 A)
 &rst
  ixpk= 2104, nxpk= 10, iat= 565,1778, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 PHE  HA          113 ALA  HN          5.00    (#   2105:10  Unique         4.22, 4.57 A)
 &rst
  ixpk= 2105, nxpk= 10, iat= 582,1778, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 TRP  HA          113 ALA  HN          5.00    (#   2106:10  Unique         4.21, 4.38 A)
 &rst
  ixpk= 2106, nxpk= 10, iat= 602,1778, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 ASP  HB-          52 ASN  HD2+        5.00    (#   2108:10  Unique         2.74, 4.93 A)
 &rst
  ixpk= 2108, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1419,1420,
 igr2= 841, 842,
 &end
#
#   89 ASP  HB-          52 ASN  HD2-        5.00    (#   2109:10  Unique         2.74, 4.93 A)
 &rst
  ixpk= 2109, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1419,1420,
 igr2= 841, 842,
 &end
#
#   52 ASN  HB+          52 ASN  HD2-        5.00    (#   2110:10  Unique         2.13, 3.33 A)
 &rst
  ixpk= 2110, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 836, 837,
 igr2= 841, 842,
 &end
#
#   95 PHE  HA           17 LEU  HN          5.00    (#   2111:10  Unique         2.72, 3.41 A)
 &rst
  ixpk= 2111, nxpk= 10, iat=1512, 274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2112    92 GLN  HE2-        5.00    (#   2112:10  Single Ambig)
 &rst
  ixpk= 2112, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 608, 871, 875,
 igr2=1472,1473,
 &end
#
#   92 GLN  HG-          92 GLN  HE2-        6.00    (#   2113:10  Unique         2.10, 3.25 A)
 &rst
  ixpk= 2113, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1467,1468,
 igr2=1472,1473,
 &end
#
#   90 ILE  QG2          92 GLN  HE2-        6.00    (#   2114:10  Unique         1.99, 6.06 A)
 &rst
  ixpk= 2114, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1433,1434,1435,
 igr2=1472,1473,
 &end
#
#    0 AMB  10-2:2115   107 GLU  HN          3.00    (#   2115:10  Single Ambig)
 &rst
  ixpk= 2115, nxpk= 10, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1690,1691,1702,1703,
 &end
#
#  107 GLU  HB+         106 PHE  HN          6.00    (#   2116:10  Unique         4.36, 5.09 A)
 &rst
  ixpk= 2116, nxpk= 10, iat=  -1,1663, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1687,1688,
 &end
#
#   78 PRO  HA           80 LYS  HN          5.00    (#   2117:10  Unique         3.66, 3.88 A)
 &rst
  ixpk= 2117, nxpk= 10, iat=1260,1271, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2118    80 LYS  HN          5.00    (#   2118:10  Single Ambig)
 &rst
  ixpk= 2118, nxpk= 10, iat=  -1,1271, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1338,1339,1254,1255,
 &end
#
#  101 ALA  MB          101 ALA  HN          4.00    (#   2119:10  Unique         1.97, 2.81 A)
 &rst
  ixpk= 2119, nxpk= 10, iat=  -1,1598, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1602,1603,1604,
 &end
#
#  101 ALA  HA          101 ALA  HN          4.00    (#   2120:10  Unique         2.68, 2.72 A)
 &rst
  ixpk= 2120, nxpk= 10, iat=1600,1598, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  118 ASP  HA          120 THR  HN          5.00    (#   2121:10  Unique         3.77, 3.87 A)
 &rst
  ixpk= 2121, nxpk= 10, iat=1868,1900, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 HIS  HB+          87 GLU  HN          6.00    (#   2122:10  Unique         4.11, 5.03 A)
 &rst
  ixpk= 2122, nxpk= 10, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1402,1403,
 &end
#
#    0 AMB  10-2:2123    86 ALA  HN          5.00    (#   2123:10  Single Ambig)
 &rst
  ixpk= 2123, nxpk= 10, iat=  -1,1373, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1353,1400,
 &end
#
#  140 VAL  HN          142 ARG  HN          5.00    (#   2126:10  Unique         3.43, 3.58 A)
 &rst
  ixpk= 2126, nxpk= 10, iat=2213,2243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  144 LEU  HN          142 ARG  HN          4.00    (#   2127:10  Unique         3.45, 3.69 A)
 &rst
  ixpk= 2127, nxpk= 10, iat=2283,2243, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 PRO  HD-          77 ASP  HN          4.00    (#   2128:10  Unique         4.06, 4.58 A)
 &rst
  ixpk= 2128, nxpk= 10, iat=  -1,1238, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1251,1252,
 &end
#
#    0 AMB  10-2:2129   135 MET  HN          5.00    (#   2129:10  Single Ambig)
 &rst
  ixpk= 2129, nxpk= 10, iat=  -1,2116, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=2118,2063,2064,2054,2055,
 &end
#
#   56 ASP  HB+          55 ARG  HE          4.00    (#   2132:10  Unique         2.45, 5.71 A)
 &rst
  ixpk= 2132, nxpk= 10, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 909, 910,
 &end
#
#    0 AMB  10-2:2136    55 ARG  HE          5.00    (#   2136:10  Single Ambig)
 &rst
  ixpk= 2136, nxpk= 10, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 883,1429,
 &end
#
#   52 ASN  HA           55 ARG  HE          5.00    (#   2137:10  Unique         3.47, 6.22 A)
 &rst
  ixpk= 2137, nxpk= 10, iat= 834, 894, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 ASP  HA           55 ARG  HE          6.00    (#   2138:10  Unique         2.11, 4.74 A)
 &rst
  ixpk= 2138, nxpk= 10, iat= 907, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   64 VAL  MGX          55 ARG  HE          6.00    (#   2140:10  Unique         1.88, 7.06 A)
 &rst
  ixpk= 2140, nxpk= 10, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1045,1046,1047,1049,1050,1051,
 &end
#
#   55 ARG  HB+          55 ARG  HE          4.00    (#   2141:10  Unique         1.80, 4.24 A)
 &rst
  ixpk= 2141, nxpk= 10, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 885, 886,
 &end
#
#    0 AMB  10-2:2142    55 ARG  HE          4.00    (#   2142:10  Single Ambig)
 &rst
  ixpk= 2142, nxpk= 10, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 885, 886,1464,1465, 909, 910,
 &end
#
#   17 LEU  HB-          18 ASN  HN          5.00    (#   2145:10  Unique         3.50, 4.26 A)
 &rst
  ixpk= 2145, nxpk= 10, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 278, 279,
 &end
#
#    0 AMB  10-2:2146     0 AMB  10-1:2146   5.00    (#   2146:10  Double Ambig)
 &rst
  ixpk= 2146, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 548,1101,1102,
 igr2=1809, 600,
 &end
#
#    0 AMB  10-2:2147     0 AMB  10-1:2147   4.00    (#   2147:10  Double Ambig)
 &rst
  ixpk= 2147, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1792,1793,1771,1772,
 igr2=1809, 600,
 &end
#
#    0 AMB  10-2:2148   115 TYR  HN          4.00    (#   2148:10  Single Ambig)
 &rst
  ixpk= 2148, nxpk= 10, iat=  -1,1809, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1792,1793,2002,2003,
 &end
#
#    7 MET  HG-           7 MET  HN          4.00    (#   2151:10  Unique         1.83, 2.96 A)
 &rst
  ixpk= 2151, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 124, 125,
 &end
#
#   49 PRO  HB-          50 GLN  HE2+        6.00    (#   2152:10  Unique         3.49, 5.30 A)
 &rst
  ixpk= 2152, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 792, 793,
 igr2= 811, 812,
 &end
#
#   20 GLU  HB+          16 TRP  HE1         5.00    (#   2153:10  Unique         3.47, 5.82 A)
 &rst
  ixpk= 2153, nxpk= 10, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 318, 319,
 &end
#
#   20 GLU  HG+          16 TRP  HE1         5.00    (#   2154:10  Unique         2.94, 5.18 A)
 &rst
  ixpk= 2154, nxpk= 10, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 321, 322,
 &end
#
#   20 GLU  HG-          16 TRP  HE1         5.00    (#   2155:10  Unique         2.94, 5.18 A)
 &rst
  ixpk= 2155, nxpk= 10, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 321, 322,
 &end
#
#   20 GLU  HB-          16 TRP  HE1         4.00    (#   2156:10  Unique         3.47, 5.82 A)
 &rst
  ixpk= 2156, nxpk= 10, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 318, 319,
 &end
#
#    0 AMB  10-2:2158     0 AMB  10-1:2158   4.00    (#   2158:10  Double Ambig)
 &rst
  ixpk= 2158, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 482, 483,1882,1883,
 igr2=1034,1035,1034,1035,
 &end
#
#   88 HIS  HN           86 ALA  HN          5.00    (#   2160:10  Unique         3.72, 3.86 A)
 &rst
  ixpk= 2160, nxpk= 10, iat=1398,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 THR  HN           86 ALA  HN          5.00    (#   2161:10  Unique         3.65, 3.92 A)
 &rst
  ixpk= 2161, nxpk= 10, iat=1349,1373, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LEU  MDY          44 CYSS HN          5.00    (#   2162:10  Unique         2.75, 5.66 A)
 &rst
  ixpk= 2162, nxpk= 10, iat=  -1, 711, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 701, 702, 703, 705, 706, 707,
 &end
#
#   38 SER  HB+          38 SER  HN          5.00    (#   2163:10  Unique         2.76, 3.32 A)
 &rst
  ixpk= 2163, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 628, 629,
 &end
#
#    0 AMB  10-2:2166   139 ARG  HN          3.00    (#   2166:10  Single Ambig)
 &rst
  ixpk= 2166, nxpk= 10, iat=  -1,2189, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2174,2175,2196,2197,
 &end
#
#  138 LYS  HB+         139 ARG  HN          3.00    (#   2167:10  Unique         2.75, 3.69 A)
 &rst
  ixpk= 2167, nxpk= 10, iat=  -1,2189, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2171,2172,
 &end
#
#   76 LEU  HB-          76 LEU  HN          3.00    (#   2168:10  Unique         2.04, 2.71 A)
 &rst
  ixpk= 2168, nxpk= 10, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1223,1224,
 &end
#
#  111 VAL  HN          110 TYR  HN          5.00    (#   2169:10  Unique         1.78, 2.55 A)
 &rst
  ixpk= 2169, nxpk= 10, iat=1748,1727, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 PHE  HE          110 TYR  HN          6.00    (#   2171:10  Unique         2.11, 5.48 A)
 &rst
  ixpk= 2171, nxpk= 10, iat=  -1,1727, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1673,1677,
 &end
#
#   65 VAL  HN           64 VAL  HA          3.00    (#     10:20  Unique         2.18, 2.19 A)
 &rst
  ixpk= 10, nxpk= 20, iat=1055,1041, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   33 LEU  HN           32 THR  HA          3.00    (#     11:20  Unique         2.16, 2.25 A)
 &rst
  ixpk= 11, nxpk= 20, iat= 525, 513, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN  HN           32 THR  HA          4.00    (#     12:20  Unique         2.24, 2.62 A)
 &rst
  ixpk= 12, nxpk= 20, iat=1025, 513, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  117 PHE  HN          116 VAL  HA          3.00    (#     13:20  Unique         2.18, 2.21 A)
 &rst
  ixpk= 13, nxpk= 20, iat=1846,1832, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   33 LEU  HA          116 VAL  HA          4.00    (#     14:20  Unique         2.14, 2.52 A)
 &rst
  ixpk= 14, nxpk= 20, iat= 527,1832, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 HIS  HN           34 ILE  HA          3.00    (#     15:20  Unique         2.18, 2.20 A)
 &rst
  ixpk= 15, nxpk= 20, iat= 563, 546, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   12 GLY  HN           11 THR  HA          4.00    (#     16:20  Unique         2.16, 2.27 A)
 &rst
  ixpk= 16, nxpk= 20, iat= 196, 184, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 PHE  HN           94 ILE  HA          3.00    (#     17:20  Unique         2.18, 2.24 A)
 &rst
  ixpk= 17, nxpk= 20, iat=1510,1493, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   35 HIS  HA          114 TYR  HA          5.00    (#     18:20  Unique         1.82, 1.96 A)
 &rst
  ixpk= 18, nxpk= 20, iat= 565,1790, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  126 PHE  HA          115 TYR  HA          3.00    (#     19:20  Unique         1.95, 2.18 A)
 &rst
  ixpk= 19, nxpk= 20, iat=2000,1811, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  115 TYR  HN          114 TYR  HA          3.00    (#     20:20  Unique         2.19, 2.23 A)
 &rst
  ixpk= 20, nxpk= 20, iat=1809,1790, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  115 TYR  HN          115 TYR  HA          5.00    (#     21:20  Unique         2.92, 2.94 A)
 &rst
  ixpk= 21, nxpk= 20, iat=1809,1811, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  116 VAL  HN          115 TYR  HA          3.00    (#     22:20  Unique         2.19, 2.28 A)
 &rst
  ixpk= 22, nxpk= 20, iat=1830,1811, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   17 LEU  HN           16 TRP  HA          3.00    (#     23:20  Unique         2.21, 2.24 A)
 &rst
  ixpk= 23, nxpk= 20, iat= 274, 252, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   37 TRP  HN           36 PHE  HA          3.00    (#     24:20  Unique         2.19, 2.20 A)
 &rst
  ixpk= 24, nxpk= 20, iat= 600, 582, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   67 VAL  HN           36 PHE  HA          5.00    (#     25:20  Unique         2.16, 2.39 A)
 &rst
  ixpk= 25, nxpk= 20, iat=1081, 582, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  118 ASP  HN          117 PHE  HA          3.00    (#     27:20  Unique         2.20, 2.25 A)
 &rst
  ixpk= 27, nxpk= 20, iat=1866,1848, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   58 TYR  HN           58 TYR  HA          4.00    (#     28:20  Unique         2.83, 2.92 A)
 &rst
  ixpk= 28, nxpk= 20, iat= 939, 941, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLN  HN           58 TYR  HA          4.00    (#     29:20  Unique         2.84, 3.15 A)
 &rst
  ixpk= 29, nxpk= 20, iat= 960, 941, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 SER  HN           37 TRP  HA          4.00    (#     31:20  Unique         2.45, 2.51 A)
 &rst
  ixpk= 31, nxpk= 20, iat= 624, 602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  127 GLN  HN          126 PHE  HA          3.00    (#     32:20  Unique         2.21, 2.35 A)
 &rst
  ixpk= 32, nxpk= 20, iat=2018,2000, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  126 PHE  HN          126 PHE  HA          4.00    (#     33:20  Unique         2.78, 2.88 A)
 &rst
  ixpk= 33, nxpk= 20, iat=1998,2000, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 ILE  HN           33 LEU  HA          3.00    (#     36:20  Unique         2.18, 2.19 A)
 &rst
  ixpk= 36, nxpk= 20, iat= 544, 527, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN  HN           63 ASN  HA          4.00    (#     38:20  Unique         2.75, 2.82 A)
 &rst
  ixpk= 38, nxpk= 20, iat=1025,1027, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 VAL  HN           63 ASN  HA          3.00    (#     39:20  Unique         2.25, 2.28 A)
 &rst
  ixpk= 39, nxpk= 20, iat=1039,1027, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN  HD2-         63 ASN  HA          4.00    (#     40:20  Unique         3.87, 4.37 A)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1034,1035,
 &end
#
#   36 PHE  HN           35 HIS  HA          3.00    (#     42:20  Unique         2.20, 2.23 A)
 &rst
  ixpk= 42, nxpk= 20, iat= 580, 565, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   64 VAL  MGY          64 VAL  HA          3.00    (#     60:20  Unique         2.22, 3.13 A)
 &rst
  ixpk= 60, nxpk= 20, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1045,1046,1047,1049,1050,1051,
 &end
#
#   65 VAL  MGX          64 VAL  HA          4.00    (#     61:20  Unique         3.22, 4.95 A)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1061,1062,1063,1065,1066,1067,
 &end
#
#   63 ASN  HB+          32 THR  HA          5.00    (#     62:20  Unique         1.94, 2.90 A)
 &rst
  ixpk= 62, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1029,1030,
 &end
#
#   62 LEU  MDX          32 THR  HA          5.00    (#     63:20  Unique         2.09, 4.55 A)
 &rst
  ixpk= 63, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1015,1016,1017,1019,1020,1021,
 &end
#
#   63 ASN  HB-          32 THR  HA          4.00    (#     64:20  Unique         1.94, 2.90 A)
 &rst
  ixpk= 64, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1029,1030,
 &end
#
#   32 THR  MG2          32 THR  HA          3.00    (#     65:20  Unique         2.34, 3.21 A)
 &rst
  ixpk= 65, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 517, 518, 519,
 &end
#
#   33 LEU  MDY         116 VAL  HA          6.00    (#     66:20  Unique         2.07, 4.97 A)
 &rst
  ixpk= 66, nxpk= 20, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#    0 AMB  20-2:67     116 VAL  HA          3.00    (#     67:20  Single Ambig)
 &rst
  ixpk= 67, nxpk= 20, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
      1841,1842,
 &end
#
#   34 ILE  HG1+         34 ILE  HA          4.00    (#     68:20  Unique         2.46, 3.04 A)
 &rst
  ixpk= 68, nxpk= 20, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 554, 555,
 &end
#
#   34 ILE  HG1-         34 ILE  HA          4.00    (#     69:20  Unique         2.46, 3.04 A)
 &rst
  ixpk= 69, nxpk= 20, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 554, 555,
 &end
#
#   34 ILE  QG2          34 ILE  HA          4.00    (#     70:20  Unique         2.10, 2.94 A)
 &rst
  ixpk= 70, nxpk= 20, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 550, 551, 552,
 &end
#
#   11 THR  MG2          11 THR  HA          5.00    (#     71:20  Unique         3.56, 3.94 A)
 &rst
  ixpk= 71, nxpk= 20, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 188, 189, 190,
 &end
#
#   11 THR  HB           11 THR  HA          5.00    (#     72:20  Unique         2.38, 2.43 A)
 &rst
  ixpk= 72, nxpk= 20, iat= 186, 184, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 ILE  QG2          94 ILE  HA          3.00    (#     76:20  Unique         2.12, 2.98 A)
 &rst
  ixpk= 76, nxpk= 20, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1497,1498,1499,
 &end
#
#    0 AMB  20-2:77      94 ILE  HA          5.00    (#     77:20  Single Ambig)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1495,1059,
 &end
#
#   66 ALA  MB           94 ILE  HA          4.00    (#     78:20  Unique         2.66, 4.01 A)
 &rst
  ixpk= 78, nxpk= 20, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1075,1076,1077,
 &end
#
#  114 TYR  HB-         114 TYR  HA          4.00    (#     80:20  Unique         2.32, 2.62 A)
 &rst
  ixpk= 80, nxpk= 20, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1792,1793,
 &end
#
#  114 TYR  HB+         114 TYR  HA          5.00    (#     81:20  Unique         2.32, 2.62 A)
 &rst
  ixpk= 81, nxpk= 20, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1792,1793,
 &end
#
#  126 PHE  HA          115 TYR  HA          3.00    (#     82:20  Unique         1.95, 2.18 A)
 &rst
  ixpk= 82, nxpk= 20, iat=2000,1811, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  115 TYR  HB-         115 TYR  HA          5.00    (#     83:20  Unique         2.32, 2.73 A)
 &rst
  ixpk= 83, nxpk= 20, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1813,1814,
 &end
#
#  115 TYR  HB+         115 TYR  HA          4.00    (#     84:20  Unique         2.32, 2.73 A)
 &rst
  ixpk= 84, nxpk= 20, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1813,1814,
 &end
#
#    0 AMB  20-2:85     115 TYR  HA          5.00    (#     85:20  Single Ambig)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1947,1948,1949,1951,1952,1953,1836,1837,1838,1840,
      1841,1842,
 &end
#
#  123 LEU  MDY         115 TYR  HA          4.00    (#     86:20  Unique         2.93, 4.77 A)
 &rst
  ixpk= 86, nxpk= 20, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1947,1948,1949,1951,1952,1953,
 &end
#
#   96 VAL  MGY          16 TRP  HA          6.00    (#     87:20  Unique         2.94, 5.74 A)
 &rst
  ixpk= 87, nxpk= 20, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1536,1537,1538,1540,1541,1542,
 &end
#
#   36 PHE  HB-          36 PHE  HA          5.00    (#     88:20  Unique         2.55, 2.90 A)
 &rst
  ixpk= 88, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 584, 585,
 &end
#
#   16 TRP  HB+          16 TRP  HA          4.00    (#     89:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 89, nxpk= 20, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 254, 255,
 &end
#
#   16 TRP  HB-          16 TRP  HA          3.00    (#     90:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 90, nxpk= 20, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 254, 255,
 &end
#
#   67 VAL  HB           36 PHE  HA          4.00    (#     91:20  Unique         1.98, 2.89 A)
 &rst
  ixpk= 91, nxpk= 20, iat=1085, 582, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  123 LEU  HA          117 PHE  HA          4.00    (#     92:20  Unique         2.07, 2.42 A)
 &rst
  ixpk= 92, nxpk= 20, iat=1940,1848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  117 PHE  HB-         117 PHE  HA          5.00    (#     93:20  Unique         2.44, 2.79 A)
 &rst
  ixpk= 93, nxpk= 20, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1850,1851,
 &end
#
#  117 PHE  HB+         117 PHE  HA          4.00    (#     94:20  Unique         2.44, 2.79 A)
 &rst
  ixpk= 94, nxpk= 20, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1850,1851,
 &end
#
#   58 TYR  HB-          58 TYR  HA          4.00    (#     95:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 95, nxpk= 20, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 943, 944,
 &end
#
#   58 TYR  HB+          58 TYR  HA          3.00    (#     96:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 96, nxpk= 20, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 943, 944,
 &end
#
#    0 AMB  20-2:97      58 TYR  HA          6.00    (#     97:20  Single Ambig)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 993, 994,1010,1011,
 &end
#
#  111 VAL  MGY          37 TRP  HA          4.00    (#     98:20  Unique         2.44, 5.28 A)
 &rst
  ixpk= 98, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1754,1755,1756,1758,1759,1760,
 &end
#
#   37 TRP  HB+          37 TRP  HA          4.00    (#     99:20  Unique         2.31, 2.65 A)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 604, 605,
 &end
#
#    0 AMB  20-2:100     37 TRP  HA          4.00    (#    100:20  Single Ambig)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 604, 605, 715, 716,
 &end
#
#    0 AMB  20-2:101    126 PHE  HA          6.00    (#    101:20  Single Ambig)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1983,2037,
 &end
#
#  112 PRO  HB+          37 TRP  HA          4.00    (#    103:20  Unique         2.12, 3.12 A)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1771,1772,
 &end
#
#  115 TYR  HA          126 PHE  HA          4.00    (#    104:20  Unique         1.95, 2.18 A)
 &rst
  ixpk= 104, nxpk= 20, iat=1811,2000, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  126 PHE  HB-         126 PHE  HA          3.00    (#    105:20  Unique         2.31, 2.60 A)
 &rst
  ixpk= 105, nxpk= 20, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2002,2003,
 &end
#
#  126 PHE  HB+         126 PHE  HA          3.00    (#    106:20  Unique         2.31, 2.60 A)
 &rst
  ixpk= 106, nxpk= 20, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2002,2003,
 &end
#
#    0 AMB  20-2:107    126 PHE  HA          6.00    (#    107:20  Single Ambig)
 &rst
  ixpk= 107, nxpk= 20, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1836,1837,1838,1840,1841,1842,1947,1948,1949,1951,
      1952,1953,
 &end
#
#   33 LEU  HB+          33 LEU  HA          4.00    (#    108:20  Unique         2.25, 2.68 A)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 529, 530,
 &end
#
#   33 LEU  HB-          33 LEU  HA          4.00    (#    110:20  Unique         2.25, 2.68 A)
 &rst
  ixpk= 110, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 529, 530,
 &end
#
#  116 VAL  HA           33 LEU  HA          4.00    (#    111:20  Unique         2.14, 2.52 A)
 &rst
  ixpk= 111, nxpk= 20, iat=1832, 527, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 LEU  MDY          33 LEU  HA          3.00    (#    112:20  Unique         2.02, 3.87 A)
 &rst
  ixpk= 112, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  MDX          33 LEU  HA          4.00    (#    113:20  Unique         2.02, 3.87 A)
 &rst
  ixpk= 113, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#    0 AMB  20-2:114     33 LEU  HA          4.00    (#    114:20  Single Ambig)
 &rst
  ixpk= 114, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
      1841,1842,
 &end
#
#   64 VAL  MGX          63 ASN  HA          4.00    (#    115:20  Unique         3.42, 5.62 A)
 &rst
  ixpk= 115, nxpk= 20, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1045,1046,1047,1049,1050,1051,
 &end
#
#   32 THR  HA           63 ASN  HA          5.00    (#    116:20  Unique         4.29, 4.48 A)
 &rst
  ixpk= 116, nxpk= 20, iat= 513,1027, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ASN  HB-          63 ASN  HA          4.00    (#    117:20  Unique         2.42, 2.78 A)
 &rst
  ixpk= 117, nxpk= 20, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1029,1030,
 &end
#
#   63 ASN  HB+          63 ASN  HA          3.00    (#    118:20  Unique         2.42, 2.78 A)
 &rst
  ixpk= 118, nxpk= 20, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1029,1030,
 &end
#
#    0 AMB  20-2:119     63 ASN  HA          5.00    (#    119:20  Single Ambig)
 &rst
  ixpk= 119, nxpk= 20, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1015,1016,1017,1019,1020,1021, 424, 425, 426, 428,
       429, 430,
 &end
#
#  114 TYR  HA           35 HIS  HA          4.00    (#    120:20  Unique         1.82, 1.96 A)
 &rst
  ixpk= 120, nxpk= 20, iat=1790, 565, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 HIS  HB-          35 HIS  HA          4.00    (#    121:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 121, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 567, 568,
 &end
#
#   35 HIS  HB+          35 HIS  HA          4.00    (#    122:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 122, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 567, 568,
 &end
#
#   32 THR  HN           32 THR  HB          4.00    (#    166:20  Unique         2.25, 2.45 A)
 &rst
  ixpk= 166, nxpk= 20, iat= 511, 515, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 THR  HG1          32 THR  HB          4.00    (#    167:20  Unique         2.22, 2.27 A)
 &rst
  ixpk= 167, nxpk= 20, iat= 521, 515, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   23 ARG  HN           22 THR  HB          4.00    (#    177:20  Unique         1.94, 2.61 A)
 &rst
  ixpk= 177, nxpk= 20, iat= 359, 349, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 GLU  HN           22 THR  HB          5.00    (#    178:20  Unique         2.11, 2.40 A)
 &rst
  ixpk= 178, nxpk= 20, iat= 383, 349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   95 PHE  HE           22 THR  HB          6.00    (#    182:20  Unique         5.51, 8.57 A)
 &rst
  ixpk= 182, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1520,1524,
 &end
#
#   12 GLY  HN           11 THR  HB          4.00    (#    185:20  Unique         3.73, 4.11 A)
 &rst
  ixpk= 185, nxpk= 20, iat= 196, 186, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 THR  HA           11 THR  HB          3.00    (#    186:20  Unique         2.38, 2.43 A)
 &rst
  ixpk= 186, nxpk= 20, iat= 184, 186, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:188    147 THR  HB          4.00    (#    188:20  Single Ambig)
 &rst
  ixpk= 188, nxpk= 20, iat=  -1,2331, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2327,2341,
 &end
#
#   84 THR  HN           84 THR  HB          5.00    (#    191:20  Unique         2.02, 2.09 A)
 &rst
  ixpk= 191, nxpk= 20, iat=1349,1353, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  141 ASN  HN          140 VAL  HA          4.00    (#    192:20  Unique         3.62, 3.64 A)
 &rst
  ixpk= 192, nxpk= 20, iat=2229,2215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 THR  HN           84 THR  HA          5.00    (#    193:20  Unique         2.73, 2.79 A)
 &rst
  ixpk= 193, nxpk= 20, iat=1349,1351, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  140 VAL  HN          140 VAL  HA          4.00    (#    194:20  Unique         2.74, 2.81 A)
 &rst
  ixpk= 194, nxpk= 20, iat=2213,2215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 VAL  HN           51 VAL  HA          4.00    (#    195:20  Unique         2.64, 2.72 A)
 &rst
  ixpk= 195, nxpk= 20, iat= 816, 818, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  143 VAL  HN          143 VAL  HA          3.00    (#    197:20  Unique         2.70, 2.74 A)
 &rst
  ixpk= 197, nxpk= 20, iat=2267,2269, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   81 ILE  HN           78 PRO  HA          4.00    (#    198:20  Unique         3.03, 3.33 A)
 &rst
  ixpk= 198, nxpk= 20, iat=1293,1260, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 HIS  HN           96 VAL  HA          4.00    (#    199:20  Unique         2.28, 2.73 A)
 &rst
  ixpk= 199, nxpk= 20, iat=1097,1532, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   71 ARG  HN           70 PRO  HA          4.00    (#    201:20  Unique         2.28, 2.53 A)
 &rst
  ixpk= 201, nxpk= 20, iat=1145,1141, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 THR  HN           31 PRO  HA          3.00    (#    202:20  Unique         2.27, 2.34 A)
 &rst
  ixpk= 202, nxpk= 20, iat= 511, 507, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  148 GLU  HN          147 THR  HA          3.00    (#    203:20  Unique         2.33, 2.37 A)
 &rst
  ixpk= 203, nxpk= 20, iat=2341,2329, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   18 ASN  HD2+         91 THR  HA          4.00    (#    204:20  Unique         1.90, 3.04 A)
 &rst
  ixpk= 204, nxpk= 20, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 302, 303,
 &end
#
#   91 THR  HN           91 THR  HA          5.00    (#    205:20  Unique         2.89, 2.93 A)
 &rst
  ixpk= 205, nxpk= 20, iat=1446,1448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ASN  HD2-         91 THR  HA          4.00    (#    206:20  Unique         1.90, 3.04 A)
 &rst
  ixpk= 206, nxpk= 20, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 302, 303,
 &end
#
#  120 THR  HN          120 THR  HA          4.00    (#    207:20  Unique         2.90, 2.93 A)
 &rst
  ixpk= 207, nxpk= 20, iat=1900,1902, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:208     65 VAL  HA          3.00    (#    208:20  Single Ambig)
 &rst
  ixpk= 208, nxpk= 20, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1071,1055,
 &end
#
#   92 GLN  HN           90 ILE  HA          5.00    (#    211:20  Unique         3.51, 4.27 A)
 &rst
  ixpk= 211, nxpk= 20, iat=1460,1429, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 THR  HN           90 ILE  HA          3.00    (#    212:20  Unique         2.20, 2.33 A)
 &rst
  ixpk= 212, nxpk= 20, iat=1446,1429, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   95 PHE  HN           67 VAL  HA          6.00    (#    213:20  Unique         1.95, 2.36 A)
 &rst
  ixpk= 213, nxpk= 20, iat=1510,1083, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:214     27 ILE  HA          3.00    (#    214:20  Single Ambig)
 &rst
  ixpk= 214, nxpk= 20, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 453, 460,
 &end
#
#    0 AMB  20-2:215     27 ILE  HA          5.00    (#    215:20  Single Ambig)
 &rst
  ixpk= 215, nxpk= 20, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1034,1035, 434,
 &end
#
#   68 HIS  HN           67 VAL  HA          3.00    (#    216:20  Unique         2.18, 2.24 A)
 &rst
  ixpk= 216, nxpk= 20, iat=1097,1083, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   82 LYS  HN           82 LYS  HA          4.00    (#    217:20  Unique         2.65, 2.71 A)
 &rst
  ixpk= 217, nxpk= 20, iat=1312,1314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   23 ARG  HN           23 ARG  HA          4.00    (#    218:20  Unique         2.66, 2.74 A)
 &rst
  ixpk= 218, nxpk= 20, iat= 359, 361, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 LEU  HN           23 ARG  HA          5.00    (#    221:20  Unique         2.95, 3.41 A)
 &rst
  ixpk= 221, nxpk= 20, iat= 415, 361, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  137 GLU  HN          137 GLU  HA          4.00    (#    222:20  Unique         2.66, 2.69 A)
 &rst
  ixpk= 222, nxpk= 20, iat=2152,2154, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  138 LYS  HN          137 GLU  HA          6.00    (#    223:20  Unique         3.47, 3.52 A)
 &rst
  ixpk= 223, nxpk= 20, iat=2167,2154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   54 PHE  HN           54 PHE  HA          3.00    (#    224:20  Unique         2.62, 2.73 A)
 &rst
  ixpk= 224, nxpk= 20, iat= 861, 863, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 GLN  HN           24 GLU  HA          6.00    (#    226:20  Unique         3.31, 3.35 A)
 &rst
  ixpk= 226, nxpk= 20, iat= 398, 385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 GLU  HN           24 GLU  HA          3.00    (#    227:20  Unique         2.75, 2.84 A)
 &rst
  ixpk= 227, nxpk= 20, iat= 383, 385, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   27 ILE  HN           24 GLU  HA          5.00    (#    228:20  Unique         3.54, 3.86 A)
 &rst
  ixpk= 228, nxpk= 20, iat= 434, 385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PHE  HE          137 GLU  HA          5.00    (#    229:20  Unique         1.90, 4.17 A)
 &rst
  ixpk= 229, nxpk= 20, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 871, 875,
 &end
#
#   22 THR  HN           21 VAL  HA          3.00    (#    230:20  Unique         2.36, 2.60 A)
 &rst
  ixpk= 230, nxpk= 20, iat= 345, 331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   55 ARG  HN           54 PHE  HA          4.00    (#    231:20  Unique         3.36, 3.48 A)
 &rst
  ixpk= 231, nxpk= 20, iat= 881, 863, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 THR  HN           83 GLU  HA          5.00    (#    232:20  Unique         3.58, 3.62 A)
 &rst
  ixpk= 232, nxpk= 20, iat=1349,1336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 GLU  HN           83 GLU  HA          3.00    (#    233:20  Unique         2.77, 2.86 A)
 &rst
  ixpk= 233, nxpk= 20, iat=1334,1336, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 ALA  HN           83 GLU  HA          4.00    (#    234:20  Unique         2.93, 3.33 A)
 &rst
  ixpk= 234, nxpk= 20, iat=1373,1336, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 ASP  HN           53 GLU  HA          4.00    (#    235:20  Unique         2.97, 3.46 A)
 &rst
  ixpk= 235, nxpk= 20, iat= 905, 848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  141 ASN  HN          138 LYS  HA          4.00    (#    236:20  Unique         3.36, 3.57 A)
 &rst
  ixpk= 236, nxpk= 20, iat=2229,2169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  138 LYS  HN          138 LYS  HA          3.00    (#    237:20  Unique         2.85, 2.90 A)
 &rst
  ixpk= 237, nxpk= 20, iat=2167,2169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   21 VAL  HN           21 VAL  HA          4.00    (#    238:20  Unique         2.80, 2.90 A)
 &rst
  ixpk= 238, nxpk= 20, iat= 329, 331, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   60 ASP  HN           59 GLN  HA          4.00    (#    239:20  Unique         2.45, 2.78 A)
 &rst
  ixpk= 239, nxpk= 20, iat= 977, 962, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLN  HN           59 GLN  HA          3.00    (#    240:20  Unique         2.70, 2.80 A)
 &rst
  ixpk= 240, nxpk= 20, iat= 960, 962, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  144 LEU  HN          142 ARG  HA          4.00    (#    242:20  Unique         3.77, 4.08 A)
 &rst
  ixpk= 242, nxpk= 20, iat=2283,2245, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:243      0 AMB  20-1:243    3.00    (#    243:20  Double Ambig)
 &rst
  ixpk= 243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2302, 846, 861,
 igr2=2245, 848,
 &end
#
#   46 GLU  HN           46 GLU  HA          3.00    (#    244:20  Unique         2.83, 2.86 A)
 &rst
  ixpk= 244, nxpk= 20, iat= 743, 745, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:245      0 AMB  20-1:245    4.00    (#    245:20  Double Ambig)
 &rst
  ixpk= 245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 758,  98,  99,
 igr2= 745,1665,
 &end
#
#  142 ARG  HN          142 ARG  HA          3.00    (#    247:20  Unique         2.72, 2.81 A)
 &rst
  ixpk= 247, nxpk= 20, iat=2243,2245, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:248      0 AMB  20-1:248    3.00    (#    248:20  Double Ambig)
 &rst
  ixpk= 248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 799,1398, 811, 812,
 igr2= 801,1385,
 &end
#
#   57 LYS  HN           57 LYS  HA          3.00    (#    249:20  Unique         2.76, 2.86 A)
 &rst
  ixpk= 249, nxpk= 20, iat= 917, 919, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   58 TYR  HN           57 LYS  HA          4.00    (#    250:20  Unique         3.45, 3.59 A)
 &rst
  ixpk= 250, nxpk= 20, iat= 939, 919, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLN  HN           57 LYS  HA          6.00    (#    251:20  Unique         3.76, 4.19 A)
 &rst
  ixpk= 251, nxpk= 20, iat= 960, 919, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   87 GLU  HN           87 GLU  HA          3.00    (#    253:20  Unique         2.83, 2.89 A)
 &rst
  ixpk= 253, nxpk= 20, iat=1383,1385, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 THR  HN           80 LYS  HA          6.00    (#    254:20  Unique         3.16, 3.54 A)
 &rst
  ixpk= 254, nxpk= 20, iat=1349,1273, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   83 GLU  HN           80 LYS  HA          4.00    (#    255:20  Unique         3.06, 3.42 A)
 &rst
  ixpk= 255, nxpk= 20, iat=1334,1273, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 ILE  HN           80 LYS  HA          4.00    (#    256:20  Unique         3.55, 3.59 A)
 &rst
  ixpk= 256, nxpk= 20, iat=1293,1273, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 LYS  HN           80 LYS  HA          3.00    (#    257:20  Unique         2.92, 2.92 A)
 &rst
  ixpk= 257, nxpk= 20, iat=1271,1273, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  119 LYS  HN          119 LYS  HA          4.00    (#    258:20  Unique         2.75, 2.80 A)
 &rst
  ixpk= 258, nxpk= 20, iat=1878,1880, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   55 ARG  HN           55 ARG  HA          4.00    (#    259:20  Unique         2.74, 2.82 A)
 &rst
  ixpk= 259, nxpk= 20, iat= 881, 883, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  136 LEU  HN          136 LEU  HA          4.00    (#    260:20  Unique         2.80, 2.88 A)
 &rst
  ixpk= 260, nxpk= 20, iat=2133,2135, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  148 GLU  HN          148 GLU  HA          3.00    (#    261:20  Unique         2.17, 2.34 A)
 &rst
  ixpk= 261, nxpk= 20, iat=2341,2343, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    4 ARG  HN            4 ARG  HA          3.00    (#    262:20  Unique         2.19, 2.26 A)
 &rst
  ixpk= 262, nxpk= 20, iat=  62,  64, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    5 GLN  HN            4 ARG  HA          4.00    (#    263:20  Unique         3.10, 3.24 A)
 &rst
  ixpk= 263, nxpk= 20, iat=  86,  64, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  139 ARG  HN          136 LEU  HA          5.00    (#    264:20  Unique         2.55, 2.76 A)
 &rst
  ixpk= 264, nxpk= 20, iat=2189,2135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  111 VAL  HN          111 VAL  HA          4.00    (#    265:20  Unique         2.21, 2.72 A)
 &rst
  ixpk= 265, nxpk= 20, iat=1748,1750, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  100 HIS  HN          100 HIS  HA          3.00    (#    266:20  Unique         2.20, 2.31 A)
 &rst
  ixpk= 266, nxpk= 20, iat=1581,1583, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  138 LYS  HN          135 MET  HA          3.00    (#    267:20  Unique         3.58, 3.93 A)
 &rst
  ixpk= 267, nxpk= 20, iat=2167,2118, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   30 LYS  HN           29 GLU  HA          5.00    (#    268:20  Unique         3.27, 3.57 A)
 &rst
  ixpk= 268, nxpk= 20, iat= 475, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:269     29 GLU  HA          4.00    (#    269:20  Single Ambig)
 &rst
  ixpk= 269, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 460, 453,
 &end
#
#   72 SER  HN           72 SER  HA          4.00    (#    270:20  Unique         2.87, 2.89 A)
 &rst
  ixpk= 270, nxpk= 20, iat=1169,1171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  147 THR  HN          146 GLU  HA          4.00    (#    271:20  Unique         3.53, 3.61 A)
 &rst
  ixpk= 271, nxpk= 20, iat=2327,2314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  145 ALA  HN          144 LEU  HA          4.00    (#    272:20  Unique         3.49, 3.59 A)
 &rst
  ixpk= 272, nxpk= 20, iat=2302,2285, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:273      0 AMB  20-1:273    3.00    (#    273:20  Double Ambig)
 &rst
  ixpk= 273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 692,2283, 743,
 igr2= 694,2285,
 &end
#
#   10 LEU  HN            9 GLU  HA          3.00    (#    274:20  Unique         2.22, 2.40 A)
 &rst
  ixpk= 274, nxpk= 20, iat= 163, 150, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:275      0 AMB  20-1:275    3.00    (#    275:20  Double Ambig)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2189, 148,
 igr2=2191, 150,
 &end
#
#  142 ARG  HN          139 ARG  HA          4.00    (#    276:20  Unique         3.15, 3.41 A)
 &rst
  ixpk= 276, nxpk= 20, iat=2243,2191, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   40 SER  HN           40 SER  HA          4.00    (#    277:20  Unique         2.83, 2.89 A)
 &rst
  ixpk= 277, nxpk= 20, iat= 654, 656, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  104 ASP  HN          104 ASP  HA          3.00    (#    278:20  Unique         2.72, 2.78 A)
 &rst
  ixpk= 278, nxpk= 20, iat=1641,1643, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:279    104 ASP  HA          3.00    (#    279:20  Single Ambig)
 &rst
  ixpk= 279, nxpk= 20, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1653,1683,
 &end
#
#   48 MET  HN           48 MET  HA          4.00    (#    280:20  Unique         2.72, 2.81 A)
 &rst
  ixpk= 280, nxpk= 20, iat= 768, 770, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:281    102 LEU  HA          4.00    (#    281:20  Single Ambig)
 &rst
  ixpk= 281, nxpk= 20, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1617,1618,1619,1621,1622,1623,1608,
 &end
#
#  146 GLU  HN          146 GLU  HA          3.00    (#    282:20  Unique         2.86, 2.91 A)
 &rst
  ixpk= 282, nxpk= 20, iat=2312,2314, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   26 LEU  HN           25 GLN  HA          4.00    (#    283:20  Unique         2.96, 3.17 A)
 &rst
  ixpk= 283, nxpk= 20, iat= 415, 400, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 GLN  HN           25 GLN  HA          3.00    (#    284:20  Unique         2.86, 2.91 A)
 &rst
  ixpk= 284, nxpk= 20, iat= 398, 400, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    4 ARG  HN            3 LEU  HA          3.00    (#    285:20  Unique         2.18, 2.30 A)
 &rst
  ixpk= 285, nxpk= 20, iat=  62,  45, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    3 LEU  HN            3 LEU  HA          5.00    (#    286:20  Unique         2.48, 2.66 A)
 &rst
  ixpk= 286, nxpk= 20, iat=  43,  45, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 LYS  HN           56 ASP  HA          4.00    (#    287:20  Unique         3.37, 3.42 A)
 &rst
  ixpk= 287, nxpk= 20, iat= 917, 907, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  110 TYR  HN          109 GLU  HA          4.00    (#    289:20  Unique         2.64, 3.14 A)
 &rst
  ixpk= 289, nxpk= 20, iat=1727,1714, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:290    107 GLU  HA          3.00    (#    290:20  Single Ambig)
 &rst
  ixpk= 290, nxpk= 20, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1683,1698,
 &end
#
#  117 PHE  HA          123 LEU  HA          5.00    (#    291:20  Unique         2.07, 2.42 A)
 &rst
  ixpk= 291, nxpk= 20, iat=1848,1940, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 ASP  HN           56 ASP  HA          3.00    (#    292:20  Unique         2.71, 2.80 A)
 &rst
  ixpk= 292, nxpk= 20, iat= 905, 907, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  145 ALA  HN          141 ASN  HA          4.00    (#    293:20  Unique         3.61, 4.05 A)
 &rst
  ixpk= 293, nxpk= 20, iat=2302,2231, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  141 ASN  HN          141 ASN  HA          3.00    (#    294:20  Unique         2.62, 2.71 A)
 &rst
  ixpk= 294, nxpk= 20, iat=2229,2231, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  144 LEU  HN          141 ASN  HA          3.00    (#    295:20  Unique         3.31, 3.58 A)
 &rst
  ixpk= 295, nxpk= 20, iat=2283,2231, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   39 ILE  HN           38 SER  HA          3.00    (#    296:20  Unique         2.22, 2.34 A)
 &rst
  ixpk= 296, nxpk= 20, iat= 635, 626, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   69 MET  HN           68 HIS  HA          3.00    (#    297:20  Unique         2.19, 2.20 A)
 &rst
  ixpk= 297, nxpk= 20, iat=1114,1099, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  124 ARG  HN          123 LEU  HA          4.00    (#    298:20  Unique         2.18, 2.19 A)
 &rst
  ixpk= 298, nxpk= 20, iat=1957,1940, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLN  HN           56 ASP  HA          4.00    (#    299:20  Unique         3.06, 3.36 A)
 &rst
  ixpk= 299, nxpk= 20, iat= 960, 907, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   61 GLN  HN           61 GLN  HA          3.00    (#    300:20  Unique         2.86, 2.91 A)
 &rst
  ixpk= 300, nxpk= 20, iat= 989, 991, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 LEU  HN           61 GLN  HA          4.00    (#    301:20  Unique         3.38, 3.54 A)
 &rst
  ixpk= 301, nxpk= 20, iat=1006, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 HIS  HN           88 HIS  HA          3.00    (#    302:20  Unique         2.73, 2.82 A)
 &rst
  ixpk= 302, nxpk= 20, iat=1398,1400, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   89 ASP  HN           88 HIS  HA          4.00    (#    303:20  Unique         3.63, 3.64 A)
 &rst
  ixpk= 303, nxpk= 20, iat=1415,1400, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   71 ARG  HN           71 ARG  HA          4.00    (#    305:20  Unique         2.68, 2.79 A)
 &rst
  ixpk= 305, nxpk= 20, iat=1145,1147, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 VAL  HN           95 PHE  HA          4.00    (#    307:20  Unique         2.19, 2.25 A)
 &rst
  ixpk= 307, nxpk= 20, iat=1530,1512, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   61 GLN  HN           60 ASP  HA          4.00    (#    308:20  Unique         3.00, 3.42 A)
 &rst
  ixpk= 308, nxpk= 20, iat= 989, 979, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:309     74 ASP  HA          4.00    (#    309:20  Single Ambig)
 &rst
  ixpk= 309, nxpk= 20, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1238,1207,
 &end
#
#   60 ASP  HN           60 ASP  HA          4.00    (#    311:20  Unique         2.61, 2.74 A)
 &rst
  ixpk= 311, nxpk= 20, iat= 977, 979, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    2 LYS  HN            1 MET  HA          3.00    (#    313:20  Unique         2.20, 2.30 A)
 &rst
  ixpk= 313, nxpk= 20, iat=  21,   6, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   85 ALA  HN           85 ALA  HA          4.00    (#    314:20  Unique         2.72, 2.81 A)
 &rst
  ixpk= 314, nxpk= 20, iat=1363,1365, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 ALA  HN           14 LYS  HA          4.00    (#    315:20  Unique         3.49, 3.61 A)
 &rst
  ixpk= 315, nxpk= 20, iat= 240, 220, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 ASP  HN           89 ASP  HA          3.00    (#    316:20  Unique         2.59, 2.64 A)
 &rst
  ixpk= 316, nxpk= 20, iat=1415,1417, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:317     26 LEU  HA          4.00    (#    317:20  Single Ambig)
 &rst
  ixpk= 317, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 434,1034,1035,
 &end
#
#   63 ASN  HD2+         26 LEU  HA          4.00    (#    318:20  Unique         3.54, 4.26 A)
 &rst
  ixpk= 318, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1034,1035,
 &end
#
#  123 LEU  HN          122 GLN  HA          3.00    (#    319:20  Unique         2.20, 2.25 A)
 &rst
  ixpk= 319, nxpk= 20, iat=1938,1923, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:320    122 GLN  HA          4.00    (#    320:20  Single Ambig)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 117,1866,1914,
 &end
#
#  122 GLN  HN          122 GLN  HA          5.00    (#    321:20  Unique         2.90, 2.91 A)
 &rst
  ixpk= 321, nxpk= 20, iat=1921,1923, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 LYS  HN           14 LYS  HA          5.00    (#    322:20  Unique         2.65, 2.87 A)
 &rst
  ixpk= 322, nxpk= 20, iat= 218, 220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:323      0 AMB  20-1:323    3.00    (#    323:20  Double Ambig)
 &rst
  ixpk= 323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1653,1727,1383,
 igr2=1655,1700,1375,
 &end
#
#   88 HIS  HN            0 AMB  20-1:324    4.00    (#    324:20  Single Ambig)
 &rst
  ixpk= 324, nxpk= 20, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1375,1417,
 &end
#
#    0 AMB  20-2:326      0 AMB  20-1:326    4.00    (#    326:20  Double Ambig)
 &rst
  ixpk= 326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1238, 398,1207,
 igr2=1221, 417,
 &end
#
#   18 ASN  HN           18 ASN  HA          3.00    (#    327:20  Unique         2.17, 2.20 A)
 &rst
  ixpk= 327, nxpk= 20, iat= 293, 295, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   19 GLY  HN           18 ASN  HA          3.00    (#    328:20  Unique         3.16, 3.53 A)
 &rst
  ixpk= 328, nxpk= 20, iat= 307, 295, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 GLU  HN          108 ASN  HA          5.00    (#    329:20  Unique         2.25, 2.54 A)
 &rst
  ixpk= 329, nxpk= 20, iat=1712,1700, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 VAL  HN           20 GLU  HA          3.00    (#    331:20  Unique         2.20, 2.41 A)
 &rst
  ixpk= 331, nxpk= 20, iat= 329, 316, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    5 GLN  HN            5 GLN  HA          3.00    (#    333:20  Unique         2.87, 2.90 A)
 &rst
  ixpk= 333, nxpk= 20, iat=  86,  88, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    7 MET  HN            7 MET  HA          5.00    (#    336:20  Unique         2.29, 2.53 A)
 &rst
  ixpk= 336, nxpk= 20, iat= 117, 119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HD            7 MET  HA          4.00    (#    337:20  Unique         4.32, 5.94 A)
 &rst
  ixpk= 337, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1854,1862,
 &end
#
#    3 LEU  HN            2 LYS  HA          3.00    (#    338:20  Unique         2.18, 2.36 A)
 &rst
  ixpk= 338, nxpk= 20, iat=  43,  23, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    2 LYS  HN            2 LYS  HA          4.00    (#    339:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 339, nxpk= 20, iat=  21,  23, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  128 ALA  HN          127 GLN  HA          3.00    (#    340:20  Unique         2.23, 2.41 A)
 &rst
  ixpk= 340, nxpk= 20, iat=2035,2020, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  127 GLN  HN          127 GLN  HA          4.00    (#    341:20  Unique         2.82, 2.89 A)
 &rst
  ixpk= 341, nxpk= 20, iat=2018,2020, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   92 GLN  HN           92 GLN  HA          4.00    (#    343:20  Unique         2.63, 2.69 A)
 &rst
  ixpk= 343, nxpk= 20, iat=1460,1462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 THR  HN           10 LEU  HA          3.00    (#    344:20  Unique         2.25, 2.39 A)
 &rst
  ixpk= 344, nxpk= 20, iat= 182, 165, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:345    118 ASP  HA          5.00    (#    345:20  Single Ambig)
 &rst
  ixpk= 345, nxpk= 20, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1866, 511,
 &end
#
#    0 AMB  20-2:346    145 ALA  HA          3.00    (#    346:20  Single Ambig)
 &rst
  ixpk= 346, nxpk= 20, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2302,2312,
 &end
#
#  119 LYS  HN          118 ASP  HA          3.00    (#    347:20  Unique         2.48, 2.53 A)
 &rst
  ixpk= 347, nxpk= 20, iat=1878,1868, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   50 GLN  HE2+         47 ALA  HA          4.00    (#    350:20  Unique         1.94, 3.64 A)
 &rst
  ixpk= 350, nxpk= 20, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 811, 812,
 &end
#
#   47 ALA  HN           47 ALA  HA          3.00    (#    351:20  Unique         2.92, 2.94 A)
 &rst
  ixpk= 351, nxpk= 20, iat= 758, 760, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   16 TRP  HN           15 ALA  HA          4.00    (#    352:20  Unique         2.23, 2.42 A)
 &rst
  ixpk= 352, nxpk= 20, iat= 250, 242, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 ALA  HN           15 ALA  HA          4.00    (#    353:20  Unique         2.75, 2.86 A)
 &rst
  ixpk= 353, nxpk= 20, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 MET  HN           49 PRO  HD+         5.00    (#    354:20  Unique         1.80, 2.09 A)
 &rst
  ixpk= 354, nxpk= 20, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 786, 787,
 &end
#
#   48 MET  HN           49 PRO  HD-         4.00    (#    355:20  Unique         1.80, 2.09 A)
 &rst
  ixpk= 355, nxpk= 20, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 786, 787,
 &end
#
#   30 LYS  HA           31 PRO  HD+         3.00    (#    356:20  Unique         1.97, 2.45 A)
 &rst
  ixpk= 356, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 498, 499,
 &end
#
#   35 HIS  HN           66 ALA  HA          3.00    (#    357:20  Unique         2.13, 2.43 A)
 &rst
  ixpk= 357, nxpk= 20, iat= 563,1073, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   67 VAL  HN           66 ALA  HA          3.00    (#    358:20  Unique         2.37, 2.44 A)
 &rst
  ixpk= 358, nxpk= 20, iat=1081,1073, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 LEU  HN           62 LEU  HB-         5.00    (#    359:20  Unique         2.45, 3.12 A)
 &rst
  ixpk= 359, nxpk= 20, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1010,1011,
 &end
#
#   62 LEU  HN           62 LEU  HB+         5.00    (#    360:20  Unique         2.45, 3.12 A)
 &rst
  ixpk= 360, nxpk= 20, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1010,1011,
 &end
#
#   79 GLY  HN           79 GLY  HA-         3.00    (#    363:20  Unique         2.28, 2.62 A)
 &rst
  ixpk= 363, nxpk= 20, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1266,1267,
 &end
#
#   80 LYS  HN           79 GLY  HA-         4.00    (#    364:20  Unique         2.95, 3.31 A)
 &rst
  ixpk= 364, nxpk= 20, iat=1271,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1266,1267,
 &end
#
#   79 GLY  HN           79 GLY  HA+         3.00    (#    365:20  Unique         2.28, 2.62 A)
 &rst
  ixpk= 365, nxpk= 20, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1266,1267,
 &end
#
#   80 LYS  HN           79 GLY  HA+         4.00    (#    366:20  Unique         2.95, 3.31 A)
 &rst
  ixpk= 366, nxpk= 20, iat=1271,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1266,1267,
 &end
#
#    0 AMB  20-2:368     28 GLY  HA-         3.00    (#    368:20  Single Ambig)
 &rst
  ixpk= 368, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 460, 453,
 igr2= 455, 456,
 &end
#
#  121 GLY  HN          121 GLY  HA-         3.00    (#    369:20  Unique         2.25, 2.56 A)
 &rst
  ixpk= 369, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1916,1917,
 &end
#
#    0 AMB  20-2:370      0 AMB  20-1:370    3.00    (#    370:20  Double Ambig)
 &rst
  ixpk= 370, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 460, 453,
 igr2= 455, 456, 455, 456,
 &end
#
#  121 GLY  HN          121 GLY  HA+         3.00    (#    371:20  Unique         2.25, 2.56 A)
 &rst
  ixpk= 371, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1916,1917,
 &end
#
#   12 GLY  HN           12 GLY  HA-         4.00    (#    372:20  Unique         2.26, 2.72 A)
 &rst
  ixpk= 372, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 198, 199,
 &end
#
#   12 GLY  HN           12 GLY  HA+         4.00    (#    373:20  Unique         2.26, 2.72 A)
 &rst
  ixpk= 373, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 198, 199,
 &end
#
#  129 GLY  HN          129 GLY  HA+         4.00    (#    376:20  Unique         2.25, 2.65 A)
 &rst
  ixpk= 376, nxpk= 20, iat=2045,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2047,2048,
 &end
#
#  129 GLY  HN          129 GLY  HA-         4.00    (#    377:20  Unique         2.25, 2.65 A)
 &rst
  ixpk= 377, nxpk= 20, iat=2045,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2047,2048,
 &end
#
#   19 GLY  HN           19 GLY  HA-         3.00    (#    378:20  Unique         2.37, 2.76 A)
 &rst
  ixpk= 378, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 309, 310,
 &end
#
#   20 GLU  HN           19 GLY  HA-         3.00    (#    379:20  Unique         2.20, 2.75 A)
 &rst
  ixpk= 379, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 309, 310,
 &end
#
#   19 GLY  HN           19 GLY  HA+         3.00    (#    380:20  Unique         2.37, 2.76 A)
 &rst
  ixpk= 380, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 309, 310,
 &end
#
#   20 GLU  HN           19 GLY  HA+         3.00    (#    381:20  Unique         2.20, 2.75 A)
 &rst
  ixpk= 381, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 309, 310,
 &end
#
#  142 ARG  HN          142 ARG  HD+         4.00    (#    384:20  Unique         4.49, 5.04 A)
 &rst
  ixpk= 384, nxpk= 20, iat=2243,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2253,2254,
 &end
#
#  127 GLN  HN          126 PHE  HB-         6.00    (#    385:20  Unique         2.72, 3.87 A)
 &rst
  ixpk= 385, nxpk= 20, iat=2018,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2002,2003,
 &end
#
#  126 PHE  HN          126 PHE  HB-         4.00    (#    386:20  Unique         2.43, 3.27 A)
 &rst
  ixpk= 386, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2002,2003,
 &end
#
#  126 PHE  HA          126 PHE  HB-         4.00    (#    388:20  Unique         2.31, 2.60 A)
 &rst
  ixpk= 388, nxpk= 20, iat=2000,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2002,2003,
 &end
#
#  126 PHE  HN          126 PHE  HB+         4.00    (#    390:20  Unique         2.43, 3.27 A)
 &rst
  ixpk= 390, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2002,2003,
 &end
#
#  115 TYR  HE          126 PHE  HB+         4.00    (#    391:20  Unique         3.71, 6.01 A)
 &rst
  ixpk= 391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1819,1824,
 igr2=2002,2003,
 &end
#
#  126 PHE  HA          126 PHE  HB+         4.00    (#    393:20  Unique         2.31, 2.60 A)
 &rst
  ixpk= 393, nxpk= 20, iat=2000,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2002,2003,
 &end
#
#   76 LEU  HN           76 LEU  HB+         4.00    (#    394:20  Unique         2.04, 2.71 A)
 &rst
  ixpk= 394, nxpk= 20, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1223,1224,
 &end
#
#   76 LEU  HN           76 LEU  HB-         5.00    (#    395:20  Unique         2.04, 2.71 A)
 &rst
  ixpk= 395, nxpk= 20, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1223,1224,
 &end
#
#    4 ARG  HN            4 ARG  HD+         5.00    (#    396:20  Unique         3.40, 5.06 A)
 &rst
  ixpk= 396, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  72,  73,
 &end
#
#    4 ARG  HN            4 ARG  HD-         5.00    (#    397:20  Unique         3.40, 5.06 A)
 &rst
  ixpk= 397, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  72,  73,
 &end
#
#    0 AMB  20-2:398     75 ASP  HB-         5.00    (#    398:20  Single Ambig)
 &rst
  ixpk= 398, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1207, 654,
 igr2=1211,1212,
 &end
#
#   63 ASN  HD2+        117 PHE  HB+         6.00    (#    399:20  Unique         5.52, 7.36 A)
 &rst
  ixpk= 399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1034,1035,
 igr2=1850,1851,
 &end
#
#   77 ASP  HN           77 ASP  HB+         4.00    (#    400:20  Unique         2.15, 2.79 A)
 &rst
  ixpk= 400, nxpk= 20, iat=1238,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1242,1243,
 &end
#
#   77 ASP  HN           77 ASP  HB-         3.00    (#    401:20  Unique         2.15, 2.79 A)
 &rst
  ixpk= 401, nxpk= 20, iat=1238,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1242,1243,
 &end
#
#   97 ASP  HN           14 LYS  HE+         5.00    (#    402:20  Unique         2.50, 5.38 A)
 &rst
  ixpk= 402, nxpk= 20, iat=1546,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 231, 232,
 &end
#
#    0 AMB  20-2:403      0 AMB  20-1:403    6.00    (#    403:20  Double Ambig)
 &rst
  ixpk= 403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1=1034,1035,1817,1826, 434,
 igr2=1850,1851,1850,1851,1850,1851,
 &end
#
#  145 ALA  HN          144 LEU  HB+         4.00    (#    404:20  Unique         2.64, 3.29 A)
 &rst
  ixpk= 404, nxpk= 20, iat=2302,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2287,2288,
 &end
#
#  111 VAL  HN          110 TYR  HB-         4.00    (#    405:20  Unique         1.47, 3.94 A)
 &rst
  ixpk= 405, nxpk= 20, iat=1748,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1731,1732,
 &end
#
#  110 TYR  HN          110 TYR  HB-         4.00    (#    406:20  Unique         2.48, 3.41 A)
 &rst
  ixpk= 406, nxpk= 20, iat=1727,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1731,1732,
 &end
#
#    0 AMB  20-2:407      0 AMB  20-1:407    3.00    (#    407:20  Double Ambig)
 &rst
  ixpk= 407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1854,1862,2008,2012,
 igr2=1850,1851,1731,1732,
 &end
#
#  110 TYR  HN          110 TYR  HB+         4.00    (#    412:20  Unique         2.48, 3.41 A)
 &rst
  ixpk= 412, nxpk= 20, iat=1727,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1731,1732,
 &end
#
#    0 AMB  20-2:413      0 AMB  20-1:413    4.00    (#    413:20  Double Ambig)
 &rst
  ixpk= 413, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 692,2283,
 igr2= 696, 697,2287,2288,
 &end
#
#  144 LEU  HN          144 LEU  HB-         4.00    (#    414:20  Unique         2.22, 2.96 A)
 &rst
  ixpk= 414, nxpk= 20, iat=2283,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2287,2288,
 &end
#
#  145 ALA  HN          144 LEU  HB-         5.00    (#    415:20  Unique         2.64, 3.29 A)
 &rst
  ixpk= 415, nxpk= 20, iat=2302,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2287,2288,
 &end
#
#  119 LYS  HN          118 ASP  HB-         4.00    (#    416:20  Unique         2.28, 3.23 A)
 &rst
  ixpk= 416, nxpk= 20, iat=1878,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1870,1871,
 &end
#
#  117 PHE  HD          115 TYR  HB-         5.00    (#    417:20  Unique         2.69, 5.02 A)
 &rst
  ixpk= 417, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1854,1862,
 igr2=1813,1814,
 &end
#
#    3 LEU  HN            3 LEU  HB+         4.00    (#    419:20  Unique         2.59, 3.17 A)
 &rst
  ixpk= 419, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  47,  48,
 &end
#
#    3 LEU  HN            3 LEU  HB-         4.00    (#    420:20  Unique         2.59, 3.17 A)
 &rst
  ixpk= 420, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  47,  48,
 &end
#
#    4 ARG  HN            3 LEU  HB-         4.00    (#    422:20  Unique         2.64, 3.47 A)
 &rst
  ixpk= 422, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  47,  48,
 &end
#
#  123 LEU  HN          123 LEU  HB-         4.00    (#    423:20  Unique         2.31, 2.46 A)
 &rst
  ixpk= 423, nxpk= 20, iat=1938,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1942,1943,
 &end
#
#   60 ASP  HN           60 ASP  HB+         3.00    (#    424:20  Unique         2.38, 3.24 A)
 &rst
  ixpk= 424, nxpk= 20, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 981, 982,
 &end
#
#   61 GLN  HN           60 ASP  HB+         5.00    (#    425:20  Unique         3.00, 3.59 A)
 &rst
  ixpk= 425, nxpk= 20, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 981, 982,
 &end
#
#   60 ASP  HN           60 ASP  HB-         4.00    (#    426:20  Unique         2.38, 3.24 A)
 &rst
  ixpk= 426, nxpk= 20, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 981, 982,
 &end
#
#   61 GLN  HN           60 ASP  HB-         5.00    (#    427:20  Unique         3.00, 3.59 A)
 &rst
  ixpk= 427, nxpk= 20, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 981, 982,
 &end
#
#   74 ASP  HN           74 ASP  HB-         5.00    (#    428:20  Unique         2.06, 2.95 A)
 &rst
  ixpk= 428, nxpk= 20, iat=1195,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1199,1200,
 &end
#
#    0 AMB  20-2:429      0 AMB  20-1:429    4.00    (#    429:20  Double Ambig)
 &rst
  ixpk= 429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1698,1727,
 igr2=1702,1703,1702,1703,
 &end
#
#  108 ASN  HD2-        108 ASN  HB+         6.00    (#    430:20  Unique         2.15, 3.55 A)
 &rst
  ixpk= 430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1707,1708,
 igr2=1702,1703,
 &end
#
#    0 AMB  20-2:431    108 ASN  HB-         4.00    (#    431:20  Single Ambig)
 &rst
  ixpk= 431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1698,1727,
 igr2=1702,1703,
 &end
#
#  136 LEU  HN          136 LEU  HB+         5.00    (#    432:20  Unique         2.05, 2.57 A)
 &rst
  ixpk= 432, nxpk= 20, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2137,2138,
 &end
#
#   63 ASN  HD2-         63 ASN  HB-         5.00    (#    433:20  Unique         2.10, 3.26 A)
 &rst
  ixpk= 433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1034,1035,
 igr2=1029,1030,
 &end
#
#   63 ASN  HA           63 ASN  HB-         5.00    (#    434:20  Unique         2.42, 2.78 A)
 &rst
  ixpk= 434, nxpk= 20, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1029,1030,
 &end
#
#   63 ASN  HD2-         63 ASN  HB+         4.00    (#    435:20  Unique         2.10, 3.26 A)
 &rst
  ixpk= 435, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1034,1035,
 igr2=1029,1030,
 &end
#
#   63 ASN  HN           63 ASN  HB+         5.00    (#    436:20  Unique         2.34, 3.06 A)
 &rst
  ixpk= 436, nxpk= 20, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1029,1030,
 &end
#
#   63 ASN  HA           63 ASN  HB+         4.00    (#    437:20  Unique         2.42, 2.78 A)
 &rst
  ixpk= 437, nxpk= 20, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1029,1030,
 &end
#
#  106 PHE  HN          106 PHE  HB-         4.00    (#    438:20  Unique         2.04, 2.92 A)
 &rst
  ixpk= 438, nxpk= 20, iat=1663,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1667,1668,
 &end
#
#   57 LYS  HN           56 ASP  HB+         5.00    (#    439:20  Unique         3.24, 3.73 A)
 &rst
  ixpk= 439, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 909, 910,
 &end
#
#   56 ASP  HN           56 ASP  HB+         4.00    (#    440:20  Unique         2.00, 2.58 A)
 &rst
  ixpk= 440, nxpk= 20, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 909, 910,
 &end
#
#   56 ASP  HN           56 ASP  HB-         3.00    (#    441:20  Unique         2.00, 2.58 A)
 &rst
  ixpk= 441, nxpk= 20, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 909, 910,
 &end
#
#  106 PHE  HN          104 ASP  HB+         5.00    (#    442:20  Unique         5.31, 5.90 A)
 &rst
  ixpk= 442, nxpk= 20, iat=1663,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1645,1646,
 &end
#
#   34 ILE  HN           34 ILE  HB          5.00    (#    443:20  Unique         2.49, 2.80 A)
 &rst
  ixpk= 443, nxpk= 20, iat= 544, 548, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 GLY  HN           27 ILE  HB          4.00    (#    444:20  Unique         1.97, 3.48 A)
 &rst
  ixpk= 444, nxpk= 20, iat= 453, 438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 ILE  HN           27 ILE  HB          3.00    (#    445:20  Unique         2.37, 2.55 A)
 &rst
  ixpk= 445, nxpk= 20, iat= 434, 438, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:446      0 AMB  20-1:446    3.00    (#    446:20  Double Ambig)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1683,1727,1653,
 igr2=1667,1668,1645,1646,
 &end
#
#  104 ASP  HN          104 ASP  HB+         4.00    (#    447:20  Unique         2.23, 2.60 A)
 &rst
  ixpk= 447, nxpk= 20, iat=1641,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1645,1646,
 &end
#
#   89 ASP  HN           89 ASP  HB+         4.00    (#    448:20  Unique         3.00, 3.57 A)
 &rst
  ixpk= 448, nxpk= 20, iat=1415,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1419,1420,
 &end
#
#   52 ASN  HD2+         89 ASP  HB+         4.00    (#    449:20  Unique         2.74, 4.93 A)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 841, 842,
 igr2=1419,1420,
 &end
#
#   52 ASN  HD2-         89 ASP  HB+         6.00    (#    450:20  Unique         2.74, 4.93 A)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 841, 842,
 igr2=1419,1420,
 &end
#
#  117 PHE  HE           34 ILE  HB          4.00    (#    451:20  Unique         2.05, 4.32 A)
 &rst
  ixpk= 451, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1856,1860,
 &end
#
#   89 ASP  HN           89 ASP  HB-         4.00    (#    452:20  Unique         3.00, 3.57 A)
 &rst
  ixpk= 452, nxpk= 20, iat=1415,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1419,1420,
 &end
#
#   52 ASN  HD2+         89 ASP  HB-         4.00    (#    453:20  Unique         2.74, 4.93 A)
 &rst
  ixpk= 453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 841, 842,
 igr2=1419,1420,
 &end
#
#   52 ASN  HD2-         89 ASP  HB-         6.00    (#    454:20  Unique         2.74, 4.93 A)
 &rst
  ixpk= 454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 841, 842,
 igr2=1419,1420,
 &end
#
#  104 ASP  HN          104 ASP  HB-         3.00    (#    455:20  Unique         2.23, 2.60 A)
 &rst
  ixpk= 455, nxpk= 20, iat=1641,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1645,1646,
 &end
#
#  141 ASN  HD2+        141 ASN  HB+         6.00    (#    457:20  Unique         2.12, 3.28 A)
 &rst
  ixpk= 457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2238,2239,
 igr2=2233,2234,
 &end
#
#  141 ASN  HD2-         58 TYR  HB-         5.00    (#    458:20  Unique         6.30, 9.08 A)
 &rst
  ixpk= 458, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2238,2239,
 igr2= 943, 944,
 &end
#
#   58 TYR  HA           58 TYR  HB-         4.00    (#    459:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 459, nxpk= 20, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 943, 944,
 &end
#
#  141 ASN  HN          141 ASN  HB-         3.00    (#    460:20  Unique         2.24, 3.04 A)
 &rst
  ixpk= 460, nxpk= 20, iat=2229,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2233,2234,
 &end
#
#  142 ARG  HN          141 ASN  HB-         4.00    (#    461:20  Unique         2.96, 3.74 A)
 &rst
  ixpk= 461, nxpk= 20, iat=2243,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2233,2234,
 &end
#
#  141 ASN  HD2+        141 ASN  HB-         6.00    (#    462:20  Unique         2.12, 3.28 A)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2238,2239,
 igr2=2233,2234,
 &end
#
#  141 ASN  HN          141 ASN  HB+         3.00    (#    463:20  Unique         2.24, 3.04 A)
 &rst
  ixpk= 463, nxpk= 20, iat=2229,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2233,2234,
 &end
#
#    0 AMB  20-2:464      0 AMB  20-1:464    4.00    (#    464:20  Double Ambig)
 &rst
  ixpk= 464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1001,1002,2243,
 igr2= 943, 944,2233,2234,
 &end
#
#   82 LYS  HN           81 ILE  HB          4.00    (#    465:20  Unique         2.17, 2.40 A)
 &rst
  ixpk= 465, nxpk= 20, iat=1312,1297, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 ILE  HN           81 ILE  HB          4.00    (#    466:20  Unique         2.22, 2.42 A)
 &rst
  ixpk= 466, nxpk= 20, iat=1293,1297, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   55 ARG  HN           54 PHE  HB-         4.00    (#    467:20  Unique         2.69, 3.54 A)
 &rst
  ixpk= 467, nxpk= 20, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 865, 866,
 &end
#
#   54 PHE  HN           54 PHE  HB-         4.00    (#    468:20  Unique         1.91, 2.66 A)
 &rst
  ixpk= 468, nxpk= 20, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 865, 866,
 &end
#
#   54 PHE  HE           54 PHE  HB-         5.00    (#    469:20  Unique         4.66, 5.10 A)
 &rst
  ixpk= 469, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 871, 875,
 igr2= 865, 866,
 &end
#
#   58 TYR  HN           58 TYR  HB-         5.00    (#    470:20  Unique         2.12, 3.05 A)
 &rst
  ixpk= 470, nxpk= 20, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 943, 944,
 &end
#
#   55 ARG  HN           54 PHE  HB+         4.00    (#    471:20  Unique         2.69, 3.54 A)
 &rst
  ixpk= 471, nxpk= 20, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 865, 866,
 &end
#
#   54 PHE  HN           54 PHE  HB+         3.00    (#    472:20  Unique         1.91, 2.66 A)
 &rst
  ixpk= 472, nxpk= 20, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 865, 866,
 &end
#
#   58 TYR  HA           58 TYR  HB+         5.00    (#    475:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 475, nxpk= 20, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 943, 944,
 &end
#
#   53 GLU  HN           52 ASN  HB+         3.00    (#    476:20  Unique         3.24, 3.94 A)
 &rst
  ixpk= 476, nxpk= 20, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 836, 837,
 &end
#
#   24 GLU  HN           24 GLU  HG-         4.00    (#    477:20  Unique         2.06, 2.79 A)
 &rst
  ixpk= 477, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 390, 391,
 &end
#
#   24 GLU  HN           24 GLU  HG+         4.00    (#    478:20  Unique         2.06, 2.79 A)
 &rst
  ixpk= 478, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 390, 391,
 &end
#
#   52 ASN  HN           52 ASN  HB+         4.00    (#    479:20  Unique         2.04, 2.82 A)
 &rst
  ixpk= 479, nxpk= 20, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 836, 837,
 &end
#
#   52 ASN  HD2+         52 ASN  HB+         4.00    (#    480:20  Unique         2.13, 3.33 A)
 &rst
  ixpk= 480, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 841, 842,
 igr2= 836, 837,
 &end
#
#   52 ASN  HD2-         52 ASN  HB+         5.00    (#    481:20  Unique         2.13, 3.33 A)
 &rst
  ixpk= 481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 841, 842,
 igr2= 836, 837,
 &end
#
#   18 ASN  HD2+         18 ASN  HB+         4.00    (#    484:20  Unique         2.10, 3.12 A)
 &rst
  ixpk= 484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 302, 303,
 igr2= 297, 298,
 &end
#
#  146 GLU  HN          146 GLU  HG-         3.00    (#    485:20  Unique         2.04, 3.28 A)
 &rst
  ixpk= 485, nxpk= 20, iat=2312,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2319,2320,
 &end
#
#   34 ILE  HA           65 VAL  HB          6.00    (#    486:20  Unique         4.32, 4.65 A)
 &rst
  ixpk= 486, nxpk= 20, iat= 546,1059, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:489      0 AMB  20-1:489    3.00    (#    489:20  Double Ambig)
 &rst
  ixpk= 489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 846, 861,
 igr2= 853, 854, 853, 854,
 &end
#
#   10 LEU  HN            9 GLU  HG+         4.00    (#    490:20  Unique         4.53, 5.28 A)
 &rst
  ixpk= 490, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 155, 156,
 &end
#
#  146 GLU  HN          146 GLU  HG+         3.00    (#    491:20  Unique         2.04, 3.28 A)
 &rst
  ixpk= 491, nxpk= 20, iat=2312,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2319,2320,
 &end
#
#    0 AMB  20-2:492     29 GLU  HG-         6.00    (#    492:20  Single Ambig)
 &rst
  ixpk= 492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 460, 453,
 igr2= 467, 468,
 &end
#
#   46 GLU  HN           46 GLU  HG-         3.00    (#    493:20  Unique         2.01, 2.58 A)
 &rst
  ixpk= 493, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 750, 751,
 &end
#
#   47 ALA  HN           46 GLU  HG+         5.00    (#    494:20  Unique         4.14, 4.65 A)
 &rst
  ixpk= 494, nxpk= 20, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 750, 751,
 &end
#
#   46 GLU  HN           46 GLU  HG+         3.00    (#    495:20  Unique         2.01, 2.58 A)
 &rst
  ixpk= 495, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 750, 751,
 &end
#
#    0 AMB  20-2:496     53 GLU  HG-         3.00    (#    496:20  Single Ambig)
 &rst
  ixpk= 496, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 846, 861,
 igr2= 853, 854,
 &end
#
#    0 AMB  20-2:497     65 VAL  HB          3.00    (#    497:20  Single Ambig)
 &rst
  ixpk= 497, nxpk= 20, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1071,1055,
 &end
#
#    9 GLU  HN            9 GLU  HG+         3.00    (#    500:20  Unique         3.34, 4.01 A)
 &rst
  ixpk= 500, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 155, 156,
 &end
#
#   10 LEU  HN            9 GLU  HG-         4.00    (#    502:20  Unique         4.53, 5.28 A)
 &rst
  ixpk= 502, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 155, 156,
 &end
#
#    9 GLU  HN            9 GLU  HG-         3.00    (#    503:20  Unique         3.34, 4.01 A)
 &rst
  ixpk= 503, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 155, 156,
 &end
#
#    0 AMB  20-2:504      0 AMB  20-1:504    5.00    (#    504:20  Double Ambig)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 841, 842, 869, 877,
 igr2= 853, 854,2159,2160,
 &end
#
#    0 AMB  20-2:505    109 GLU  HG-         5.00    (#    505:20  Single Ambig)
 &rst
  ixpk= 505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1727,1698,
 igr2=1719,1720,
 &end
#
#   69 MET  HN           69 MET  HB+         4.00    (#    506:20  Unique         2.08, 2.70 A)
 &rst
  ixpk= 506, nxpk= 20, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1118,1119,
 &end
#
#   90 ILE  HN           90 ILE  HB          4.00    (#    508:20  Unique         2.31, 3.44 A)
 &rst
  ixpk= 508, nxpk= 20, iat=1427,1431, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:510     50 GLN  HG-         3.00    (#    510:20  Single Ambig)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 799, 811, 812,
 igr2= 806, 807,
 &end
#
#   87 GLU  HN           87 GLU  HG-         4.00    (#    511:20  Unique         2.90, 3.58 A)
 &rst
  ixpk= 511, nxpk= 20, iat=1383,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1390,1391,
 &end
#
#    0 AMB  20-2:512      0 AMB  20-1:512    3.00    (#    512:20  Double Ambig)
 &rst
  ixpk= 512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 799, 811, 812,
 igr2= 806, 807, 806, 807,
 &end
#
#   22 THR  HN           21 VAL  HB          4.00    (#    513:20  Unique         1.97, 3.02 A)
 &rst
  ixpk= 513, nxpk= 20, iat= 345, 333, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   30 LYS  HN           30 LYS  HB+         5.00    (#    514:20  Unique         2.32, 3.14 A)
 &rst
  ixpk= 514, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 479, 480,
 &end
#
#    0 AMB  20-2:515      0 AMB  20-1:515    5.00    (#    515:20  Double Ambig)
 &rst
  ixpk= 515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=  98,  99,2008,2012,
 igr2=   8,   9,   8,   9,
 &end
#
#   30 LYS  HA           30 LYS  HB+         4.00    (#    516:20  Unique         2.23, 2.75 A)
 &rst
  ixpk= 516, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 479, 480,
 &end
#
#   30 LYS  HN           30 LYS  HB-         4.00    (#    517:20  Unique         2.32, 3.14 A)
 &rst
  ixpk= 517, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 479, 480,
 &end
#
#    0 AMB  20-2:518      0 AMB  20-1:518    3.00    (#    518:20  Double Ambig)
 &rst
  ixpk= 518, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 477, 329,
 igr2= 479, 480, 333, 321, 322,
 &end
#
#    0 AMB  20-2:519      0 AMB  20-1:519    5.00    (#    519:20  Double Ambig)
 &rst
  ixpk= 519, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 314, 410, 411,
 igr2= 321, 322, 333,
 &end
#
#   21 VAL  HN           20 GLU  HG+         6.00    (#    520:20  Unique         2.67, 4.70 A)
 &rst
  ixpk= 520, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 321, 322,
 &end
#
#   20 GLU  HN           20 GLU  HG+         5.00    (#    521:20  Unique         1.86, 3.58 A)
 &rst
  ixpk= 521, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 321, 322,
 &end
#
#   37 TRP  HA          112 PRO  HB+         5.00    (#    522:20  Unique         2.12, 3.12 A)
 &rst
  ixpk= 522, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1771,1772,
 &end
#
#    0 AMB  20-2:523      1 MET  HB-         5.00    (#    523:20  Single Ambig)
 &rst
  ixpk= 523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=  98,  99,2008,2012,
 igr2=   8,   9,
 &end
#
#   59 GLN  HE2-         61 GLN  HG+         5.00    (#    525:20  Unique         6.43, 9.47 A)
 &rst
  ixpk= 525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 972, 973,
 igr2= 996, 997,
 &end
#
#   61 GLN  HE2+         61 GLN  HG+         4.00    (#    526:20  Unique         2.10, 3.39 A)
 &rst
  ixpk= 526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1001,1002,
 igr2= 996, 997,
 &end
#
#   61 GLN  HN           61 GLN  HG-         4.00    (#    527:20  Unique         1.92, 3.67 A)
 &rst
  ixpk= 527, nxpk= 20, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 996, 997,
 &end
#
#  122 GLN  HN          122 GLN  HG+         4.00    (#    528:20  Unique         2.58, 3.52 A)
 &rst
  ixpk= 528, nxpk= 20, iat=1921,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1928,1929,
 &end
#
#    2 LYS  HN            2 LYS  HB+         4.00    (#    530:20  Unique         2.50, 3.41 A)
 &rst
  ixpk= 530, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  25,  26,
 &end
#
#   61 GLN  HN           61 GLN  HG+         4.00    (#    532:20  Unique         1.92, 3.67 A)
 &rst
  ixpk= 532, nxpk= 20, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 996, 997,
 &end
#
#  122 GLN  HN          122 GLN  HG-         4.00    (#    534:20  Unique         2.58, 3.52 A)
 &rst
  ixpk= 534, nxpk= 20, iat=1921,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1928,1929,
 &end
#
#    0 AMB  20-2:535      0 AMB  20-1:535    4.00    (#    535:20  Double Ambig)
 &rst
  ixpk= 535, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1933,1934,1981,
 igr2=1928,1929,1985,1986,
 &end
#
#   61 GLN  HE2+         61 GLN  HG-         5.00    (#    536:20  Unique         2.10, 3.39 A)
 &rst
  ixpk= 536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1001,1002,
 igr2= 996, 997,
 &end
#
#  122 GLN  HE2+        122 GLN  HG+         6.00    (#    537:20  Unique         2.10, 3.24 A)
 &rst
  ixpk= 537, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1933,1934,
 igr2=1928,1929,
 &end
#
#   64 VAL  HN           64 VAL  HB          3.00    (#    538:20  Unique         2.27, 2.54 A)
 &rst
  ixpk= 538, nxpk= 20, iat=1039,1043, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    3 LEU  HN            2 LYS  HB+         4.00    (#    539:20  Unique         2.01, 3.45 A)
 &rst
  ixpk= 539, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  25,  26,
 &end
#
#    3 LEU  HN            2 LYS  HB-         6.00    (#    540:20  Unique         2.01, 3.45 A)
 &rst
  ixpk= 540, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  25,  26,
 &end
#
#    2 LYS  HN            2 LYS  HB-         5.00    (#    541:20  Unique         2.50, 3.41 A)
 &rst
  ixpk= 541, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  25,  26,
 &end
#
#    5 GLN  HE2-          5 GLN  HG+         3.00    (#    542:20  Unique         2.10, 3.39 A)
 &rst
  ixpk= 542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  98,  99,
 igr2=  93,  94,
 &end
#
#   25 GLN  HE2+         25 GLN  HG-         4.00    (#    543:20  Unique         2.10, 3.29 A)
 &rst
  ixpk= 543, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 410, 411,
 igr2= 405, 406,
 &end
#
#    0 AMB  20-2:544     31 PRO  HB-         4.00    (#    544:20  Single Ambig)
 &rst
  ixpk= 544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 511,1866,
 igr2= 504, 505,
 &end
#
#   59 GLN  HN           59 GLN  HG+         3.00    (#    545:20  Unique         3.36, 4.36 A)
 &rst
  ixpk= 545, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 967, 968,
 &end
#
#   32 THR  HN           31 PRO  HB+         4.00    (#    546:20  Unique         2.77, 3.25 A)
 &rst
  ixpk= 546, nxpk= 20, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 504, 505,
 &end
#
#   60 ASP  HN           59 GLN  HG+         5.00    (#    547:20  Unique         4.19, 5.20 A)
 &rst
  ixpk= 547, nxpk= 20, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 967, 968,
 &end
#
#   60 ASP  HN           59 GLN  HG-         6.00    (#    548:20  Unique         4.19, 5.20 A)
 &rst
  ixpk= 548, nxpk= 20, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 967, 968,
 &end
#
#  125 HIS  HN          116 VAL  HB          4.00    (#    549:20  Unique         2.56, 3.28 A)
 &rst
  ixpk= 549, nxpk= 20, iat=1981,1834, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  116 VAL  HN          116 VAL  HB          5.00    (#    550:20  Unique         2.15, 2.57 A)
 &rst
  ixpk= 550, nxpk= 20, iat=1830,1834, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 GLU  HN           29 GLU  HB+         6.00    (#    551:20  Unique         2.67, 3.44 A)
 &rst
  ixpk= 551, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 464, 465,
 &end
#
#   30 LYS  HN           29 GLU  HB+         5.00    (#    552:20  Unique         2.09, 3.44 A)
 &rst
  ixpk= 552, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 464, 465,
 &end
#
#   30 LYS  HN           29 GLU  HB-         4.00    (#    553:20  Unique         2.09, 3.44 A)
 &rst
  ixpk= 553, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 464, 465,
 &end
#
#   29 GLU  HN           29 GLU  HB-         4.00    (#    554:20  Unique         2.67, 3.44 A)
 &rst
  ixpk= 554, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 464, 465,
 &end
#
#   67 VAL  HN           67 VAL  HB          5.00    (#    555:20  Unique         2.60, 2.91 A)
 &rst
  ixpk= 555, nxpk= 20, iat=1081,1085, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 PHE  HA           67 VAL  HB          4.00    (#    556:20  Unique         1.98, 2.89 A)
 &rst
  ixpk= 556, nxpk= 20, iat= 582,1085, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLN  HN           59 GLN  HG-         3.00    (#    557:20  Unique         3.36, 4.36 A)
 &rst
  ixpk= 557, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 967, 968,
 &end
#
#   61 GLN  HN           61 GLN  HB+         5.00    (#    558:20  Unique         2.39, 3.17 A)
 &rst
  ixpk= 558, nxpk= 20, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 993, 994,
 &end
#
#   83 GLU  HN           82 LYS  HB+         3.00    (#    559:20  Unique         2.46, 3.51 A)
 &rst
  ixpk= 559, nxpk= 20, iat=1334,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1316,1317,
 &end
#
#   82 LYS  HN           82 LYS  HB+         3.00    (#    560:20  Unique         2.10, 2.48 A)
 &rst
  ixpk= 560, nxpk= 20, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1316,1317,
 &end
#
#   82 LYS  HN           82 LYS  HB-         3.00    (#    561:20  Unique         2.10, 2.48 A)
 &rst
  ixpk= 561, nxpk= 20, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1316,1317,
 &end
#
#    0 AMB  20-2:562      0 AMB  20-1:562    5.00    (#    562:20  Double Ambig)
 &rst
  ixpk= 562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 240,1558,
 igr2= 222, 223, 222, 223,
 &end
#
#   57 LYS  HN           57 LYS  HB-         3.00    (#    563:20  Unique         2.17, 2.68 A)
 &rst
  ixpk= 563, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 921, 922,
 &end
#
#   58 TYR  HN           57 LYS  HB-         4.00    (#    564:20  Unique         2.16, 3.39 A)
 &rst
  ixpk= 564, nxpk= 20, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 921, 922,
 &end
#
#    0 AMB  20-2:565     14 LYS  HB-         5.00    (#    565:20  Single Ambig)
 &rst
  ixpk= 565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 240,1558,
 igr2= 222, 223,
 &end
#
#   57 LYS  HN           57 LYS  HB+         3.00    (#    566:20  Unique         2.17, 2.68 A)
 &rst
  ixpk= 566, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 921, 922,
 &end
#
#    7 MET  HN            6 PRO  HB+         4.00    (#    567:20  Unique         1.83, 2.59 A)
 &rst
  ixpk= 567, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 110, 111,
 &end
#
#    0 AMB  20-2:568      0 AMB  20-1:568    3.00    (#    568:20  Double Ambig)
 &rst
  ixpk= 568, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1334, 743,
 igr2=1316,1317, 725, 726,
 &end
#
#   80 LYS  HN           80 LYS  HB-         3.00    (#    570:20  Unique         2.24, 3.09 A)
 &rst
  ixpk= 570, nxpk= 20, iat=1271,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1275,1276,
 &end
#
#    7 MET  HN            6 PRO  HB-         4.00    (#    571:20  Unique         1.83, 2.59 A)
 &rst
  ixpk= 571, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 110, 111,
 &end
#
#   58 TYR  HN           57 LYS  HB+         4.00    (#    572:20  Unique         2.16, 3.39 A)
 &rst
  ixpk= 572, nxpk= 20, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 921, 922,
 &end
#
#   35 HIS  HA           35 HIS  HB-         5.00    (#    573:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 573, nxpk= 20, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 567, 568,
 &end
#
#   36 PHE  HN           35 HIS  HB+         6.00    (#    574:20  Unique         3.12, 3.63 A)
 &rst
  ixpk= 574, nxpk= 20, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 567, 568,
 &end
#
#   35 HIS  HA           35 HIS  HB+         5.00    (#    575:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 575, nxpk= 20, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 567, 568,
 &end
#
#    9 GLU  HN            8 PRO  HB-         3.00    (#    576:20  Unique         2.06, 3.12 A)
 &rst
  ixpk= 576, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 141, 142,
 &end
#
#    0 AMB  20-2:577      0 AMB  20-1:577    6.00    (#    577:20  Double Ambig)
 &rst
  ixpk= 577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1264,1349, 218,
 igr2=1257,1258,1316,1317,1257,1258,
 &end
#
#   45 LYS  HN           45 LYS  HB+         5.00    (#    578:20  Unique         2.00, 2.91 A)
 &rst
  ixpk= 578, nxpk= 20, iat= 721,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 725, 726,
 &end
#
#  138 LYS  HN          138 LYS  HB-         3.00    (#    579:20  Unique         2.88, 3.29 A)
 &rst
  ixpk= 579, nxpk= 20, iat=2167,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2171,2172,
 &end
#
#    9 GLU  HN            8 PRO  HB+         4.00    (#    580:20  Unique         2.06, 3.12 A)
 &rst
  ixpk= 580, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 141, 142,
 &end
#
#  119 LYS  HN          119 LYS  HB+         5.00    (#    581:20  Unique         2.06, 2.96 A)
 &rst
  ixpk= 581, nxpk= 20, iat=1878,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1882,1883,
 &end
#
#  110 TYR  HN          109 GLU  HB-         4.00    (#    583:20  Unique         2.46, 4.06 A)
 &rst
  ixpk= 583, nxpk= 20, iat=1727,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1716,1717,
 &end
#
#  110 TYR  HN          109 GLU  HB-         4.00    (#    584:20  Unique         2.46, 4.06 A)
 &rst
  ixpk= 584, nxpk= 20, iat=1727,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1716,1717,
 &end
#
#   16 TRP  HA           16 TRP  HB-         5.00    (#    585:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 585, nxpk= 20, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 254, 255,
 &end
#
#  144 LEU  HN          143 VAL  HB          4.00    (#    587:20  Unique         2.40, 3.74 A)
 &rst
  ixpk= 587, nxpk= 20, iat=2283,2271, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  142 ARG  HN          143 VAL  HB          5.00    (#    588:20  Unique         4.55, 4.80 A)
 &rst
  ixpk= 588, nxpk= 20, iat=2243,2271, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  143 VAL  HN          143 VAL  HB          3.00    (#    589:20  Unique         2.07, 2.29 A)
 &rst
  ixpk= 589, nxpk= 20, iat=2267,2271, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  140 VAL  HN          140 VAL  HB          3.00    (#    591:20  Unique         1.98, 2.36 A)
 &rst
  ixpk= 591, nxpk= 20, iat=2213,2217, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  141 ASN  HN          140 VAL  HB          3.00    (#    592:20  Unique         2.01, 2.44 A)
 &rst
  ixpk= 592, nxpk= 20, iat=2229,2217, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   52 ASN  HN           51 VAL  HB          3.00    (#    593:20  Unique         2.86, 3.26 A)
 &rst
  ixpk= 593, nxpk= 20, iat= 832, 820, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   51 VAL  HN           51 VAL  HB          3.00    (#    594:20  Unique         2.00, 2.29 A)
 &rst
  ixpk= 594, nxpk= 20, iat= 816, 820, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  148 GLU  HN          148 GLU  HB+         3.00    (#    595:20  Unique         3.18, 3.61 A)
 &rst
  ixpk= 595, nxpk= 20, iat=2341,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2345,2346,
 &end
#
#    0 AMB  20-2:596      0 AMB  20-1:596    4.00    (#    596:20  Double Ambig)
 &rst
  ixpk= 596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 811, 812, 799,
 igr2= 792, 793, 792, 793,
 &end
#
#   21 VAL  HN           20 GLU  HB-         4.00    (#    597:20  Unique         2.20, 3.77 A)
 &rst
  ixpk= 597, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 318, 319,
 &end
#
#   20 GLU  HN           20 GLU  HB+         4.00    (#    598:20  Unique         2.07, 3.07 A)
 &rst
  ixpk= 598, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 318, 319,
 &end
#
#   23 ARG  HN           23 ARG  HB+         4.00    (#    600:20  Unique         2.28, 3.05 A)
 &rst
  ixpk= 600, nxpk= 20, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 363, 364,
 &end
#
#   24 GLU  HN           23 ARG  HB+         4.00    (#    601:20  Unique         3.17, 4.13 A)
 &rst
  ixpk= 601, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 363, 364,
 &end
#
#    0 AMB  20-2:602      0 AMB  20-1:602    4.00    (#    602:20  Double Ambig)
 &rst
  ixpk= 602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1938, 917,
 igr2=1925,1926, 885, 886,
 &end
#
#  122 GLN  HN          122 GLN  HB+         4.00    (#    603:20  Unique         2.55, 3.23 A)
 &rst
  ixpk= 603, nxpk= 20, iat=1921,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1925,1926,
 &end
#
#   46 GLU  HN           46 GLU  HB+         4.00    (#    605:20  Unique         2.48, 3.11 A)
 &rst
  ixpk= 605, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 747, 748,
 &end
#
#   47 ALA  HN           46 GLU  HB+         4.00    (#    606:20  Unique         2.98, 3.94 A)
 &rst
  ixpk= 606, nxpk= 20, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 747, 748,
 &end
#
#   83 GLU  HN           83 GLU  HB+         5.00    (#    608:20  Unique         2.02, 2.69 A)
 &rst
  ixpk= 608, nxpk= 20, iat=1334,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1338,1339,
 &end
#
#   84 THR  HN           83 GLU  HB-         3.00    (#    609:20  Unique         2.47, 2.99 A)
 &rst
  ixpk= 609, nxpk= 20, iat=1349,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1338,1339,
 &end
#
#   83 GLU  HN           83 GLU  HB-         3.00    (#    610:20  Unique         2.02, 2.69 A)
 &rst
  ixpk= 610, nxpk= 20, iat=1334,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1338,1339,
 &end
#
#   46 GLU  HN           46 GLU  HB-         3.00    (#    611:20  Unique         2.48, 3.11 A)
 &rst
  ixpk= 611, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 747, 748,
 &end
#
#    5 GLN  HE2+          5 GLN  HB-         4.00    (#    612:20  Unique         1.82, 3.84 A)
 &rst
  ixpk= 612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  98,  99,
 igr2=  90,  91,
 &end
#
#    9 GLU  HN            9 GLU  HB-         3.00    (#    613:20  Unique         2.62, 3.35 A)
 &rst
  ixpk= 613, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 152, 153,
 &end
#
#  142 ARG  HN          142 ARG  HB+         3.00    (#    614:20  Unique         2.02, 2.63 A)
 &rst
  ixpk= 614, nxpk= 20, iat=2243,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2247,2248,
 &end
#
#   10 LEU  HN            9 GLU  HB+         5.00    (#    615:20  Unique         3.83, 4.42 A)
 &rst
  ixpk= 615, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 152, 153,
 &end
#
#    9 GLU  HN            9 GLU  HB+         3.00    (#    616:20  Unique         2.62, 3.35 A)
 &rst
  ixpk= 616, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 152, 153,
 &end
#
#    5 GLN  HE2-          5 GLN  HB+         3.00    (#    617:20  Unique         1.82, 3.84 A)
 &rst
  ixpk= 617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  98,  99,
 igr2=  90,  91,
 &end
#
#   87 GLU  HN           87 GLU  HB-         3.00    (#    618:20  Unique         2.10, 2.87 A)
 &rst
  ixpk= 618, nxpk= 20, iat=1383,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1387,1388,
 &end
#
#    5 GLN  HE2-          5 GLN  HB-         3.00    (#    621:20  Unique         1.82, 3.84 A)
 &rst
  ixpk= 621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  98,  99,
 igr2=  90,  91,
 &end
#
#   87 GLU  HN           87 GLU  HB+         3.00    (#    622:20  Unique         2.10, 2.87 A)
 &rst
  ixpk= 622, nxpk= 20, iat=1383,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1387,1388,
 &end
#
#   82 LYS  HN           82 LYS  HD+         5.00    (#    623:20  Unique         3.51, 4.79 A)
 &rst
  ixpk= 623, nxpk= 20, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1322,1323,
 &end
#
#    0 AMB  20-2:625     25 GLN  HB-         3.00    (#    625:20  Single Ambig)
 &rst
  ixpk= 625, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 345, 398,
 igr2= 402, 403,
 &end
#
#  146 GLU  HN          146 GLU  HB-         3.00    (#    627:20  Unique         2.23, 3.16 A)
 &rst
  ixpk= 627, nxpk= 20, iat=2312,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2316,2317,
 &end
#
#   47 ALA  HN           50 GLN  HB-         5.00    (#    628:20  Unique         4.94, 6.20 A)
 &rst
  ixpk= 628, nxpk= 20, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 803, 804,
 &end
#
#    0 AMB  20-2:629      0 AMB  20-1:629    3.00    (#    629:20  Double Ambig)
 &rst
  ixpk= 629, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 345, 398,
 igr2= 402, 403, 402, 403,
 &end
#
#  138 LYS  HN          138 LYS  HD+         5.00    (#    630:20  Unique         1.84, 2.29 A)
 &rst
  ixpk= 630, nxpk= 20, iat=2167,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2177,2178,
 &end
#
#   63 ASN  HD2+         30 LYS  HD-         6.00    (#    631:20  Unique         3.08, 6.17 A)
 &rst
  ixpk= 631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1034,1035,
 igr2= 485, 486,
 &end
#
#    0 AMB  20-2:632     50 GLN  HB-         3.00    (#    632:20  Single Ambig)
 &rst
  ixpk= 632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 811, 812, 799,
 igr2= 803, 804,
 &end
#
#    0 AMB  20-2:633     53 GLU  HB-         3.00    (#    633:20  Single Ambig)
 &rst
  ixpk= 633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 846, 861,
 igr2= 850, 851,
 &end
#
#   24 GLU  HN           24 GLU  HB-         3.00    (#    634:20  Unique         2.29, 3.03 A)
 &rst
  ixpk= 634, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 387, 388,
 &end
#
#    0 AMB  20-2:635      0 AMB  20-1:635    3.00    (#    635:20  Double Ambig)
 &rst
  ixpk= 635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 846, 861,
 igr2= 850, 851, 850, 851,
 &end
#
#   59 GLN  HN           59 GLN  HB+         3.00    (#    636:20  Unique         2.02, 2.59 A)
 &rst
  ixpk= 636, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 964, 965,
 &end
#
#   59 GLN  HN           59 GLN  HB-         3.00    (#    637:20  Unique         2.02, 2.59 A)
 &rst
  ixpk= 637, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 964, 965,
 &end
#
#   24 GLU  HN           24 GLU  HB+         3.00    (#    638:20  Unique         2.29, 3.03 A)
 &rst
  ixpk= 638, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 387, 388,
 &end
#
#    0 AMB  20-2:639      0 AMB  20-1:639    5.00    (#    639:20  Double Ambig)
 &rst
  ixpk= 639, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 546, 527,
 igr2= 554, 555, 554, 555,
 &end
#
#   50 GLN  HN           50 GLN  HB+         3.00    (#    640:20  Unique         2.20, 2.97 A)
 &rst
  ixpk= 640, nxpk= 20, iat= 799,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 803, 804,
 &end
#
#  139 ARG  HN          139 ARG  HB+         5.00    (#    642:20  Unique         2.03, 2.79 A)
 &rst
  ixpk= 642, nxpk= 20, iat=2189,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2193,2194,
 &end
#
#    0 AMB  20-2:643     34 ILE  HG1-        4.00    (#    643:20  Single Ambig)
 &rst
  ixpk= 643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 546, 527,
 igr2= 554, 555,
 &end
#
#    4 ARG  HN            4 ARG  HG+         5.00    (#    645:20  Unique         2.74, 3.63 A)
 &rst
  ixpk= 645, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  69,  70,
 &end
#
#   81 ILE  HN           81 ILE  HG1+        5.00    (#    646:20  Unique         1.90, 2.83 A)
 &rst
  ixpk= 646, nxpk= 20, iat=1293,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1303,1304,
 &end
#
#   48 MET  HN           48 MET  HB-         5.00    (#    647:20  Unique         1.97, 2.83 A)
 &rst
  ixpk= 647, nxpk= 20, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 772, 773,
 &end
#
#    0 AMB  20-2:648      0 AMB  20-1:648    4.00    (#    648:20  Double Ambig)
 &rst
  ixpk= 648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1683,1698,
 igr2=1687,1688,1687,1688,
 &end
#
#    0 AMB  20-2:649    107 GLU  HB-         4.00    (#    649:20  Single Ambig)
 &rst
  ixpk= 649, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1683,1698,
 igr2=1687,1688,
 &end
#
#   30 LYS  HA           31 PRO  HG-         4.00    (#    650:20  Unique         4.24, 4.53 A)
 &rst
  ixpk= 650, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 501, 502,
 &end
#
#    4 ARG  HN            4 ARG  HG-         6.00    (#    651:20  Unique         2.74, 3.63 A)
 &rst
  ixpk= 651, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  69,  70,
 &end
#
#   79 GLY  HN           78 PRO  HG+         5.00    (#    652:20  Unique         3.75, 4.47 A)
 &rst
  ixpk= 652, nxpk= 20, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1254,1255,
 &end
#
#   30 LYS  HA           31 PRO  HG-         4.00    (#    653:20  Unique         4.24, 4.53 A)
 &rst
  ixpk= 653, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 501, 502,
 &end
#
#    3 LEU  HN            3 LEU  HG          3.00    (#    654:20  Unique         1.82, 1.97 A)
 &rst
  ixpk= 654, nxpk= 20, iat=  43,  50, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   10 LEU  HN           10 LEU  HG          4.00    (#    655:20  Unique         2.15, 3.59 A)
 &rst
  ixpk= 655, nxpk= 20, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:656      0 AMB  20-1:656    4.00    (#    656:20  Double Ambig)
 &rst
  ixpk= 656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1238,2267,
 igr2=1226,2250,2251,
 &end
#
#  142 ARG  HN          142 ARG  HG+         3.00    (#    657:20  Unique         3.16, 3.91 A)
 &rst
  ixpk= 657, nxpk= 20, iat=2243,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2250,2251,
 &end
#
#   17 LEU  HN           17 LEU  HG          5.00    (#    658:20  Unique         2.05, 4.14 A)
 &rst
  ixpk= 658, nxpk= 20, iat= 274, 281, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  144 LEU  HN          144 LEU  HG          3.00    (#    659:20  Unique         2.03, 2.62 A)
 &rst
  ixpk= 659, nxpk= 20, iat=2283,2290, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   27 ILE  HN           27 ILE  HG1-        4.00    (#    660:20  Unique         1.82, 2.57 A)
 &rst
  ixpk= 660, nxpk= 20, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 444, 445,
 &end
#
#   58 TYR  HD           62 LEU  MDY         6.00    (#    661:20  Unique         1.97, 5.45 A)
 &rst
  ixpk= 661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 947, 956,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   76 LEU  HN           76 LEU  HG          4.00    (#    662:20  Unique         2.96, 3.79 A)
 &rst
  ixpk= 662, nxpk= 20, iat=1219,1226, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 ILE  HN           90 ILE  HG1-        6.00    (#    663:20  Unique         1.79, 2.54 A)
 &rst
  ixpk= 663, nxpk= 20, iat=1427,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1437,1438,
 &end
#
#   27 ILE  HN           27 ILE  HG1+        5.00    (#    664:20  Unique         1.82, 2.57 A)
 &rst
  ixpk= 664, nxpk= 20, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 444, 445,
 &end
#
#   26 LEU  HN           26 LEU  MDY         4.00    (#    665:20  Unique         2.73, 4.44 A)
 &rst
  ixpk= 665, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   54 PHE  HD           62 LEU  MDY         5.00    (#    666:20  Unique         2.68, 8.02 A)
 &rst
  ixpk= 666, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 869, 877,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#  106 PHE  HE          102 LEU  HG          6.00    (#    667:20  Unique         1.91, 7.18 A)
 &rst
  ixpk= 667, nxpk= 20, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1673,1677,
 &end
#
#  106 PHE  HD          102 LEU  HG          6.00    (#    668:20  Unique         3.25, 6.47 A)
 &rst
  ixpk= 668, nxpk= 20, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1671,1679,
 &end
#
#   33 LEU  HN           33 LEU  MDX         4.00    (#    671:20  Unique         3.54, 5.15 A)
 &rst
  ixpk= 671, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#    4 ARG  HN          123 LEU  MDX         5.00    (#    672:20  Unique         3.42, 5.69 A)
 &rst
  ixpk= 672, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#   54 PHE  HD           33 LEU  MDX         5.00    (#    673:20  Unique         1.97, 7.48 A)
 &rst
  ixpk= 673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 869, 877,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#    0 AMB  20-2:675     33 LEU  MDX         6.00    (#    675:20  Single Ambig)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 527, 546,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  117 PHE  HD          123 LEU  MDX         4.00    (#    677:20  Unique         2.79, 5.44 A)
 &rst
  ixpk= 677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1854,1862,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#   26 LEU  HN           26 LEU  HG          6.00    (#    678:20  Unique         1.98, 2.53 A)
 &rst
  ixpk= 678, nxpk= 20, iat= 415, 422, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 LEU  HN           26 LEU  HG          5.00    (#    679:20  Unique         1.98, 2.53 A)
 &rst
  ixpk= 679, nxpk= 20, iat= 415, 422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:680     39 ILE  HG1-        6.00    (#    680:20  Single Ambig)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 654,1207,
 igr2= 645, 646,
 &end
#
#  144 LEU  HN          144 LEU  MDY         4.00    (#    681:20  Unique         2.59, 4.37 A)
 &rst
  ixpk= 681, nxpk= 20, iat=2283,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2292,2293,2294,2296,2297,2298,
 &end
#
#   54 PHE  HE          136 LEU  MDY         4.00    (#    682:20  Unique         1.97, 6.97 A)
 &rst
  ixpk= 682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 871, 875,
 igr2=2142,2143,2144,2146,2147,2148,
 &end
#
#   80 LYS  HN           80 LYS  HG-         4.00    (#    684:20  Unique         1.87, 3.18 A)
 &rst
  ixpk= 684, nxpk= 20, iat=1271,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1278,1279,
 &end
#
#  139 ARG  HN          139 ARG  HG+         4.00    (#    685:20  Unique         1.98, 3.45 A)
 &rst
  ixpk= 685, nxpk= 20, iat=2189,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2196,2197,
 &end
#
#  138 LYS  HN          138 LYS  HG-         4.00    (#    686:20  Unique         1.83, 2.64 A)
 &rst
  ixpk= 686, nxpk= 20, iat=2167,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2174,2175,
 &end
#
#   76 LEU  HN           76 LEU  MDY         4.00    (#    688:20  Unique         1.94, 5.03 A)
 &rst
  ixpk= 688, nxpk= 20, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1228,1229,1230,1232,1233,1234,
 &end
#
#   17 LEU  HN           17 LEU  MDX         5.00    (#    689:20  Unique         1.96, 4.21 A)
 &rst
  ixpk= 689, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#   82 LYS  HN           17 LEU  MDX         5.00    (#    690:20  Unique         2.69, 4.66 A)
 &rst
  ixpk= 690, nxpk= 20, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#  114 TYR  HN          113 ALA  MB          4.00    (#    691:20  Unique         2.30, 3.35 A)
 &rst
  ixpk= 691, nxpk= 20, iat=1788,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1782,1783,1784,
 &end
#
#  108 ASN  HD2-        113 ALA  MB          4.00    (#    692:20  Unique         5.32, 7.89 A)
 &rst
  ixpk= 692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1707,1708,
 igr2=1782,1783,1784,
 &end
#
#  115 TYR  HE          113 ALA  MB          3.00    (#    696:20  Unique         1.96, 5.04 A)
 &rst
  ixpk= 696, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1819,1824,
 igr2=1782,1783,1784,
 &end
#
#  108 ASN  HD2+        113 ALA  MB          6.00    (#    697:20  Unique         5.32, 7.89 A)
 &rst
  ixpk= 697, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1707,1708,
 igr2=1782,1783,1784,
 &end
#
#    0 AMB  20-2:698      0 AMB  20-1:698    4.00    (#    698:20  Double Ambig)
 &rst
  ixpk= 698, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2152,1312,
 igr2=2174,2175,1319,1320,1278,1279,
 &end
#
#   80 LYS  HN           80 LYS  HG+         4.00    (#    699:20  Unique         1.87, 3.18 A)
 &rst
  ixpk= 699, nxpk= 20, iat=1271,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1278,1279,
 &end
#
#    0 AMB  20-2:700    113 ALA  MB          3.00    (#    700:20  Single Ambig)
 &rst
  ixpk= 700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=2008,2012,1778,
 igr2=1782,1783,1784,
 &end
#
#    2 LYS  HN            2 LYS  HG-         4.00    (#    701:20  Unique         1.92, 2.92 A)
 &rst
  ixpk= 701, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  28,  29,
 &end
#
#    3 LEU  HN            2 LYS  HG-         4.00    (#    702:20  Unique         3.11, 4.77 A)
 &rst
  ixpk= 702, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  28,  29,
 &end
#
#   34 ILE  HN           33 LEU  MDY         4.00    (#    703:20  Unique         1.93, 4.37 A)
 &rst
  ixpk= 703, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#    0 AMB  20-2:707     33 LEU  MDY         3.00    (#    707:20  Single Ambig)
 &rst
  ixpk= 707, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 527, 546,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  114 TYR  HA           33 LEU  MDY         4.00    (#    708:20  Unique         2.97, 5.13 A)
 &rst
  ixpk= 708, nxpk= 20, iat=1790,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  116 VAL  HA           33 LEU  MDY         5.00    (#    709:20  Unique         2.07, 4.97 A)
 &rst
  ixpk= 709, nxpk= 20, iat=1832,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#    4 ARG  HN            3 LEU  MDX         6.00    (#    710:20  Unique         3.23, 5.36 A)
 &rst
  ixpk= 710, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    3 LEU  HN            3 LEU  MDX         4.00    (#    711:20  Unique         2.09, 3.97 A)
 &rst
  ixpk= 711, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#  115 TYR  HN           33 LEU  MDY         4.00    (#    713:20  Unique         2.26, 4.82 A)
 &rst
  ixpk= 713, nxpk= 20, iat=1809,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  108 ASN  HD2-        111 VAL  MGX         4.00    (#    714:20  Unique         1.89, 4.36 A)
 &rst
  ixpk= 714, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1707,1708,
 igr2=1754,1755,1756,1758,1759,1760,
 &end
#
#   37 TRP  HA          111 VAL  MGX         6.00    (#    715:20  Unique         2.44, 5.28 A)
 &rst
  ixpk= 715, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1754,1755,1756,1758,1759,1760,
 &end
#
#   37 TRP  HN          111 VAL  MGX         5.00    (#    716:20  Unique         3.70, 5.86 A)
 &rst
  ixpk= 716, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1754,1755,1756,1758,1759,1760,
 &end
#
#  111 VAL  HN          111 VAL  MGX         4.00    (#    717:20  Unique         1.85, 3.95 A)
 &rst
  ixpk= 717, nxpk= 20, iat=1748,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1754,1755,1756,1758,1759,1760,
 &end
#
#  113 ALA  HN          111 VAL  MGX         5.00    (#    718:20  Unique         3.42, 5.39 A)
 &rst
  ixpk= 718, nxpk= 20, iat=1778,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1754,1755,1756,1758,1759,1760,
 &end
#
#  144 LEU  HN          144 LEU  MDX         4.00    (#    719:20  Unique         2.59, 4.37 A)
 &rst
  ixpk= 719, nxpk= 20, iat=2283,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2292,2293,2294,2296,2297,2298,
 &end
#
#    0 AMB  20-2:720    102 LEU  MDX         4.00    (#    720:20  Single Ambig)
 &rst
  ixpk= 720, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 182,1817,1826,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#    5 GLN  HE2+        102 LEU  MDX         6.00    (#    721:20  Unique         5.09, 9.04 A)
 &rst
  ixpk= 721, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  98,  99,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#   36 PHE  HD          102 LEU  MDX         4.00    (#    722:20  Unique         2.89, 6.78 A)
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 588, 596,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  20-2:724     10 LEU  MDY         5.00    (#    724:20  Single Ambig)
 &rst
  ixpk= 724, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 182,1817,1826,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#  125 HIS  HN          123 LEU  MDY         4.00    (#    725:20  Unique         1.98, 4.72 A)
 &rst
  ixpk= 725, nxpk= 20, iat=1981,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#  124 ARG  HN          123 LEU  MDY         4.00    (#    726:20  Unique         2.06, 4.76 A)
 &rst
  ixpk= 726, nxpk= 20, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#  116 VAL  HN          123 LEU  MDY         4.00    (#    727:20  Unique         2.37, 4.35 A)
 &rst
  ixpk= 727, nxpk= 20, iat=1830,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#  117 PHE  HD          123 LEU  MDY         3.00    (#    729:20  Unique         2.79, 5.44 A)
 &rst
  ixpk= 729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1854,1862,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#    0 AMB  20-2:730    123 LEU  MDY         4.00    (#    730:20  Single Ambig)
 &rst
  ixpk= 730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1848,2000,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#  115 TYR  HA          123 LEU  MDY         4.00    (#    731:20  Unique         2.93, 4.77 A)
 &rst
  ixpk= 731, nxpk= 20, iat=1811,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#    0 AMB  20-2:732    102 LEU  MDX         5.00    (#    732:20  Single Ambig)
 &rst
  ixpk= 732, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1594,1520,1524,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  20-2:733    102 LEU  MDX         3.00    (#    733:20  Single Ambig)
 &rst
  ixpk= 733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1737,1742,1673,1677,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#  140 VAL  HN          140 VAL  MGX         3.00    (#    734:20  Unique         1.75, 3.73 A)
 &rst
  ixpk= 734, nxpk= 20, iat=2213,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  141 ASN  HN          140 VAL  MGX         4.00    (#    735:20  Unique         1.84, 4.07 A)
 &rst
  ixpk= 735, nxpk= 20, iat=2229,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#   10 LEU  HN           10 LEU  MDY         4.00    (#    736:20  Unique         1.94, 3.82 A)
 &rst
  ixpk= 736, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#  126 PHE  HD          136 LEU  MDX         6.00    (#    739:20  Unique         5.25, 9.31 A)
 &rst
  ixpk= 739, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2006,2014,
 igr2=2142,2143,2144,2146,2147,2148,
 &end
#
#    0 AMB  20-2:740      0 AMB  20-1:740    4.00    (#    740:20  Double Ambig)
 &rst
  ixpk= 740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=2052, 832,
 igr2= 701, 702, 703, 705, 706, 707, 822, 823, 824, 826,
       827, 828,
 &end
#
#    0 AMB  20-2:741     51 VAL  MGY         3.00    (#    741:20  Single Ambig)
 &rst
  ixpk= 741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 610, 816,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   37 TRP  HD1          51 VAL  MGY         5.00    (#    742:20  Unique         2.83, 5.01 A)
 &rst
  ixpk= 742, nxpk= 20, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   35 HIS  HD2          51 VAL  MGY         4.00    (#    743:20  Unique         3.24, 5.22 A)
 &rst
  ixpk= 743, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   35 HIS  HD2          51 VAL  MGY         3.00    (#    744:20  Unique         3.24, 5.22 A)
 &rst
  ixpk= 744, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  20-2:745    136 LEU  MDX         5.00    (#    745:20  Single Ambig)
 &rst
  ixpk= 745, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1994, 565,
 igr2=2142,2143,2144,2146,2147,2148,
 &end
#
#   82 LYS  HN           17 LEU  MDY         5.00    (#    746:20  Unique         2.69, 4.66 A)
 &rst
  ixpk= 746, nxpk= 20, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#   33 LEU  HN           62 LEU  MDX         4.00    (#    747:20  Unique         1.95, 4.20 A)
 &rst
  ixpk= 747, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   63 ASN  HN           62 LEU  MDX         3.00    (#    748:20  Unique         1.96, 4.03 A)
 &rst
  ixpk= 748, nxpk= 20, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#    0 AMB  20-2:749     62 LEU  MDX         5.00    (#    749:20  Single Ambig)
 &rst
  ixpk= 749, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1039, 511,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   62 LEU  HN           62 LEU  MDX         5.00    (#    750:20  Unique         3.09, 5.04 A)
 &rst
  ixpk= 750, nxpk= 20, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   92 GLN  HE2+         64 VAL  MGY         4.00    (#    751:20  Unique         1.86, 4.65 A)
 &rst
  ixpk= 751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1472,1473,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   92 GLN  HE2-         64 VAL  MGY         6.00    (#    752:20  Unique         1.86, 4.65 A)
 &rst
  ixpk= 752, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1472,1473,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#    0 AMB  20-2:753     64 VAL  MGY         5.00    (#    753:20  Single Ambig)
 &rst
  ixpk= 753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 972, 973, 894,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   64 VAL  HA           64 VAL  MGY         3.00    (#    755:20  Unique         2.22, 3.13 A)
 &rst
  ixpk= 755, nxpk= 20, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   17 LEU  HN           17 LEU  MDY         5.00    (#    756:20  Unique         1.96, 4.21 A)
 &rst
  ixpk= 756, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#    0 AMB  20-2:757      0 AMB  20-1:757    4.00    (#    757:20  Double Ambig)
 &rst
  ixpk= 757, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 240,1219,
 igr2=1536,1537,1538,1540,1541,1542,1228,1229,1230,1232,
      1233,1234,
 &end
#
#   32 THR  HA           62 LEU  MDX         6.00    (#    758:20  Unique         2.09, 4.55 A)
 &rst
  ixpk= 758, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   65 VAL  HN           64 VAL  MGY         3.00    (#    764:20  Unique         2.63, 4.52 A)
 &rst
  ixpk= 764, nxpk= 20, iat=1055,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   35 HIS  HD2          64 VAL  MGY         5.00    (#    765:20  Unique         3.61, 6.23 A)
 &rst
  ixpk= 765, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   88 HIS  HD2          84 THR  MG2         3.00    (#    767:20  Unique         3.13, 4.71 A)
 &rst
  ixpk= 767, nxpk= 20, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1355,1356,1357,
 &end
#
#  114 TYR  HN          128 ALA  MB          6.00    (#    768:20  Unique         3.91, 4.87 A)
 &rst
  ixpk= 768, nxpk= 20, iat=1788,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=2039,2040,2041,
 &end
#
#  128 ALA  HN          128 ALA  MB          4.00    (#    769:20  Unique         2.28, 3.24 A)
 &rst
  ixpk= 769, nxpk= 20, iat=2035,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=2039,2040,2041,
 &end
#
#    0 AMB  20-2:770    128 ALA  MB          3.00    (#    770:20  Single Ambig)
 &rst
  ixpk= 770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2045,1748,
 igr2=2039,2040,2041,
 &end
#
#  126 PHE  HE          128 ALA  MB          3.00    (#    772:20  Unique         1.99, 4.66 A)
 &rst
  ixpk= 772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2008,2012,
 igr2=2039,2040,2041,
 &end
#
#   92 GLN  HE2+         66 ALA  MB          5.00    (#    774:20  Unique         1.94, 3.54 A)
 &rst
  ixpk= 774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1472,1473,
 igr2=1075,1076,1077,
 &end
#
#   66 ALA  HN           66 ALA  MB          3.00    (#    775:20  Unique         2.22, 3.13 A)
 &rst
  ixpk= 775, nxpk= 20, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1075,1076,1077,
 &end
#
#   67 VAL  HN           66 ALA  MB          4.00    (#    776:20  Unique         2.54, 3.42 A)
 &rst
  ixpk= 776, nxpk= 20, iat=1081,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1075,1076,1077,
 &end
#
#   37 TRP  HE1          66 ALA  MB          3.00    (#    777:20  Unique         1.87, 3.37 A)
 &rst
  ixpk= 777, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1075,1076,1077,
 &end
#
#   37 TRP  HD1          66 ALA  MB          4.00    (#    779:20  Unique         1.80, 2.47 A)
 &rst
  ixpk= 779, nxpk= 20, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1075,1076,1077,
 &end
#
#   94 ILE  HA           66 ALA  MB          4.00    (#    781:20  Unique         2.66, 4.01 A)
 &rst
  ixpk= 781, nxpk= 20, iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1075,1076,1077,
 &end
#
#   33 LEU  HN           32 THR  MG2         4.00    (#    782:20  Unique         2.08, 3.26 A)
 &rst
  ixpk= 782, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 517, 518, 519,
 &end
#
#   32 THR  HA           32 THR  MG2         4.00    (#    783:20  Unique         2.34, 3.21 A)
 &rst
  ixpk= 783, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 517, 518, 519,
 &end
#
#    0 AMB  20-2:784     32 THR  MG2         4.00    (#    784:20  Single Ambig)
 &rst
  ixpk= 784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 511,1039, 117,
 igr2= 517, 518, 519,
 &end
#
#   63 ASN  HD2-         32 THR  MG2         4.00    (#    785:20  Unique         2.85, 5.02 A)
 &rst
  ixpk= 785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1034,1035,
 igr2= 517, 518, 519,
 &end
#
#   32 THR  HG1          32 THR  MG2         5.00    (#    786:20  Unique         2.40, 3.25 A)
 &rst
  ixpk= 786, nxpk= 20, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 517, 518, 519,
 &end
#
#  103 THR  HN          103 THR  MG2         4.00    (#    787:20  Unique         1.71, 2.98 A)
 &rst
  ixpk= 787, nxpk= 20, iat=1627,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1633,1634,1635,
 &end
#
#  108 ASN  HN          103 THR  MG2         4.00    (#    788:20  Unique         2.30, 3.74 A)
 &rst
  ixpk= 788, nxpk= 20, iat=1698,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1633,1634,1635,
 &end
#
#  143 VAL  HN          143 VAL  MGX         3.00    (#    789:20  Unique         2.01, 3.77 A)
 &rst
  ixpk= 789, nxpk= 20, iat=2267,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#  144 LEU  HN          143 VAL  MGX         4.00    (#    790:20  Unique         1.94, 4.11 A)
 &rst
  ixpk= 790, nxpk= 20, iat=2283,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#   64 VAL  HN           65 VAL  MGX         6.00    (#    791:20  Unique         3.41, 5.78 A)
 &rst
  ixpk= 791, nxpk= 20, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#    4 ARG  HN            3 LEU  MDY         4.00    (#    792:20  Unique         3.23, 5.36 A)
 &rst
  ixpk= 792, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    3 LEU  HN            3 LEU  MDY         4.00    (#    793:20  Unique         2.09, 3.97 A)
 &rst
  ixpk= 793, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#  120 THR  HN          120 THR  MG2         3.00    (#    794:20  Unique         2.28, 3.51 A)
 &rst
  ixpk= 794, nxpk= 20, iat=1900,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1906,1907,1908,
 &end
#
#  104 ASP  HN          103 THR  MG2         5.00    (#    795:20  Unique         4.02, 4.82 A)
 &rst
  ixpk= 795, nxpk= 20, iat=1641,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1633,1634,1635,
 &end
#
#  108 ASN  HD2+        103 THR  MG2         6.00    (#    796:20  Unique         2.96, 5.93 A)
 &rst
  ixpk= 796, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1707,1708,
 igr2=1633,1634,1635,
 &end
#
#   33 LEU  HN           64 VAL  MGX         6.00    (#    797:20  Unique         4.35, 5.85 A)
 &rst
  ixpk= 797, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   65 VAL  HN           64 VAL  MGX         4.00    (#    798:20  Unique         2.63, 4.52 A)
 &rst
  ixpk= 798, nxpk= 20, iat=1055,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   64 VAL  HN           64 VAL  MGX         4.00    (#    799:20  Unique         2.05, 3.91 A)
 &rst
  ixpk= 799, nxpk= 20, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   64 VAL  HA           64 VAL  MGX         4.00    (#    800:20  Unique         2.22, 3.13 A)
 &rst
  ixpk= 800, nxpk= 20, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#    0 AMB  20-2:801     65 VAL  MGX         3.00    (#    801:20  Single Ambig)
 &rst
  ixpk= 801, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1071,1055,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#  125 HIS  HN            3 LEU  MDY         6.00    (#    802:20  Unique         2.91, 5.29 A)
 &rst
  ixpk= 802, nxpk= 20, iat=1981,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#  126 PHE  HN            3 LEU  MDY         4.00    (#    803:20  Unique         2.30, 5.17 A)
 &rst
  ixpk= 803, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#  119 LYS  HN          143 VAL  MGY         6.00    (#    804:20  Unique         4.73, 6.65 A)
 &rst
  ixpk= 804, nxpk= 20, iat=1878,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#    0 AMB  20-2:805    143 VAL  MGY         4.00    (#    805:20  Single Ambig)
 &rst
  ixpk= 805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 511,1866,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#   26 LEU  HN           26 LEU  MDX         4.00    (#    807:20  Unique         2.73, 4.44 A)
 &rst
  ixpk= 807, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:808     26 LEU  MDX         4.00    (#    808:20  Single Ambig)
 &rst
  ixpk= 808, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1034,1035, 434,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   68 HIS  HN           67 VAL  MGY         4.00    (#    809:20  Unique         1.91, 4.31 A)
 &rst
  ixpk= 809, nxpk= 20, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#    0 AMB  20-2:810    147 THR  MG2         4.00    (#    810:20  Single Ambig)
 &rst
  ixpk= 810, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2327,2341,
 igr2=2333,2334,2335,
 &end
#
#   23 ARG  HN           22 THR  MG2         4.00    (#    811:20  Unique         3.09, 4.27 A)
 &rst
  ixpk= 811, nxpk= 20, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 351, 352, 353,
 &end
#
#   22 THR  HN           22 THR  MG2         3.00    (#    812:20  Unique         3.19, 4.01 A)
 &rst
  ixpk= 812, nxpk= 20, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 351, 352, 353,
 &end
#
#   92 GLN  HN           91 THR  MG2         5.00    (#    813:20  Unique         3.85, 4.65 A)
 &rst
  ixpk= 813, nxpk= 20, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1452,1453,1454,
 &end
#
#   89 ASP  HN           91 THR  MG2         6.00    (#    814:20  Unique         5.32, 6.38 A)
 &rst
  ixpk= 814, nxpk= 20, iat=1415,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1452,1453,1454,
 &end
#
#    0 AMB  20-2:815     91 THR  MG2         4.00    (#    815:20  Single Ambig)
 &rst
  ixpk= 815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 302, 303, 846,
 igr2=1452,1453,1454,
 &end
#
#   91 THR  HN           91 THR  MG2         3.00    (#    816:20  Unique         2.57, 3.76 A)
 &rst
  ixpk= 816, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1452,1453,1454,
 &end
#
#  116 VAL  HN          116 VAL  MGX         3.00    (#    817:20  Unique         2.22, 4.04 A)
 &rst
  ixpk= 817, nxpk= 20, iat=1830,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1836,1837,1838,1840,1841,1842,
 &end
#
#  116 VAL  HA            0 AMB  20-1:818    3.00    (#    818:20  Single Ambig)
 &rst
  ixpk= 818, nxpk= 20, iat=1832,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
      1841,1842,
 &end
#
#  125 HIS  HN            0 AMB  20-1:819    6.00    (#    819:20  Single Ambig)
 &rst
  ixpk= 819, nxpk= 20, iat=1981,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr2=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
      1841,1842,
 &end
#
#   22 THR  HN           21 VAL  MGX         4.00    (#    820:20  Unique         1.92, 3.78 A)
 &rst
  ixpk= 820, nxpk= 20, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   21 VAL  HN           21 VAL  MGX         6.00    (#    821:20  Unique         2.03, 3.74 A)
 &rst
  ixpk= 821, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   63 ASN  HD2+         26 LEU  MDX         4.00    (#    822:20  Unique         1.93, 5.96 A)
 &rst
  ixpk= 822, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1034,1035,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#  125 HIS  HN          116 VAL  MGX         5.00    (#    824:20  Unique         1.90, 4.85 A)
 &rst
  ixpk= 824, nxpk= 20, iat=1981,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1836,1837,1838,1840,1841,1842,
 &end
#
#  126 PHE  HN            0 AMB  20-1:825    6.00    (#    825:20  Single Ambig)
 &rst
  ixpk= 825, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr2=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
      1841,1842,
 &end
#
#  117 PHE  HN          116 VAL  MGY         4.00    (#    826:20  Unique         2.34, 4.31 A)
 &rst
  ixpk= 826, nxpk= 20, iat=1846,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1836,1837,1838,1840,1841,1842,
 &end
#
#  116 VAL  HA          116 VAL  MGY         3.00    (#    827:20  Unique         2.02, 3.18 A)
 &rst
  ixpk= 827, nxpk= 20, iat=1832,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1836,1837,1838,1840,1841,1842,
 &end
#
#   68 HIS  HN           96 VAL  MGY         4.00    (#    828:20  Unique         2.12, 4.42 A)
 &rst
  ixpk= 828, nxpk= 20, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1536,1537,1538,1540,1541,1542,
 &end
#
#   96 VAL  HN           96 VAL  MGY         4.00    (#    829:20  Unique         1.92, 3.77 A)
 &rst
  ixpk= 829, nxpk= 20, iat=1530,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1536,1537,1538,1540,1541,1542,
 &end
#
#  140 VAL  HN          140 VAL  MGY         4.00    (#    830:20  Unique         1.75, 3.73 A)
 &rst
  ixpk= 830, nxpk= 20, iat=2213,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  141 ASN  HN          140 VAL  MGY         4.00    (#    831:20  Unique         1.84, 4.07 A)
 &rst
  ixpk= 831, nxpk= 20, iat=2229,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#   22 THR  HN           21 VAL  MGY         5.00    (#    832:20  Unique         1.92, 3.78 A)
 &rst
  ixpk= 832, nxpk= 20, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   11 THR  HN           11 THR  MG2         4.00    (#    834:20  Unique         1.93, 3.03 A)
 &rst
  ixpk= 834, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 188, 189, 190,
 &end
#
#   11 THR  HA           11 THR  MG2         4.00    (#    835:20  Unique         3.56, 3.94 A)
 &rst
  ixpk= 835, nxpk= 20, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 188, 189, 190,
 &end
#
#   95 PHE  HD           65 VAL  MGY         3.00    (#    836:20  Unique         2.95, 7.28 A)
 &rst
  ixpk= 836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1518,1526,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#   21 VAL  HN           21 VAL  MGY         4.00    (#    838:20  Unique         2.03, 3.74 A)
 &rst
  ixpk= 838, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  20-2:839     65 VAL  MGY         3.00    (#    839:20  Single Ambig)
 &rst
  ixpk= 839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1071,1055,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#    0 AMB  20-2:841      0 AMB  20-1:841    5.00    (#    841:20  Double Ambig)
 &rst
  ixpk= 841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 743,1641,
 igr2= 762, 763, 764,1602,1603,1604,
 &end
#
#   47 ALA  HN           47 ALA  MB          3.00    (#    842:20  Unique         2.16, 3.04 A)
 &rst
  ixpk= 842, nxpk= 20, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 762, 763, 764,
 &end
#
#   39 ILE  HN           39 ILE  QG2         4.00    (#    843:20  Unique         1.94, 2.70 A)
 &rst
  ixpk= 843, nxpk= 20, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 641, 642, 643,
 &end
#
#   51 VAL  HN           51 VAL  MGX         4.00    (#    847:20  Unique         1.90, 3.78 A)
 &rst
  ixpk= 847, nxpk= 20, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   55 ARG  HE           51 VAL  MGX         6.00    (#    848:20  Unique         2.37, 8.61 A)
 &rst
  ixpk= 848, nxpk= 20, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  20-2:849    101 ALA  MB          3.00    (#    849:20  Single Ambig)
 &rst
  ixpk= 849, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=1617,1618,1619,1621,1622,1623,1608,
 igr2=1602,1603,1604,
 &end
#
#  101 ALA  HN          101 ALA  MB          3.00    (#    850:20  Unique         1.97, 2.81 A)
 &rst
  ixpk= 850, nxpk= 20, iat=1598,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1602,1603,1604,
 &end
#
#   52 ASN  HN           51 VAL  MGX         5.00    (#    851:20  Unique         2.45, 4.81 A)
 &rst
  ixpk= 851, nxpk= 20, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   92 GLN  HE2-         51 VAL  MGX         5.00    (#    852:20  Unique         1.91, 4.08 A)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1472,1473,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   67 VAL  HN           67 VAL  MGX         5.00    (#    853:20  Unique         1.93, 4.11 A)
 &rst
  ixpk= 853, nxpk= 20, iat=1081,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#  144 LEU  HN          145 ALA  MB          5.00    (#    855:20  Unique         4.10, 5.16 A)
 &rst
  ixpk= 855, nxpk= 20, iat=2283,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=2306,2307,2308,
 &end
#
#  145 ALA  HN          145 ALA  MB          3.00    (#    856:20  Unique         2.08, 2.87 A)
 &rst
  ixpk= 856, nxpk= 20, iat=2302,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=2306,2307,2308,
 &end
#
#   95 PHE  HN           94 ILE  QG2         4.00    (#    857:20  Unique         1.90, 3.42 A)
 &rst
  ixpk= 857, nxpk= 20, iat=1510,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1497,1498,1499,
 &end
#
#    0 AMB  20-2:858     94 ILE  QG2         4.00    (#    858:20  Single Ambig)
 &rst
  ixpk= 858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1097,1071,
 igr2=1497,1498,1499,
 &end
#
#   94 ILE  HA           94 ILE  QG2         4.00    (#    859:20  Unique         2.12, 2.98 A)
 &rst
  ixpk= 859, nxpk= 20, iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1497,1498,1499,
 &end
#
#   37 TRP  HE1          94 ILE  QG2         3.00    (#    860:20  Unique         1.93, 5.77 A)
 &rst
  ixpk= 860, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1497,1498,1499,
 &end
#
#  111 VAL  HN          111 VAL  MGY         3.00    (#    863:20  Unique         1.85, 3.95 A)
 &rst
  ixpk= 863, nxpk= 20, iat=1748,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1754,1755,1756,1758,1759,1760,
 &end
#
#  106 PHE  HN          105 ALA  MB          4.00    (#    864:20  Unique         2.21, 3.22 A)
 &rst
  ixpk= 864, nxpk= 20, iat=1663,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1657,1658,1659,
 &end
#
#  105 ALA  HN          105 ALA  MB          3.00    (#    865:20  Unique         2.17, 2.99 A)
 &rst
  ixpk= 865, nxpk= 20, iat=1653,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1657,1658,1659,
 &end
#
#    0 AMB  20-2:866    133 MET  ME          4.00    (#    866:20  Single Ambig)
 &rst
  ixpk= 866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2133, 816,
 igr2=2088,2089,2090,
 &end
#
#   85 ALA  HN           85 ALA  MB          3.00    (#    870:20  Unique         1.98, 2.81 A)
 &rst
  ixpk= 870, nxpk= 20, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1367,1368,1369,
 &end
#
#   54 PHE  HE          133 MET  ME          5.00    (#    871:20  Unique         1.89, 4.55 A)
 &rst
  ixpk= 871, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 871, 875,
 igr2=2088,2089,2090,
 &end
#
#    0 AMB  20-2:872      1 MET  ME          4.00    (#    872:20  Single Ambig)
 &rst
  ixpk= 872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1673,1677,1737,1742,
 igr2=  15,  16,  17,
 &end
#
#   86 ALA  HN           86 ALA  MB          3.00    (#    873:20  Unique         2.02, 2.82 A)
 &rst
  ixpk= 873, nxpk= 20, iat=1373,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1377,1378,1379,
 &end
#
#   89 ASP  HN           86 ALA  MB          5.00    (#    874:20  Unique         5.80, 6.60 A)
 &rst
  ixpk= 874, nxpk= 20, iat=1415,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1377,1378,1379,
 &end
#
#    5 GLN  HE2-          1 MET  ME          5.00    (#    875:20  Unique         1.83, 3.64 A)
 &rst
  ixpk= 875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  98,  99,
 igr2=  15,  16,  17,
 &end
#
#    5 GLN  HE2+          1 MET  ME          3.00    (#    876:20  Unique         1.83, 3.64 A)
 &rst
  ixpk= 876, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  98,  99,
 igr2=  15,  16,  17,
 &end
#
#   35 HIS  HN           34 ILE  QG2         4.00    (#    877:20  Unique         2.22, 3.67 A)
 &rst
  ixpk= 877, nxpk= 20, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 550, 551, 552,
 &end
#
#   34 ILE  HA           34 ILE  QG2         4.00    (#    879:20  Unique         2.10, 2.94 A)
 &rst
  ixpk= 879, nxpk= 20, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 550, 551, 552,
 &end
#
#   36 PHE  HD           34 ILE  QG2         5.00    (#    880:20  Unique         3.21, 6.56 A)
 &rst
  ixpk= 880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 588, 596,
 igr2= 550, 551, 552,
 &end
#
#   92 GLN  HN           90 ILE  QG2         5.00    (#    881:20  Unique         3.63, 5.73 A)
 &rst
  ixpk= 881, nxpk= 20, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1433,1434,1435,
 &end
#
#   90 ILE  HN           90 ILE  QG2         5.00    (#    882:20  Unique         2.14, 3.45 A)
 &rst
  ixpk= 882, nxpk= 20, iat=1427,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1433,1434,1435,
 &end
#
#   92 GLN  HE2-         90 ILE  QG2         6.00    (#    883:20  Unique         1.99, 6.06 A)
 &rst
  ixpk= 883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1472,1473,
 igr2=1433,1434,1435,
 &end
#
#   82 LYS  HN           81 ILE  QG2         4.00    (#    885:20  Unique         2.97, 4.03 A)
 &rst
  ixpk= 885, nxpk= 20, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1299,1300,1301,
 &end
#
#   28 GLY  HN           27 ILE  QG2         4.00    (#    887:20  Unique         1.85, 2.66 A)
 &rst
  ixpk= 887, nxpk= 20, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 440, 441, 442,
 &end
#
#    0 AMB  20-2:888     27 ILE  QG2         4.00    (#    888:20  Single Ambig)
 &rst
  ixpk= 888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 434,1034,1035,
 igr2= 440, 441, 442,
 &end
#
#   81 ILE  HN           81 ILE  QG2         5.00    (#    889:20  Unique         4.21, 4.46 A)
 &rst
  ixpk= 889, nxpk= 20, iat=1293,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1299,1300,1301,
 &end
#
#   18 ASN  HD2+         94 ILE  QD1         4.00    (#    893:20  Unique         1.92, 3.97 A)
 &rst
  ixpk= 893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 302, 303,
 igr2=1504,1505,1506,
 &end
#
#   37 TRP  HZ2          94 ILE  QD1         4.00    (#    894:20  Unique         2.00, 7.90 A)
 &rst
  ixpk= 894, nxpk= 20, iat= 613,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1504,1505,1506,
 &end
#
#   18 ASN  HD2-         94 ILE  QD1         4.00    (#    895:20  Unique         1.92, 3.97 A)
 &rst
  ixpk= 895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 302, 303,
 igr2=1504,1505,1506,
 &end
#
#   39 ILE  HN           39 ILE  QD1         4.00    (#    896:20  Unique         4.11, 4.65 A)
 &rst
  ixpk= 896, nxpk= 20, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 648, 649, 650,
 &end
#
#    7 MET  HN            7 MET  ME          4.00    (#    897:20  Unique         1.81, 3.27 A)
 &rst
  ixpk= 897, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 128, 129, 130,
 &end
#
#  117 PHE  HE            7 MET  ME          4.00    (#    898:20  Unique         2.16, 4.88 A)
 &rst
  ixpk= 898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1856,1860,
 igr2= 128, 129, 130,
 &end
#
#  117 PHE  HD            7 MET  ME          4.00    (#    899:20  Unique         1.98, 3.96 A)
 &rst
  ixpk= 899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1854,1862,
 igr2= 128, 129, 130,
 &end
#
#   32 THR  HG1           7 MET  ME          5.00    (#    900:20  Unique         3.28, 4.91 A)
 &rst
  ixpk= 900, nxpk= 20, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 128, 129, 130,
 &end
#
#   81 ILE  HN           39 ILE  QD1         6.00    (#    901:20  Unique         3.30, 4.50 A)
 &rst
  ixpk= 901, nxpk= 20, iat=1293,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 648, 649, 650,
 &end
#
#    0 AMB  20-2:902     39 ILE  QD1         5.00    (#    902:20  Single Ambig)
 &rst
  ixpk= 902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1207,1238, 654,
 igr2= 648, 649, 650,
 &end
#
#   81 ILE  HN           81 ILE  QD1         4.00    (#    903:20  Unique         2.22, 3.81 A)
 &rst
  ixpk= 903, nxpk= 20, iat=1293,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1306,1307,1308,
 &end
#
#   28 GLY  HN           27 ILE  QD1         6.00    (#    906:20  Unique         3.83, 5.62 A)
 &rst
  ixpk= 906, nxpk= 20, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 447, 448, 449,
 &end
#
#  121 GLY  HN           27 ILE  QD1         5.00    (#    907:20  Unique         2.74, 4.16 A)
 &rst
  ixpk= 907, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 447, 448, 449,
 &end
#
#    0 AMB  20-2:908     27 ILE  QD1         4.00    (#    908:20  Single Ambig)
 &rst
  ixpk= 908, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 434,1856,1860,
 igr2= 447, 448, 449,
 &end
#
#   37 TRP  HZ2          90 ILE  QD1         6.00    (#    909:20  Unique         1.95, 8.07 A)
 &rst
  ixpk= 909, nxpk= 20, iat= 613,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1440,1441,1442,
 &end
#
#  117 PHE  HE           34 ILE  QD1         4.00    (#    910:20  Unique         2.02, 4.19 A)
 &rst
  ixpk= 910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1856,1860,
 igr2= 557, 558, 559,
 &end
#
#  117 PHE  HD           34 ILE  QD1         4.00    (#    911:20  Unique         2.13, 4.86 A)
 &rst
  ixpk= 911, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1854,1862,
 igr2= 557, 558, 559,
 &end
#
#    0 AMB  20-2:914     34 ILE  QD1         6.00    (#    914:20  Single Ambig)
 &rst
  ixpk= 914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 527, 546,
 igr2= 557, 558, 559,
 &end
#
#    7 MET  ME           32 THR  HB          5.00    (#    958:20  Unique         2.00, 3.58 A)
 &rst
  ixpk= 958, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 128, 129, 130,
 &end
#
#   32 THR  MG2          32 THR  HB          4.00    (#    959:20  Unique         2.29, 2.69 A)
 &rst
  ixpk= 959, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 517, 518, 519,
 &end
#
#   22 THR  MG2          22 THR  HB          3.00    (#    966:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 966, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 351, 352, 353,
 &end
#
#    0 AMB  20-2:968     22 THR  HB          5.00    (#    968:20  Single Ambig)
 &rst
  ixpk= 968, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 363, 364, 422,
 &end
#
#    0 AMB  20-2:973     22 THR  HB          6.00    (#    973:20  Single Ambig)
 &rst
  ixpk= 973, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 335, 336, 337, 339, 340, 341, 447, 448, 449,
 &end
#
#   11 THR  MG2          11 THR  HB          3.00    (#    983:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 983, nxpk= 20, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 188, 189, 190,
 &end
#
#  147 THR  MG2         147 THR  HB          3.00    (#    985:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 985, nxpk= 20, iat=  -1,2331, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2333,2334,2335,
 &end
#
#  120 THR  MG2         120 THR  HB          3.00    (#    988:20  Unique         2.29, 2.69 A)
 &rst
  ixpk= 988, nxpk= 20, iat=  -1,1904, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1906,1907,1908,
 &end
#
#  120 THR  HA          120 THR  HB          3.00    (#    990:20  Unique         2.51, 2.72 A)
 &rst
  ixpk= 990, nxpk= 20, iat=1902,1904, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 THR  HA           91 THR  HB          3.00    (#    993:20  Unique         2.43, 2.54 A)
 &rst
  ixpk= 993, nxpk= 20, iat=1448,1450, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 THR  MG2          91 THR  HB          3.00    (#    994:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 994, nxpk= 20, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1452,1453,1454,
 &end
#
#  103 THR  HB          103 THR  HA          4.00    (#    995:20  Unique         2.44, 2.59 A)
 &rst
  ixpk= 995, nxpk= 20, iat=1631,1629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  103 THR  MG2         103 THR  HB          4.00    (#    996:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 996, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1633,1634,1635,
 &end
#
#  103 THR  MG2         103 THR  HA          4.00    (#    997:20  Unique         2.27, 3.16 A)
 &rst
  ixpk= 997, nxpk= 20, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1633,1634,1635,
 &end
#
#   84 THR  MG2          84 THR  HB          3.00    (#    998:20  Unique         2.34, 2.69 A)
 &rst
  ixpk= 998, nxpk= 20, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1355,1356,1357,
 &end
#
#   84 THR  HB           84 THR  HA          4.00    (#    999:20  Unique         2.96, 3.01 A)
 &rst
  ixpk= 999, nxpk= 20, iat=1353,1351, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 GLU  HB+          84 THR  HA          4.00    (#   1000:20  Unique         2.10, 3.43 A)
 &rst
  ixpk= 1000, nxpk= 20, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1387,1388,
 &end
#
#   87 GLU  HB-          84 THR  HA          4.00    (#   1001:20  Unique         2.10, 3.43 A)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1387,1388,
 &end
#
#   84 THR  MG2          84 THR  HA          3.00    (#   1002:20  Unique         2.58, 3.40 A)
 &rst
  ixpk= 1002, nxpk= 20, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1355,1356,1357,
 &end
#
#  143 VAL  HB          140 VAL  HA          4.00    (#   1004:20  Unique         3.11, 3.81 A)
 &rst
  ixpk= 1004, nxpk= 20, iat=2271,2215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1005   140 VAL  HA          3.00    (#   1005:20  Single Ambig)
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279, 534, 535, 536, 538, 539, 540,
 &end
#
#  116 VAL  MGY         140 VAL  HA          3.00    (#   1006:20  Unique         2.49, 4.63 A)
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1836,1837,1838,1840,1841,1842,
 &end
#
#  140 VAL  MGX         140 VAL  HA          3.00    (#   1007:20  Unique         2.18, 3.18 A)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#  140 VAL  MGY         140 VAL  HA          3.00    (#   1008:20  Unique         2.18, 3.18 A)
 &rst
  ixpk= 1008, nxpk= 20, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#  140 VAL  HB          140 VAL  HA          4.00    (#   1009:20  Unique         2.32, 2.94 A)
 &rst
  ixpk= 1009, nxpk= 20, iat=2217,2215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 VAL  HB           51 VAL  HA          4.00    (#   1011:20  Unique         2.73, 2.98 A)
 &rst
  ixpk= 1011, nxpk= 20, iat= 820, 818, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 VAL  MGY          51 VAL  HA          3.00    (#   1012:20  Unique         1.98, 3.15 A)
 &rst
  ixpk= 1012, nxpk= 20, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   51 VAL  MGX          51 VAL  HA          3.00    (#   1013:20  Unique         1.98, 3.15 A)
 &rst
  ixpk= 1013, nxpk= 20, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   52 ASN  HB+          49 PRO  HA          3.00    (#   1014:20  Unique         2.78, 3.91 A)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 836, 837,
 &end
#
#   49 PRO  HB-          49 PRO  HA          3.00    (#   1015:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1015, nxpk= 20, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 792, 793,
 &end
#
#    0 AMB  20-2:1016    49 PRO  HA          4.00    (#   1016:20  Single Ambig)
 &rst
  ixpk= 1016, nxpk= 20, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 789, 790, 806, 807,
 &end
#
#    0 AMB  20-2:1017    49 PRO  HA          4.00    (#   1017:20  Single Ambig)
 &rst
  ixpk= 1017, nxpk= 20, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 789, 790, 820,
 &end
#
#   49 PRO  HB+          49 PRO  HA          4.00    (#   1018:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1018, nxpk= 20, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 792, 793,
 &end
#
#    0 AMB  20-2:1019    38 SER  HB-         5.00    (#   1019:20  Single Ambig)
 &rst
  ixpk= 1019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 626, 658, 659,
 igr2= 628, 629,
 &end
#
#    0 AMB  20-2:1021     0 AMB  20-1:1021   5.00    (#   1021:20  Double Ambig)
 &rst
  ixpk= 1021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 626, 658, 659,
 igr2= 628, 629, 628, 629,
 &end
#
#    0 AMB  20-2:1023     0 AMB  20-1:1023   4.00    (#   1023:20  Double Ambig)
 &rst
  ixpk= 1023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 648, 649, 650,1754,1755,1756,1758,1759,1760,
 igr2=1295, 628, 629,
 &end
#
#   39 ILE  HB           39 ILE  HA          4.00    (#   1025:20  Unique         2.24, 2.30 A)
 &rst
  ixpk= 1025, nxpk= 20, iat= 639, 637, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1026     0 AMB  20-1:1026   4.00    (#   1026:20  Double Ambig)
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 645, 646,1355,1356,1357, 728, 729,
 igr2= 637,1173,1174,
 &end
#
#   39 ILE  QG2          39 ILE  HA          4.00    (#   1027:20  Unique         2.45, 3.28 A)
 &rst
  ixpk= 1027, nxpk= 20, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 641, 642, 643,
 &end
#
#    0 AMB  20-2:1028     0 AMB  20-1:1028   4.00    (#   1028:20  Double Ambig)
 &rst
  ixpk= 1028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1278,1279, 645, 646,
 igr2=1295, 628, 629,
 &end
#
#   81 ILE  HG1+         81 ILE  HA          5.00    (#   1029:20  Unique         2.23, 2.74 A)
 &rst
  ixpk= 1029, nxpk= 20, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1303,1304,
 &end
#
#   39 ILE  QG2          81 ILE  HA          4.00    (#   1030:20  Unique         2.16, 3.31 A)
 &rst
  ixpk= 1030, nxpk= 20, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 641, 642, 643,
 &end
#
#   81 ILE  QG2          81 ILE  HA          4.00    (#   1031:20  Unique         2.32, 3.17 A)
 &rst
  ixpk= 1031, nxpk= 20, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1299,1300,1301,
 &end
#
#   81 ILE  HG1-         81 ILE  HA          4.00    (#   1032:20  Unique         2.23, 2.74 A)
 &rst
  ixpk= 1032, nxpk= 20, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1303,1304,
 &end
#
#   72 SER  HA           72 SER  HB-         4.00    (#   1033:20  Unique         2.42, 2.85 A)
 &rst
  ixpk= 1033, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1173,1174,
 &end
#
#   72 SER  HA           72 SER  HB+         4.00    (#   1035:20  Unique         2.42, 2.85 A)
 &rst
  ixpk= 1035, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1173,1174,
 &end
#
#  146 GLU  HG+         143 VAL  HA          5.00    (#   1037:20  Unique         1.98, 2.94 A)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,2269, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2319,2320,
 &end
#
#  146 GLU  HG-         143 VAL  HA          4.00    (#   1038:20  Unique         1.98, 2.94 A)
 &rst
  ixpk= 1038, nxpk= 20, iat=  -1,2269, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2319,2320,
 &end
#
#    0 AMB  20-2:1039   143 VAL  HA          3.00    (#   1039:20  Single Ambig)
 &rst
  ixpk= 1039, nxpk= 20, iat=  -1,2269, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2316,2317,2271,
 &end
#
#    0 AMB  20-2:1040   143 VAL  HA          3.00    (#   1040:20  Single Ambig)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,2269, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279,
 &end
#
#   78 PRO  HB-          78 PRO  HA          3.00    (#   1041:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1041, nxpk= 20, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1257,1258,
 &end
#
#   78 PRO  HB+          78 PRO  HA          3.00    (#   1042:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1042, nxpk= 20, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1257,1258,
 &end
#
#   81 ILE  HB           78 PRO  HA          3.00    (#   1043:20  Unique         2.24, 2.50 A)
 &rst
  ixpk= 1043, nxpk= 20, iat=1297,1260, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   81 ILE  QG2          78 PRO  HA          5.00    (#   1044:20  Unique         3.92, 4.83 A)
 &rst
  ixpk= 1044, nxpk= 20, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1299,1300,1301,
 &end
#
#   81 ILE  QD1          78 PRO  HA          3.00    (#   1045:20  Unique         1.91, 3.38 A)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1306,1307,1308,
 &end
#
#   96 VAL  MGX          96 VAL  HA          4.00    (#   1046:20  Unique         2.09, 3.27 A)
 &rst
  ixpk= 1046, nxpk= 20, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1536,1537,1538,1540,1541,1542,
 &end
#
#   96 VAL  MGY          96 VAL  HA          4.00    (#   1047:20  Unique         2.09, 3.27 A)
 &rst
  ixpk= 1047, nxpk= 20, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1536,1537,1538,1540,1541,1542,
 &end
#
#  131 SER  HA          131 SER  HB-         3.00    (#   1050:20  Unique         2.31, 2.76 A)
 &rst
  ixpk= 1050, nxpk= 20, iat=2061,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2063,2064,
 &end
#
#  131 SER  HA          131 SER  HB+         3.00    (#   1056:20  Unique         2.31, 2.76 A)
 &rst
  ixpk= 1056, nxpk= 20, iat=2061,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2063,2064,
 &end
#
#   75 ASP  HB+          70 PRO  HA          4.00    (#   1061:20  Unique         1.92, 2.66 A)
 &rst
  ixpk= 1061, nxpk= 20, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1211,1212,
 &end
#
#   70 PRO  HB-          70 PRO  HA          4.00    (#   1062:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1062, nxpk= 20, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1138,1139,
 &end
#
#   75 ASP  HB-          70 PRO  HA          5.00    (#   1063:20  Unique         1.92, 2.66 A)
 &rst
  ixpk= 1063, nxpk= 20, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1211,1212,
 &end
#
#    0 AMB  20-2:1064    31 PRO  HA          6.00    (#   1064:20  Single Ambig)
 &rst
  ixpk= 1064, nxpk= 20, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1015,1016,1017,1019,1020,1021,2292,2293,2294,2296,
      2297,2298,
 &end
#
#  119 LYS  HA           31 PRO  HA          4.00    (#   1065:20  Unique         1.95, 2.41 A)
 &rst
  ixpk= 1065, nxpk= 20, iat=1880, 507, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   31 PRO  HB-          31 PRO  HA          3.00    (#   1066:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1066, nxpk= 20, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 504, 505,
 &end
#
#   31 PRO  HB+          31 PRO  HA          3.00    (#   1067:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1067, nxpk= 20, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 504, 505,
 &end
#
#    8 PRO  HB-           8 PRO  HA          3.00    (#   1068:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 141, 142,
 &end
#
#    8 PRO  HB+           8 PRO  HA          3.00    (#   1069:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 141, 142,
 &end
#
#    8 PRO  HG-           8 PRO  HA          4.00    (#   1070:20  Unique         3.88, 3.93 A)
 &rst
  ixpk= 1070, nxpk= 20, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 138, 139,
 &end
#
#   40 SER  HA           40 SER  HB+         4.00    (#   1074:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 1074, nxpk= 20, iat= 656,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 658, 659,
 &end
#
#  147 THR  MG2         147 THR  HA          3.00    (#   1077:20  Unique         2.75, 3.74 A)
 &rst
  ixpk= 1077, nxpk= 20, iat=  -1,2329, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2333,2334,2335,
 &end
#
#   91 THR  HB           91 THR  HA          3.00    (#   1082:20  Unique         2.43, 2.54 A)
 &rst
  ixpk= 1082, nxpk= 20, iat=1450,1448, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 THR  MG2          91 THR  HA          3.00    (#   1083:20  Unique         2.29, 3.16 A)
 &rst
  ixpk= 1083, nxpk= 20, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1452,1453,1454,
 &end
#
#   27 ILE  QG2         120 THR  HA          4.00    (#   1086:20  Unique         3.21, 3.81 A)
 &rst
  ixpk= 1086, nxpk= 20, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 440, 441, 442,
 &end
#
#  120 THR  HB          120 THR  HA          3.00    (#   1087:20  Unique         2.51, 2.72 A)
 &rst
  ixpk= 1087, nxpk= 20, iat=1904,1902, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  120 THR  MG2         120 THR  HA          4.00    (#   1088:20  Unique         3.40, 3.83 A)
 &rst
  ixpk= 1088, nxpk= 20, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1906,1907,1908,
 &end
#
#   65 VAL  HB           65 VAL  HA          3.00    (#   1089:20  Unique         2.25, 2.31 A)
 &rst
  ixpk= 1089, nxpk= 20, iat=1059,1057, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1090    65 VAL  HA          3.00    (#   1090:20  Single Ambig)
 &rst
  ixpk= 1090, nxpk= 20, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1061,1062,1063,1065,1066,1067,1061,1062,1063,1065,
      1066,1067,
 &end
#
#    0 AMB  20-2:1095    98 SER  HA          5.00    (#   1095:20  Single Ambig)
 &rst
  ixpk= 1095, nxpk= 20, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1550,1551,1534,
 &end
#
#   90 ILE  QG2          90 ILE  HA          4.00    (#   1099:20  Unique         1.98, 2.92 A)
 &rst
  ixpk= 1099, nxpk= 20, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1433,1434,1435,
 &end
#
#   42 HIS  HB-          42 HIS  HA          3.00    (#   1100:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 1100, nxpk= 20, iat=  -1, 677, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 679, 680,
 &end
#
#   42 HIS  HB+          42 HIS  HA          4.00    (#   1101:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 1101, nxpk= 20, iat=  -1, 677, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 679, 680,
 &end
#
#   45 LYS  HD+          42 HIS  HA          3.00    (#   1103:20  Unique         1.97, 4.08 A)
 &rst
  ixpk= 1103, nxpk= 20, iat=  -1, 677, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 731, 732,
 &end
#
#   67 VAL  MGX          67 VAL  HA          4.00    (#   1104:20  Unique         2.16, 3.20 A)
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1087,1088,1089,1091,1092,1093,
 &end
#
#   67 VAL  MGY          67 VAL  HA          4.00    (#   1105:20  Unique         2.16, 3.20 A)
 &rst
  ixpk= 1105, nxpk= 20, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1087,1088,1089,1091,1092,1093,
 &end
#
#    0 AMB  20-2:1106    27 ILE  HA          3.00    (#   1106:20  Single Ambig)
 &rst
  ixpk= 1106, nxpk= 20, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 438, 419, 420,
 &end
#
#    0 AMB  20-2:1107    27 ILE  HA          5.00    (#   1107:20  Single Ambig)
 &rst
  ixpk= 1107, nxpk= 20, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 455, 456,1916,1917,
 &end
#
#   27 ILE  HG1-         27 ILE  HA          5.00    (#   1108:20  Unique         2.46, 2.90 A)
 &rst
  ixpk= 1108, nxpk= 20, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 444, 445,
 &end
#
#   27 ILE  HG1+         27 ILE  HA          4.00    (#   1109:20  Unique         2.46, 2.90 A)
 &rst
  ixpk= 1109, nxpk= 20, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 444, 445,
 &end
#
#   27 ILE  QG2          27 ILE  HA          3.00    (#   1110:20  Unique         2.17, 3.04 A)
 &rst
  ixpk= 1110, nxpk= 20, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 440, 441, 442,
 &end
#
#   82 LYS  HB-          82 LYS  HA          3.00    (#   1112:20  Unique         2.26, 2.70 A)
 &rst
  ixpk= 1112, nxpk= 20, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1316,1317,
 &end
#
#    0 AMB  20-2:1113     0 AMB  20-1:1113   3.00    (#   1113:20  Double Ambig)
 &rst
  ixpk= 1113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1319,1320, 366, 367,
 igr2=1314, 361,
 &end
#
#    0 AMB  20-2:1114     0 AMB  20-1:1114   3.00    (#   1114:20  Double Ambig)
 &rst
  ixpk= 1114, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 422, 363, 364, 278, 279,
 igr2= 361,1314,
 &end
#
#    0 AMB  20-2:1115     0 AMB  20-1:1115   3.00    (#   1115:20  Double Ambig)
 &rst
  ixpk= 1115, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 283, 284, 285, 287, 288, 289, 424, 425, 426, 428,
       429, 430,
 igr2=1314, 361,
 &end
#
#   48 MET  HB-          45 LYS  HA          4.00    (#   1116:20  Unique         1.96, 3.62 A)
 &rst
  ixpk= 1116, nxpk= 20, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 772, 773,
 &end
#
#   45 LYS  HB+          45 LYS  HA          4.00    (#   1117:20  Unique         2.30, 2.77 A)
 &rst
  ixpk= 1117, nxpk= 20, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 725, 726,
 &end
#
#   45 LYS  HD+          45 LYS  HA          4.00    (#   1118:20  Unique         2.13, 2.82 A)
 &rst
  ixpk= 1118, nxpk= 20, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 731, 732,
 &end
#
#   45 LYS  HG+          45 LYS  HA          4.00    (#   1119:20  Unique         2.14, 3.16 A)
 &rst
  ixpk= 1119, nxpk= 20, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 728, 729,
 &end
#
#    0 AMB  20-2:1121   137 GLU  HA          3.00    (#   1121:20  Single Ambig)
 &rst
  ixpk= 1121, nxpk= 20, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2217,2081,2082,
 &end
#
#  140 VAL  MGX         137 GLU  HA          4.00    (#   1122:20  Unique         1.93, 4.50 A)
 &rst
  ixpk= 1122, nxpk= 20, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  20-2:1123   137 GLU  HA          3.00    (#   1123:20  Single Ambig)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2159,2160,2156,2157,
 &end
#
#   54 PHE  HB-          54 PHE  HA          4.00    (#   1124:20  Unique         2.42, 2.83 A)
 &rst
  ixpk= 1124, nxpk= 20, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 865, 866,
 &end
#
#   54 PHE  HB+          54 PHE  HA          3.00    (#   1125:20  Unique         2.42, 2.83 A)
 &rst
  ixpk= 1125, nxpk= 20, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 865, 866,
 &end
#
#   57 LYS  HB-          54 PHE  HA          5.00    (#   1126:20  Unique         1.91, 2.85 A)
 &rst
  ixpk= 1126, nxpk= 20, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 921, 922,
 &end
#
#   57 LYS  HG+          54 PHE  HA          5.00    (#   1127:20  Unique         1.94, 3.56 A)
 &rst
  ixpk= 1127, nxpk= 20, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 924, 925,
 &end
#
#    0 AMB  20-2:1128    24 GLU  HA          3.00    (#   1128:20  Single Ambig)
 &rst
  ixpk= 1128, nxpk= 20, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 390, 391, 405, 406,
 &end
#
#   24 GLU  HB+          24 GLU  HA          3.00    (#   1129:20  Unique         2.33, 2.47 A)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 387, 388,
 &end
#
#   21 VAL  HB           21 VAL  HA          3.00    (#   1131:20  Unique         2.29, 2.50 A)
 &rst
  ixpk= 1131, nxpk= 20, iat= 333, 331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   21 VAL  MGX          21 VAL  HA          3.00    (#   1132:20  Unique         2.08, 3.46 A)
 &rst
  ixpk= 1132, nxpk= 20, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 335, 336, 337, 339, 340, 341,
 &end
#
#   57 LYS  HB+          54 PHE  HA          4.00    (#   1133:20  Unique         1.91, 2.85 A)
 &rst
  ixpk= 1133, nxpk= 20, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 921, 922,
 &end
#
#   83 GLU  HG-          83 GLU  HA          3.00    (#   1134:20  Unique         2.00, 2.69 A)
 &rst
  ixpk= 1134, nxpk= 20, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1341,1342,
 &end
#
#    0 AMB  20-2:1135    83 GLU  HA          3.00    (#   1135:20  Single Ambig)
 &rst
  ixpk= 1135, nxpk= 20, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1341,1342,1338,1339,
 &end
#
#   83 GLU  HB-          83 GLU  HA          3.00    (#   1136:20  Unique         2.46, 2.87 A)
 &rst
  ixpk= 1136, nxpk= 20, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1338,1339,
 &end
#
#   86 ALA  MB           83 GLU  HA          3.00    (#   1137:20  Unique         1.99, 3.19 A)
 &rst
  ixpk= 1137, nxpk= 20, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1377,1378,1379,
 &end
#
#  141 ASN  HB+         142 ARG  HA          4.00    (#   1138:20  Unique         3.88, 4.57 A)
 &rst
  ixpk= 1138, nxpk= 20, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2233,2234,
 &end
#
#   56 ASP  HA           53 GLU  HA          6.00    (#   1139:20  Unique         5.01, 5.82 A)
 &rst
  ixpk= 1139, nxpk= 20, iat= 907, 848, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 THR  MG2          21 VAL  HA          5.00    (#   1142:20  Unique         3.70, 4.92 A)
 &rst
  ixpk= 1142, nxpk= 20, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 351, 352, 353,
 &end
#
#   60 ASP  HA           59 GLN  HA          5.00    (#   1143:20  Unique         4.25, 4.34 A)
 &rst
  ixpk= 1143, nxpk= 20, iat= 979, 962, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1144    59 GLN  HA          3.00    (#   1144:20  Single Ambig)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 967, 968, 964, 965,
 &end
#
#   59 GLN  HB-          59 GLN  HA          3.00    (#   1145:20  Unique         2.57, 2.86 A)
 &rst
  ixpk= 1145, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 964, 965,
 &end
#
#    0 AMB  20-2:1147     0 AMB  20-1:1147   3.00    (#   1147:20  Double Ambig)
 &rst
  ixpk= 1147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 850, 851,2247,2248,
 igr2= 848,2245,
 &end
#
#  106 PHE  HB-         106 PHE  HA          3.00    (#   1148:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 1148, nxpk= 20, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1667,1668,
 &end
#
#    0 AMB  20-2:1149     0 AMB  20-1:1149   3.00    (#   1149:20  Double Ambig)
 &rst
  ixpk= 1149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 850, 851,   8,   9,
 igr2= 801,1665,
 &end
#
#   57 LYS  HG+          57 LYS  HA          4.00    (#   1150:20  Unique         2.29, 3.26 A)
 &rst
  ixpk= 1150, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 924, 925,
 &end
#
#  146 GLU  HG+         142 ARG  HA          4.00    (#   1152:20  Unique         2.93, 4.47 A)
 &rst
  ixpk= 1152, nxpk= 20, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2319,2320,
 &end
#
#  142 ARG  HD+         142 ARG  HA          4.00    (#   1153:20  Unique         2.21, 3.17 A)
 &rst
  ixpk= 1153, nxpk= 20, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2253,2254,
 &end
#
#    0 AMB  20-2:1154    53 GLU  HA          3.00    (#   1154:20  Single Ambig)
 &rst
  ixpk= 1154, nxpk= 20, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 850, 851, 853, 854,
 &end
#
#  142 ARG  HG+         142 ARG  HA          3.00    (#   1155:20  Unique         2.04, 3.04 A)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2250,2251,
 &end
#
#  145 ALA  MB          142 ARG  HA          3.00    (#   1156:20  Unique         2.00, 3.52 A)
 &rst
  ixpk= 1156, nxpk= 20, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2306,2307,2308,
 &end
#
#    1 MET  HG-         106 PHE  HA          3.00    (#   1160:20  Unique         2.32, 5.09 A)
 &rst
  ixpk= 1160, nxpk= 20, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  11,  12,
 &end
#
#    0 AMB  20-2:1161     0 AMB  20-1:1161   3.00    (#   1161:20  Double Ambig)
 &rst
  ixpk= 1161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 850, 851, 747, 748,
 igr2= 801, 745,
 &end
#
#   57 LYS  HB-          57 LYS  HA          3.00    (#   1163:20  Unique         2.24, 2.67 A)
 &rst
  ixpk= 1163, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 921, 922,
 &end
#
#   57 LYS  HB+          57 LYS  HA          3.00    (#   1164:20  Unique         2.24, 2.67 A)
 &rst
  ixpk= 1164, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 921, 922,
 &end
#
#   80 LYS  HB-          80 LYS  HA          3.00    (#   1167:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 1167, nxpk= 20, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1275,1276,
 &end
#
#    0 AMB  20-2:1169     0 AMB  20-1:1169   5.00    (#   1169:20  Double Ambig)
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1341,1342,1029,1030,
 igr2=1273,1880,
 &end
#
#   83 GLU  HB-          80 LYS  HA          3.00    (#   1170:20  Unique         2.62, 3.27 A)
 &rst
  ixpk= 1170, nxpk= 20, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1338,1339,
 &end
#
#    0 AMB  20-2:1171    80 LYS  HA          4.00    (#   1171:20  Single Ambig)
 &rst
  ixpk= 1171, nxpk= 20, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1281,1282,1281,1282,1322,1323,
 &end
#
#    0 AMB  20-2:1172     0 AMB  20-1:1172   3.00    (#   1172:20  Double Ambig)
 &rst
  ixpk= 1172, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1278,1279,1888,1889,
 igr2=1273,1880,
 &end
#
#    0 AMB  20-2:1173     0 AMB  20-1:1173   3.00    (#   1173:20  Double Ambig)
 &rst
  ixpk= 1173, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1278,1279, 444, 445,
 igr2=1273,1880,
 &end
#
#    0 AMB  20-2:1174     0 AMB  20-1:1174   3.00    (#   1174:20  Double Ambig)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 806, 807, 806, 807,1390,1391,1387,1388, 803, 804,
      
 igr2= 801,1385,
 &end
#
#   57 LYS  HG-          57 LYS  HA          3.00    (#   1175:20  Unique         2.29, 3.26 A)
 &rst
  ixpk= 1175, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 924, 925,
 &end
#
#    0 AMB  20-2:1176    55 ARG  HA          4.00    (#   1176:20  Single Ambig)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 962, 863,
 &end
#
#    0 AMB  20-2:1177    55 ARG  HA          3.00    (#   1177:20  Single Ambig)
 &rst
  ixpk= 1177, nxpk= 20, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 885, 886,1464,1465,
 &end
#
#    0 AMB  20-2:1182   131 SER  HA          4.00    (#   1182:20  Single Ambig)
 &rst
  ixpk= 1182, nxpk= 20, iat=  -1,2061, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2063,2064, 694,
 &end
#
#  131 SER  HB-         131 SER  HA          3.00    (#   1183:20  Unique         2.31, 2.76 A)
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1,2061, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2063,2064,
 &end
#
#   83 GLU  HB+          80 LYS  HA          6.00    (#   1184:20  Unique         2.62, 3.27 A)
 &rst
  ixpk= 1184, nxpk= 20, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1338,1339,
 &end
#
#  119 LYS  HB+         119 LYS  HA          3.00    (#   1185:20  Unique         2.24, 2.45 A)
 &rst
  ixpk= 1185, nxpk= 20, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1882,1883,
 &end
#
#  119 LYS  HG-         119 LYS  HA          6.00    (#   1186:20  Unique         3.50, 3.81 A)
 &rst
  ixpk= 1186, nxpk= 20, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1885,1886,
 &end
#
#  100 HIS  HB-         100 HIS  HA          3.00    (#   1188:20  Unique         2.54, 2.83 A)
 &rst
  ixpk= 1188, nxpk= 20, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1585,1586,
 &end
#
#  148 GLU  HB+         148 GLU  HA          3.00    (#   1191:20  Unique         2.27, 2.76 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=  -1,2343, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2345,2346,
 &end
#
#    0 AMB  20-2:1196     4 ARG  HA          4.00    (#   1196:20  Single Ambig)
 &rst
  ixpk= 1196, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  72,  73,  72,  73,
 &end
#
#    4 ARG  HB-           4 ARG  HA          3.00    (#   1197:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 1197, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  66,  67,
 &end
#
#    4 ARG  HB+           4 ARG  HA          3.00    (#   1198:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 1198, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  66,  67,
 &end
#
#    4 ARG  HG-           4 ARG  HA          3.00    (#   1199:20  Unique         2.47, 3.26 A)
 &rst
  ixpk= 1199, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  69,  70,
 &end
#
#    4 ARG  HG+           4 ARG  HA          3.00    (#   1200:20  Unique         2.47, 3.26 A)
 &rst
  ixpk= 1200, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  69,  70,
 &end
#
#  136 LEU  HB-         136 LEU  HA          3.00    (#   1201:20  Unique         2.26, 2.77 A)
 &rst
  ixpk= 1201, nxpk= 20, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2137,2138,
 &end
#
#    0 AMB  20-2:1202   136 LEU  HA          3.00    (#   1202:20  Single Ambig)
 &rst
  ixpk= 1202, nxpk= 20, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=2193,2194,2137,2138,2140,
 &end
#
#  136 LEU  MDX         136 LEU  HA          3.00    (#   1203:20  Unique         1.91, 3.50 A)
 &rst
  ixpk= 1203, nxpk= 20, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2142,2143,2144,2146,2147,2148,
 &end
#
#  136 LEU  MDY         136 LEU  HA          4.00    (#   1204:20  Unique         1.91, 3.50 A)
 &rst
  ixpk= 1204, nxpk= 20, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2142,2143,2144,2146,2147,2148,
 &end
#
#  119 LYS  HD-          29 GLU  HA          3.00    (#   1208:20  Unique         1.97, 2.72 A)
 &rst
  ixpk= 1208, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1888,1889,
 &end
#
#  119 LYS  HB+          29 GLU  HA          4.00    (#   1209:20  Unique         2.28, 3.77 A)
 &rst
  ixpk= 1209, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1882,1883,
 &end
#
#  111 VAL  HB          111 VAL  HA          3.00    (#   1210:20  Unique         2.24, 2.67 A)
 &rst
  ixpk= 1210, nxpk= 20, iat=1752,1750, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  113 ALA  MB          111 VAL  HA          4.00    (#   1211:20  Unique         2.73, 3.80 A)
 &rst
  ixpk= 1211, nxpk= 20, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1782,1783,1784,
 &end
#
#  111 VAL  MGX         111 VAL  HA          3.00    (#   1212:20  Unique         2.17, 3.35 A)
 &rst
  ixpk= 1212, nxpk= 20, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1754,1755,1756,1758,1759,1760,
 &end
#
#   29 GLU  HG-          29 GLU  HA          3.00    (#   1217:20  Unique         2.20, 3.08 A)
 &rst
  ixpk= 1217, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 467, 468,
 &end
#
#   29 GLU  HB+          29 GLU  HA          3.00    (#   1218:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 1218, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 464, 465,
 &end
#
#   29 GLU  HB-          29 GLU  HA          3.00    (#   1219:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 1219, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 464, 465,
 &end
#
#  135 MET  HB+         135 MET  HA          3.00    (#   1221:20  Unique         2.33, 2.67 A)
 &rst
  ixpk= 1221, nxpk= 20, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2120,2121,
 &end
#
#   43 LEU  MDY          43 LEU  HA          3.00    (#   1223:20  Unique         1.99, 3.65 A)
 &rst
  ixpk= 1223, nxpk= 20, iat=  -1, 694, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 701, 702, 703, 705, 706, 707,
 &end
#
#  103 THR  MG2         100 HIS  HA          4.00    (#   1227:20  Unique         3.86, 5.24 A)
 &rst
  ixpk= 1227, nxpk= 20, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1633,1634,1635,
 &end
#
#  144 LEU  MDX         144 LEU  HA          3.00    (#   1230:20  Unique         2.04, 4.02 A)
 &rst
  ixpk= 1230, nxpk= 20, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2292,2293,2294,2296,2297,2298,
 &end
#
#  144 LEU  HB+         144 LEU  HA          3.00    (#   1231:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 1231, nxpk= 20, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2287,2288,
 &end
#
#  139 ARG  HD-         139 ARG  HA          3.00    (#   1234:20  Unique         1.98, 2.99 A)
 &rst
  ixpk= 1234, nxpk= 20, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2199,2200,
 &end
#
#  139 ARG  HD+         139 ARG  HA          4.00    (#   1235:20  Unique         1.98, 2.99 A)
 &rst
  ixpk= 1235, nxpk= 20, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2199,2200,
 &end
#
#    9 GLU  HG-           9 GLU  HA          4.00    (#   1236:20  Unique         2.04, 3.01 A)
 &rst
  ixpk= 1236, nxpk= 20, iat=  -1, 150, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 155, 156,
 &end
#
#    0 AMB  20-2:1237     0 AMB  20-1:1237   3.00    (#   1237:20  Double Ambig)
 &rst
  ixpk= 1237, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=2247,2248, 152, 153,
 igr2=2191, 150,
 &end
#
#    9 GLU  HB+           9 GLU  HA          3.00    (#   1238:20  Unique         2.54, 2.82 A)
 &rst
  ixpk= 1238, nxpk= 20, iat=  -1, 150, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 152, 153,
 &end
#
#  142 ARG  HG+         139 ARG  HA          3.00    (#   1239:20  Unique         2.66, 3.73 A)
 &rst
  ixpk= 1239, nxpk= 20, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2250,2251,
 &end
#
#  139 ARG  HB-         139 ARG  HA          3.00    (#   1240:20  Unique         2.50, 2.84 A)
 &rst
  ixpk= 1240, nxpk= 20, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2193,2194,
 &end
#
#  139 ARG  HB+         139 ARG  HA          4.00    (#   1241:20  Unique         2.50, 2.84 A)
 &rst
  ixpk= 1241, nxpk= 20, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2193,2194,
 &end
#
#   72 SER  HB+          72 SER  HA          3.00    (#   1242:20  Unique         2.42, 2.85 A)
 &rst
  ixpk= 1242, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1173,1174,
 &end
#
#    0 AMB  20-2:1243     0 AMB  20-1:1243   3.00    (#   1243:20  Double Ambig)
 &rst
  ixpk= 1243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 658, 659,1173,1174,
 igr2= 656,1171,
 &end
#
#    0 AMB  20-2:1244   104 ASP  HA          4.00    (#   1244:20  Single Ambig)
 &rst
  ixpk= 1244, nxpk= 20, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1685,1629,
 &end
#
#  104 ASP  HB-         104 ASP  HA          3.00    (#   1245:20  Unique         2.51, 2.81 A)
 &rst
  ixpk= 1245, nxpk= 20, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1645,1646,
 &end
#
#  104 ASP  HB+         104 ASP  HA          3.00    (#   1246:20  Unique         2.51, 2.81 A)
 &rst
  ixpk= 1246, nxpk= 20, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1645,1646,
 &end
#
#   48 MET  HB-          48 MET  HA          3.00    (#   1247:20  Unique         2.33, 2.81 A)
 &rst
  ixpk= 1247, nxpk= 20, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 772, 773,
 &end
#
#   48 MET  HB+          48 MET  HA          3.00    (#   1248:20  Unique         2.33, 2.81 A)
 &rst
  ixpk= 1248, nxpk= 20, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 772, 773,
 &end
#
#   51 VAL  HB           48 MET  HA          3.00    (#   1249:20  Unique         2.53, 3.02 A)
 &rst
  ixpk= 1249, nxpk= 20, iat= 820, 770, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   51 VAL  MGX          48 MET  HA          6.00    (#   1250:20  Unique         2.20, 4.98 A)
 &rst
  ixpk= 1250, nxpk= 20, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  20-2:1251   102 LEU  HA          3.00    (#   1251:20  Single Ambig)
 &rst
  ixpk= 1251, nxpk= 20, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1657,1658,1659, 141, 142,
 &end
#
#  102 LEU  HB-         102 LEU  HA          3.00    (#   1252:20  Unique         2.31, 2.78 A)
 &rst
  ixpk= 1252, nxpk= 20, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1612,1613,
 &end
#
#  102 LEU  HG          102 LEU  HA          4.00    (#   1254:20  Unique         2.32, 2.82 A)
 &rst
  ixpk= 1254, nxpk= 20, iat=1615,1610, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  102 LEU  MDX         102 LEU  HA          3.00    (#   1255:20  Unique         1.95, 3.81 A)
 &rst
  ixpk= 1255, nxpk= 20, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#  146 GLU  HG-         146 GLU  HA          3.00    (#   1256:20  Unique         2.24, 3.41 A)
 &rst
  ixpk= 1256, nxpk= 20, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2319,2320,
 &end
#
#  146 GLU  HG+         146 GLU  HA          3.00    (#   1257:20  Unique         2.24, 3.41 A)
 &rst
  ixpk= 1257, nxpk= 20, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2319,2320,
 &end
#
#  146 GLU  HB-         146 GLU  HA          3.00    (#   1258:20  Unique         2.31, 2.68 A)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2316,2317,
 &end
#
#   25 GLN  HG+          25 GLN  HA          3.00    (#   1259:20  Unique         1.97, 2.74 A)
 &rst
  ixpk= 1259, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 405, 406,
 &end
#
#   25 GLN  HB-          25 GLN  HA          3.00    (#   1260:20  Unique         2.38, 2.83 A)
 &rst
  ixpk= 1260, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 402, 403,
 &end
#
#   25 GLN  HB+          25 GLN  HA          3.00    (#   1261:20  Unique         2.38, 2.83 A)
 &rst
  ixpk= 1261, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 402, 403,
 &end
#
#  144 LEU  MDY         144 LEU  HA          4.00    (#   1262:20  Unique         2.04, 4.02 A)
 &rst
  ixpk= 1262, nxpk= 20, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2292,2293,2294,2296,2297,2298,
 &end
#
#  109 GLU  HG+         109 GLU  HA          3.00    (#   1263:20  Unique         2.00, 2.72 A)
 &rst
  ixpk= 1263, nxpk= 20, iat=  -1,1714, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1719,1720,
 &end
#
#  107 GLU  HB+         104 ASP  HA          5.00    (#   1267:20  Unique         3.69, 5.37 A)
 &rst
  ixpk= 1267, nxpk= 20, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1687,1688,
 &end
#
#    0 AMB  20-2:1269    25 GLN  HA          5.00    (#   1269:20  Single Ambig)
 &rst
  ixpk= 1269, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 424, 425, 426, 428, 429, 430, 335, 336, 337, 339,
       340, 341,
 &end
#
#  109 GLU  HB-         109 GLU  HA          3.00    (#   1272:20  Unique         2.35, 2.82 A)
 &rst
  ixpk= 1272, nxpk= 20, iat=  -1,1714, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1716,1717,
 &end
#
#  104 ASP  HA          107 GLU  HA          3.00    (#   1274:20  Unique         4.08, 4.39 A)
 &rst
  ixpk= 1274, nxpk= 20, iat=1643,1685, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1276   107 GLU  HA          3.00    (#   1276:20  Single Ambig)
 &rst
  ixpk= 1276, nxpk= 20, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1690,1691,1687,1688,
 &end
#
#    0 AMB  20-2:1278     3 LEU  HA          3.00    (#   1278:20  Single Ambig)
 &rst
  ixpk= 1278, nxpk= 20, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=  47,  48,  50,
 &end
#
#    3 LEU  HB-           3 LEU  HA          3.00    (#   1279:20  Unique         2.23, 2.71 A)
 &rst
  ixpk= 1279, nxpk= 20, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  47,  48,
 &end
#
#    3 LEU  MDX           3 LEU  HA          4.00    (#   1280:20  Unique         1.92, 3.88 A)
 &rst
  ixpk= 1280, nxpk= 20, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  20-2:1281     3 LEU  HA          3.00    (#   1281:20  Single Ambig)
 &rst
  ixpk= 1281, nxpk= 20, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=  52,  53,  54,  56,  57,  58,1947,1948,1949,1951,
      1952,1953,
 &end
#
#   55 ARG  HA           56 ASP  HA          5.00    (#   1283:20  Unique         4.62, 4.70 A)
 &rst
  ixpk= 1283, nxpk= 20, iat= 883, 907, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1285   141 ASN  HA          5.00    (#   1285:20  Single Ambig)
 &rst
  ixpk= 1285, nxpk= 20, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2245,2285,
 &end
#
#  141 ASN  HB-         141 ASN  HA          3.00    (#   1286:20  Unique         2.35, 2.70 A)
 &rst
  ixpk= 1286, nxpk= 20, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2233,2234,
 &end
#
#  141 ASN  HB+         141 ASN  HA          3.00    (#   1287:20  Unique         2.35, 2.70 A)
 &rst
  ixpk= 1287, nxpk= 20, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2233,2234,
 &end
#
#  144 LEU  HB-         141 ASN  HA          3.00    (#   1289:20  Unique         2.29, 3.38 A)
 &rst
  ixpk= 1289, nxpk= 20, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2287,2288,
 &end
#
#  144 LEU  MDX         141 ASN  HA          5.00    (#   1290:20  Unique         1.94, 4.40 A)
 &rst
  ixpk= 1290, nxpk= 20, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2292,2293,2294,2296,2297,2298,
 &end
#
#  144 LEU  MDY         141 ASN  HA          3.00    (#   1291:20  Unique         1.94, 4.40 A)
 &rst
  ixpk= 1291, nxpk= 20, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2292,2293,2294,2296,2297,2298,
 &end
#
#   38 SER  HB-          38 SER  HA          4.00    (#   1294:20  Unique         2.26, 2.74 A)
 &rst
  ixpk= 1294, nxpk= 20, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 628, 629,
 &end
#
#    0 AMB  20-2:1296     0 AMB  20-1:1296   3.00    (#   1296:20  Double Ambig)
 &rst
  ixpk= 1296, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1101,1102,1687,1688,
 igr2=1099,1685,
 &end
#
#   68 HIS  HB-          68 HIS  HA          6.00    (#   1297:20  Unique         2.23, 2.81 A)
 &rst
  ixpk= 1297, nxpk= 20, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1101,1102,
 &end
#
#  123 LEU  MDY         123 LEU  HA          4.00    (#   1298:20  Unique         1.96, 3.67 A)
 &rst
  ixpk= 1298, nxpk= 20, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1947,1948,1949,1951,1952,1953,
 &end
#
#   30 LYS  HE-          61 GLN  HA          5.00    (#   1299:20  Unique         1.94, 3.13 A)
 &rst
  ixpk= 1299, nxpk= 20, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 488, 489,
 &end
#
#   56 ASP  HB+          56 ASP  HA          3.00    (#   1300:20  Unique         2.40, 2.81 A)
 &rst
  ixpk= 1300, nxpk= 20, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 909, 910,
 &end
#
#   61 GLN  HG+          61 GLN  HA          3.00    (#   1301:20  Unique         2.25, 2.71 A)
 &rst
  ixpk= 1301, nxpk= 20, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 996, 997,
 &end
#
#    0 AMB  20-2:1302    61 GLN  HA          3.00    (#   1302:20  Single Ambig)
 &rst
  ixpk= 1302, nxpk= 20, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 485, 486, 482, 483,
 &end
#
#    0 AMB  20-2:1303    61 GLN  HA          3.00    (#   1303:20  Single Ambig)
 &rst
  ixpk= 1303, nxpk= 20, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 993, 994, 479, 480,
 &end
#
#  144 LEU  MDX          61 GLN  HA          6.00    (#   1304:20  Unique         3.08, 5.22 A)
 &rst
  ixpk= 1304, nxpk= 20, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2292,2293,2294,2296,2297,2298,
 &end
#
#   88 HIS  HB+          88 HIS  HA          3.00    (#   1305:20  Unique         2.36, 2.79 A)
 &rst
  ixpk= 1305, nxpk= 20, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1402,1403,
 &end
#
#   38 SER  HB+          38 SER  HA          5.00    (#   1320:20  Unique         2.26, 2.74 A)
 &rst
  ixpk= 1320, nxpk= 20, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 628, 629,
 &end
#
#    0 AMB  20-2:1328    71 ARG  HA          4.00    (#   1328:20  Single Ambig)
 &rst
  ixpk= 1328, nxpk= 20, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1155,1156,1211,1212,
 &end
#
#    0 AMB  20-2:1329     0 AMB  20-1:1329   3.00    (#   1329:20  Double Ambig)
 &rst
  ixpk= 1329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1149,1150,1390,1391,
 igr2=1147,1400,
 &end
#
#    0 AMB  20-2:1330    71 ARG  HA          3.00    (#   1330:20  Single Ambig)
 &rst
  ixpk= 1330, nxpk= 20, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1152,1153,1149,1150,
 &end
#
#   71 ARG  HG-          71 ARG  HA          3.00    (#   1331:20  Unique         2.15, 2.54 A)
 &rst
  ixpk= 1331, nxpk= 20, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1152,1153,
 &end
#
#   88 HIS  HB-          88 HIS  HA          3.00    (#   1332:20  Unique         2.36, 2.79 A)
 &rst
  ixpk= 1332, nxpk= 20, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1402,1403,
 &end
#
#   60 ASP  HB+          60 ASP  HA          3.00    (#   1338:20  Unique         2.35, 2.86 A)
 &rst
  ixpk= 1338, nxpk= 20, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 981, 982,
 &end
#
#   59 GLN  HG-          60 ASP  HA          6.00    (#   1339:20  Unique         4.36, 5.73 A)
 &rst
  ixpk= 1339, nxpk= 20, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 967, 968,
 &end
#
#  104 ASP  HB-         101 ALA  HA          3.00    (#   1340:20  Unique         2.50, 4.11 A)
 &rst
  ixpk= 1340, nxpk= 20, iat=  -1,1600, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1645,1646,
 &end
#
#    0 AMB  20-2:1342     1 MET  HA          3.00    (#   1342:20  Single Ambig)
 &rst
  ixpk= 1342, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  93,  94,  11,  12,  11,  12,
 &end
#
#    1 MET  HB-           1 MET  HA          3.00    (#   1343:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 1343, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=   8,   9,
 &end
#
#   85 ALA  MB           85 ALA  HA          3.00    (#   1344:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1367,1368,1369,
 &end
#
#    0 AMB  20-2:1345    85 ALA  HA          6.00    (#   1345:20  Single Ambig)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1437,1438, 779, 780, 781,
 &end
#
#   90 ILE  QG2          85 ALA  HA          5.00    (#   1346:20  Unique         3.83, 5.94 A)
 &rst
  ixpk= 1346, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1433,1434,1435,
 &end
#
#   90 ILE  QD1          85 ALA  HA          3.00    (#   1347:20  Unique         2.05, 3.83 A)
 &rst
  ixpk= 1347, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1440,1441,1442,
 &end
#
#   88 HIS  HB+          85 ALA  HA          5.00    (#   1348:20  Unique         2.03, 3.33 A)
 &rst
  ixpk= 1348, nxpk= 20, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1402,1403,
 &end
#
#  122 GLN  HB+         122 GLN  HA          4.00    (#   1349:20  Unique         2.26, 2.66 A)
 &rst
  ixpk= 1349, nxpk= 20, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1925,1926,
 &end
#
#   14 LYS  HB-          14 LYS  HA          3.00    (#   1350:20  Unique         2.60, 2.85 A)
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 222, 223,
 &end
#
#   14 LYS  HG+          14 LYS  HA          3.00    (#   1351:20  Unique         1.93, 2.65 A)
 &rst
  ixpk= 1351, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 225, 226,
 &end
#
#   89 ASP  HB-           0 AMB  20-1:1352   3.00    (#   1352:20  Single Ambig)
 &rst
  ixpk= 1352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1419,1420,
 igr2=1417, 834,
 &end
#
#    0 AMB  20-2:1353     0 AMB  20-1:1353   3.00    (#   1353:20  Double Ambig)
 &rst
  ixpk= 1353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1419,1420,1419,1420, 155, 156,
 igr2=1417, 834,1600,
 &end
#
#    0 AMB  20-2:1355     0 AMB  20-1:1355   3.00    (#   1355:20  Double Ambig)
 &rst
  ixpk= 1355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1223,1224, 422,
 igr2=1221, 417,
 &end
#
#   26 LEU  MDX          26 LEU  HA          4.00    (#   1356:20  Unique         1.97, 4.23 A)
 &rst
  ixpk= 1356, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:1357     1 MET  HA          3.00    (#   1357:20  Single Ambig)
 &rst
  ixpk= 1357, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  15,  16,  17,1657,1658,1659,
 &end
#
#    2 LYS  HG-           1 MET  HA          5.00    (#   1358:20  Unique         3.14, 4.41 A)
 &rst
  ixpk= 1358, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  28,  29,
 &end
#
#    0 AMB  20-2:1359   122 GLN  HA          3.00    (#   1359:20  Single Ambig)
 &rst
  ixpk= 1359, nxpk= 20, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1925,1926,1928,1929,
 &end
#
#    0 AMB  20-2:1364     0 AMB  20-1:1364   3.00    (#   1364:20  Double Ambig)
 &rst
  ixpk= 1364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=1657,1658,1659,1702,1703, 885, 886,
 igr2=1655,1700, 834,
 &end
#
#   76 LEU  MDX          76 LEU  HA          4.00    (#   1365:20  Unique         2.32, 4.10 A)
 &rst
  ixpk= 1365, nxpk= 20, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1228,1229,1230,1232,1233,1234,
 &end
#
#   76 LEU  MDY          76 LEU  HA          4.00    (#   1366:20  Unique         2.32, 4.10 A)
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1228,1229,1230,1232,1233,1234,
 &end
#
#   18 ASN  HB-          18 ASN  HA          3.00    (#   1372:20  Unique         2.32, 2.78 A)
 &rst
  ixpk= 1372, nxpk= 20, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 297, 298,
 &end
#
#   18 ASN  HB+          18 ASN  HA          3.00    (#   1373:20  Unique         2.32, 2.78 A)
 &rst
  ixpk= 1373, nxpk= 20, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 297, 298,
 &end
#
#  108 ASN  HB+         108 ASN  HA          4.00    (#   1375:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 1375, nxpk= 20, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1702,1703,
 &end
#
#   86 ALA  MB           86 ALA  HA          3.00    (#   1376:20  Unique         2.26, 2.66 A)
 &rst
  ixpk= 1376, nxpk= 20, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1377,1378,1379,
 &end
#
#   20 GLU  HB-          20 GLU  HA          3.00    (#   1378:20  Unique         2.36, 2.72 A)
 &rst
  ixpk= 1378, nxpk= 20, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 318, 319,
 &end
#
#    6 PRO  HD+           5 GLN  HA          3.00    (#   1379:20  Unique         2.18, 2.41 A)
 &rst
  ixpk= 1379, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 104, 105,
 &end
#
#    6 PRO  HD-           5 GLN  HA          3.00    (#   1380:20  Unique         2.18, 2.41 A)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 104, 105,
 &end
#
#    0 AMB  20-2:1381     0 AMB  20-1:1381   3.00    (#   1381:20  Double Ambig)
 &rst
  ixpk= 1381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=  93,  94,  11,  12,  93,  94,
 igr2=  88,  23,
 &end
#
#    5 GLN  HB+           5 GLN  HA          3.00    (#   1382:20  Unique         2.26, 2.50 A)
 &rst
  ixpk= 1382, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  90,  91,
 &end
#
#    2 LYS  HB-           2 LYS  HA          3.00    (#   1386:20  Unique         2.27, 2.54 A)
 &rst
  ixpk= 1386, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  25,  26,
 &end
#
#    0 AMB  20-2:1387     2 LYS  HA          4.00    (#   1387:20  Single Ambig)
 &rst
  ixpk= 1387, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=  52,  53,  54,  56,  57,  58,1947,1948,1949,1951,
      1952,1953,
 &end
#
#    2 LYS  HB+           2 LYS  HA          3.00    (#   1388:20  Unique         2.27, 2.54 A)
 &rst
  ixpk= 1388, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  25,  26,
 &end
#
#    2 LYS  HG-           2 LYS  HA          3.00    (#   1389:20  Unique         2.40, 3.58 A)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  28,  29,
 &end
#
#  127 GLN  HB+         127 GLN  HA          3.00    (#   1393:20  Unique         2.48, 2.85 A)
 &rst
  ixpk= 1393, nxpk= 20, iat=  -1,2020, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2022,2023,
 &end
#
#  128 ALA  MB          127 GLN  HA          6.00    (#   1394:20  Unique         3.86, 4.81 A)
 &rst
  ixpk= 1394, nxpk= 20, iat=  -1,2020, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2039,2040,2041,
 &end
#
#    8 PRO  HD+           7 MET  HA          3.00    (#   1396:20  Unique         2.04, 2.23 A)
 &rst
  ixpk= 1396, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 135, 136,
 &end
#
#    8 PRO  HD-           7 MET  HA          3.00    (#   1397:20  Unique         2.04, 2.23 A)
 &rst
  ixpk= 1397, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 135, 136,
 &end
#
#    0 AMB  20-2:1398     7 MET  HA          4.00    (#   1398:20  Single Ambig)
 &rst
  ixpk= 1398, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 121, 122, 170,
 &end
#
#    7 MET  ME            7 MET  HA          4.00    (#   1399:20  Unique         2.35, 4.26 A)
 &rst
  ixpk= 1399, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 128, 129, 130,
 &end
#
#    0 AMB  20-2:1406    92 GLN  HA          3.00    (#   1406:20  Single Ambig)
 &rst
  ixpk= 1406, nxpk= 20, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1478,1479,1478,1479,
 &end
#
#  102 LEU  MDX          10 LEU  HA          3.00    (#   1413:20  Unique         1.95, 4.29 A)
 &rst
  ixpk= 1413, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#  118 ASP  HB+         118 ASP  HA          3.00    (#   1415:20  Unique         2.31, 2.73 A)
 &rst
  ixpk= 1415, nxpk= 20, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1870,1871,
 &end
#
#  118 ASP  HB-         118 ASP  HA          3.00    (#   1416:20  Unique         2.31, 2.73 A)
 &rst
  ixpk= 1416, nxpk= 20, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1870,1871,
 &end
#
#   10 LEU  HB+          10 LEU  HA          6.00    (#   1417:20  Unique         2.38, 2.78 A)
 &rst
  ixpk= 1417, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 167, 168,
 &end
#
#   10 LEU  MDY          10 LEU  HA          3.00    (#   1418:20  Unique         1.94, 3.38 A)
 &rst
  ixpk= 1418, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 172, 173, 174, 176, 177, 178,
 &end
#
#    0 AMB  20-2:1420   118 ASP  HA          3.00    (#   1420:20  Single Ambig)
 &rst
  ixpk= 1420, nxpk= 20, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279,
 &end
#
#    0 AMB  20-2:1422   145 ALA  HA          5.00    (#   1422:20  Single Ambig)
 &rst
  ixpk= 1422, nxpk= 20, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2285,2245,
 &end
#
#  144 LEU  HB+         145 ALA  HA          5.00    (#   1423:20  Unique         4.29, 4.51 A)
 &rst
  ixpk= 1423, nxpk= 20, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2287,2288,
 &end
#
#  145 ALA  MB          145 ALA  HA          3.00    (#   1424:20  Unique         2.30, 2.66 A)
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2306,2307,2308,
 &end
#
#   31 PRO  HA          118 ASP  HA          5.00    (#   1426:20  Unique         2.87, 3.32 A)
 &rst
  ixpk= 1426, nxpk= 20, iat= 507,1868, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 PRO  HB-         118 ASP  HA          4.00    (#   1427:20  Unique         1.87, 2.66 A)
 &rst
  ixpk= 1427, nxpk= 20, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 504, 505,
 &end
#
#   49 PRO  HD+          47 ALA  HA          4.00    (#   1439:20  Unique         2.40, 3.56 A)
 &rst
  ixpk= 1439, nxpk= 20, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 786, 787,
 &end
#
#    0 AMB  20-2:1440    47 ALA  HA          4.00    (#   1440:20  Single Ambig)
 &rst
  ixpk= 1440, nxpk= 20, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 806, 807, 803, 804,
 &end
#
#   47 ALA  MB           47 ALA  HA          3.00    (#   1441:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 1441, nxpk= 20, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 762, 763, 764,
 &end
#
#   15 ALA  MB           15 ALA  HA          3.00    (#   1445:20  Unique         2.24, 2.66 A)
 &rst
  ixpk= 1445, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 244, 245, 246,
 &end
#
#   78 PRO  HG+          78 PRO  HD+         3.00    (#   1447:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 1447, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1254,1255,
 igr2=1251,1252,
 &end
#
#    8 PRO  HG+           8 PRO  HD+         4.00    (#   1448:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 1448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 138, 139,
 igr2= 135, 136,
 &end
#
#    5 GLN  HA            6 PRO  HD+         3.00    (#   1452:20  Unique         2.18, 2.41 A)
 &rst
  ixpk= 1452, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 104, 105,
 &end
#
#   78 PRO  HA           78 PRO  HD-         4.00    (#   1453:20  Unique         3.79, 3.88 A)
 &rst
  ixpk= 1453, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1251,1252,
 &end
#
#   78 PRO  HG+          78 PRO  HD-         3.00    (#   1455:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 1455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1254,1255,
 igr2=1251,1252,
 &end
#
#    0 AMB  20-2:1456     0 AMB  20-1:1456   3.00    (#   1456:20  Double Ambig)
 &rst
  ixpk= 1456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 789, 790,1257,1258,
 igr2= 786, 787,1251,1252,
 &end
#
#   78 PRO  HA           78 PRO  HD-         4.00    (#   1457:20  Unique         3.79, 3.88 A)
 &rst
  ixpk= 1457, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1251,1252,
 &end
#
#    0 AMB  20-2:1459     0 AMB  20-1:1459   4.00    (#   1459:20  Double Ambig)
 &rst
  ixpk= 1459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  15,  16,  17, 170, 141, 142,
 igr2= 135, 136, 135, 136, 135, 136,
 &end
#
#    8 PRO  HG-           8 PRO  HD+         4.00    (#   1460:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 1460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 138, 139,
 igr2= 135, 136,
 &end
#
#    7 MET  HA            8 PRO  HD-         4.00    (#   1461:20  Unique         2.04, 2.23 A)
 &rst
  ixpk= 1461, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 135, 136,
 &end
#
#    0 AMB  20-2:1463     8 PRO  HD-         4.00    (#   1463:20  Single Ambig)
 &rst
  ixpk= 1463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=  15,  16,  17, 170, 141, 142,
 igr2= 135, 136,
 &end
#
#    8 PRO  HG-           8 PRO  HD-         4.00    (#   1464:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 1464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 138, 139,
 igr2= 135, 136,
 &end
#
#    8 PRO  HG+           8 PRO  HD-         4.00    (#   1465:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 1465, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 138, 139,
 igr2= 135, 136,
 &end
#
#    0 AMB  20-2:1468     0 AMB  20-1:1468   4.00    (#   1468:20  Double Ambig)
 &rst
  ixpk= 1468, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  93,  94,2084,2085,1402,1403,
 igr2= 104, 105, 786, 787, 786, 787,
 &end
#
#    5 GLN  HA            6 PRO  HD-         3.00    (#   1474:20  Unique         2.18, 2.41 A)
 &rst
  ixpk= 1474, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 104, 105,
 &end
#
#   46 GLU  HA           49 PRO  HD-         4.00    (#   1475:20  Unique         3.15, 3.57 A)
 &rst
  ixpk= 1475, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 786, 787,
 &end
#
#    0 AMB  20-2:1476     0 AMB  20-1:1476   3.00    (#   1476:20  Double Ambig)
 &rst
  ixpk= 1476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=  93,  94,2084,2085,1402,1403,
 igr2= 104, 105, 786, 787,
 &end
#
#    0 AMB  20-2:1477     0 AMB  20-1:1477   3.00    (#   1477:20  Double Ambig)
 &rst
  ixpk= 1477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1121,1122, 789, 790,1135,1136,1135,1136,
 igr2=1132,1133, 786, 787,
 &end
#
#    0 AMB  20-2:1478    70 PRO  HD-         3.00    (#   1478:20  Single Ambig)
 &rst
  ixpk= 1478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1125,1126,1127,1118,1119,
 igr2=1132,1133,
 &end
#
#  144 LEU  MDX          31 PRO  HD+         4.00    (#   1486:20  Unique         1.96, 4.72 A)
 &rst
  ixpk= 1486, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2292,2293,2294,2296,2297,2298,
 igr2= 498, 499,
 &end
#
#    0 AMB  20-2:1488     0 AMB  20-1:1488   4.00    (#   1488:20  Double Ambig)
 &rst
  ixpk= 1488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1464,1465,1464,1465,
 igr2=1478,1479,1478,1479,
 &end
#
#    0 AMB  20-2:1491     0 AMB  20-1:1491   3.00    (#   1491:20  Double Ambig)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 479, 480,1010,1011, 501, 502,
 igr2= 498, 499, 498, 499, 498, 499,
 &end
#
#    0 AMB  20-2:1493     0 AMB  20-1:1493   4.00    (#   1493:20  Double Ambig)
 &rst
  ixpk= 1493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1882,1883, 482, 483,
 igr2= 498, 499, 498, 499,
 &end
#
#    0 AMB  20-2:1494     0 AMB  20-1:1494   6.00    (#   1494:20  Double Ambig)
 &rst
  ixpk= 1494, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 479, 480,1882,1883,
 igr2= 498, 499, 498, 499,
 &end
#
#   92 GLN  HA            0 AMB  20-1:1496   3.00    (#   1496:20  Single Ambig)
 &rst
  ixpk= 1496, nxpk= 20, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1478,1479,1478,1479,
 &end
#
#   65 VAL  HB            0 AMB  20-1:1497   4.00    (#   1497:20  Single Ambig)
 &rst
  ixpk= 1497, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1478,1479,1478,1479,
 &end
#
#  144 LEU  MDX          31 PRO  HD-         6.00    (#   1498:20  Unique         1.96, 4.72 A)
 &rst
  ixpk= 1498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2292,2293,2294,2296,2297,2298,
 igr2= 498, 499,
 &end
#
#   66 ALA  MB           66 ALA  HA          3.00    (#   1506:20  Unique         2.24, 2.66 A)
 &rst
  ixpk= 1506, nxpk= 20, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1075,1076,1077,
 &end
#
#   65 VAL  MGX          66 ALA  HA          5.00    (#   1507:20  Unique         3.58, 5.58 A)
 &rst
  ixpk= 1507, nxpk= 20, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1061,1062,1063,1065,1066,1067,
 &end
#
#    0 AMB  20-2:1510    62 LEU  HB-         4.00    (#   1510:20  Single Ambig)
 &rst
  ixpk= 1510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1013,2290,
 igr2=1010,1011,
 &end
#
#   62 LEU  MDY          62 LEU  HB-         3.00    (#   1512:20  Unique         1.97, 3.40 A)
 &rst
  ixpk= 1512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1015,1016,1017,1019,1020,1021,
 igr2=1010,1011,
 &end
#
#    0 AMB  20-2:1514     0 AMB  20-1:1514   5.00    (#   1514:20  Double Ambig)
 &rst
  ixpk= 1514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1013,2290,
 igr2=1010,1011,1010,1011,
 &end
#
#   82 LYS  HB+          79 GLY  HA+         4.00    (#   1522:20  Unique         3.37, 4.99 A)
 &rst
  ixpk= 1522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1316,1317,
 igr2=1266,1267,
 &end
#
#   27 ILE  QD1         121 GLY  HA-         4.00    (#   1527:20  Unique         1.94, 3.00 A)
 &rst
  ixpk= 1527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 447, 448, 449,
 igr2=1916,1917,
 &end
#
#   43 LEU  MDY           0 AMB  20-1:1531   3.00    (#   1531:20  Single Ambig)
 &rst
  ixpk= 1531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 701, 702, 703, 705, 706, 707,
 igr2=2054,2055,2072,2073,
 &end
#
#    7 MET  ME          121 GLY  HA+         4.00    (#   1534:20  Unique         1.91, 4.09 A)
 &rst
  ixpk= 1534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 128, 129, 130,
 igr2=1916,1917,
 &end
#
#   27 ILE  QG2           0 AMB  20-1:1535   3.00    (#   1535:20  Single Ambig)
 &rst
  ixpk= 1535, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 440, 441, 442,
 igr2=1916,1917, 455, 456,
 &end
#
#   27 ILE  HA           28 GLY  HA-         6.00    (#   1536:20  Unique         4.31, 4.54 A)
 &rst
  ixpk= 1536, nxpk= 20, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 455, 456,
 &end
#
#    7 MET  ME          121 GLY  HA-         4.00    (#   1538:20  Unique         1.91, 4.09 A)
 &rst
  ixpk= 1538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 128, 129, 130,
 igr2=1916,1917,
 &end
#
#   27 ILE  QG2         121 GLY  HA-         4.00    (#   1539:20  Unique         2.51, 4.26 A)
 &rst
  ixpk= 1539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 440, 441, 442,
 igr2=1916,1917,
 &end
#
#    0 AMB  20-2:1543    12 GLY  HA-         4.00    (#   1543:20  Single Ambig)
 &rst
  ixpk= 1543, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=1602,1603,1604, 167, 168,
 igr2= 198, 199,
 &end
#
#    0 AMB  20-2:1550     0 AMB  20-1:1550   4.00    (#   1550:20  Double Ambig)
 &rst
  ixpk= 1550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=2273,2274,2275,2277,2278,2279,1061,1062,1063,1065,
      1066,1067,
 igr2= 529, 530, 529, 530,
 &end
#
#   33 LEU  MDX          33 LEU  HB-         4.00    (#   1552:20  Unique         2.02, 3.39 A)
 &rst
  ixpk= 1552, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 534, 535, 536, 538, 539, 540,
 igr2= 529, 530,
 &end
#
#   62 LEU  MDX          33 LEU  HB-         4.00    (#   1553:20  Unique         1.92, 3.36 A)
 &rst
  ixpk= 1553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1015,1016,1017,1019,1020,1021,
 igr2= 529, 530,
 &end
#
#   33 LEU  MDY          33 LEU  HB-         4.00    (#   1554:20  Unique         2.02, 3.39 A)
 &rst
  ixpk= 1554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 534, 535, 536, 538, 539, 540,
 igr2= 529, 530,
 &end
#
#    0 AMB  20-2:1561    17 LEU  HB-         4.00    (#   1561:20  Single Ambig)
 &rst
  ixpk= 1561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1504,1505,1506, 283, 284, 285, 287, 288, 289,
 igr2= 278, 279,
 &end
#
#   17 LEU  MDX          17 LEU  HB-         4.00    (#   1562:20  Unique         2.16, 3.48 A)
 &rst
  ixpk= 1562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 283, 284, 285, 287, 288, 289,
 igr2= 278, 279,
 &end
#
#   17 LEU  MDX          17 LEU  HB+         4.00    (#   1563:20  Unique         2.16, 3.48 A)
 &rst
  ixpk= 1563, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 283, 284, 285, 287, 288, 289,
 igr2= 278, 279,
 &end
#
#    0 AMB  20-2:1564     0 AMB  20-1:1564   3.00    (#   1564:20  Double Ambig)
 &rst
  ixpk= 1564, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1504,1505,1506, 283, 284, 285, 287, 288, 289,
 igr2= 278, 279, 278, 279,
 &end
#
#    0 AMB  20-2:1565     0 AMB  20-1:1565   5.00    (#   1565:20  Double Ambig)
 &rst
  ixpk= 1565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1495,1316,1317,
 igr2= 278, 279, 278, 279,
 &end
#
#  142 ARG  HA          142 ARG  HD+         3.00    (#   1578:20  Unique         2.21, 3.17 A)
 &rst
  ixpk= 1578, nxpk= 20, iat=2245,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2253,2254,
 &end
#
#  139 ARG  HA          142 ARG  HD+         4.00    (#   1579:20  Unique         4.26, 5.18 A)
 &rst
  ixpk= 1579, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2253,2254,
 &end
#
#  142 ARG  HB+         142 ARG  HD+         3.00    (#   1580:20  Unique         2.10, 3.21 A)
 &rst
  ixpk= 1580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2247,2248,
 igr2=2253,2254,
 &end
#
#    0 AMB  20-2:1581     0 AMB  20-1:1581   3.00    (#   1581:20  Double Ambig)
 &rst
  ixpk= 1581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2250,2251,2250,2251,
 igr2=2253,2254,2253,2254,
 &end
#
#    0 AMB  20-2:1582     0 AMB  20-1:1582   3.00    (#   1582:20  Double Ambig)
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2174,2175,2290,
 igr2=2253,2254,2253,2254,
 &end
#
#    0 AMB  20-2:1583    71 ARG  HD-         3.00    (#   1583:20  Single Ambig)
 &rst
  ixpk= 1583, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1149,1150,1152,1153,
 igr2=1155,1156,
 &end
#
#  111 VAL  MGY          71 ARG  HD-         3.00    (#   1584:20  Unique         1.99, 4.99 A)
 &rst
  ixpk= 1584, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1754,1755,1756,1758,1759,1760,
 igr2=1155,1156,
 &end
#
#    0 AMB  20-2:1590     0 AMB  20-1:1590   4.00    (#   1590:20  Double Ambig)
 &rst
  ixpk= 1590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1947,1948,1949,1951,1952,1953,  52,  53,  54,  56,
        57,  58,
 igr2=2002,2003,2002,2003,
 &end
#
#   76 LEU  MDY          76 LEU  HB-         3.00    (#   1595:20  Unique         2.05, 3.29 A)
 &rst
  ixpk= 1595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1228,1229,1230,1232,1233,1234,
 igr2=1223,1224,
 &end
#
#    0 AMB  20-2:1597     0 AMB  20-1:1597   6.00    (#   1597:20  Double Ambig)
 &rst
  ixpk= 1597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2314,2304,
 igr2=2253,2254,2253,2254,
 &end
#
#   71 ARG  HA           71 ARG  HD-         4.00    (#   1598:20  Unique         3.69, 4.43 A)
 &rst
  ixpk= 1598, nxpk= 20, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1155,1156,
 &end
#
#   38 SER  HB-          71 ARG  HD-         4.00    (#   1599:20  Unique         2.56, 5.04 A)
 &rst
  ixpk= 1599, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 628, 629,
 igr2=1155,1156,
 &end
#
#    0 AMB  20-2:1601   126 PHE  HB-         4.00    (#   1601:20  Single Ambig)
 &rst
  ixpk= 1601, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1947,1948,1949,1951,1952,1953,  52,  53,  54,  56,
        57,  58,
 igr2=2002,2003,
 &end
#
#   76 LEU  MDY          76 LEU  HB+         3.00    (#   1608:20  Unique         2.05, 3.29 A)
 &rst
  ixpk= 1608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1228,1229,1230,1232,1233,1234,
 igr2=1223,1224,
 &end
#
#   76 LEU  HA           76 LEU  HB-         6.00    (#   1610:20  Unique         2.20, 2.68 A)
 &rst
  ixpk= 1610, nxpk= 20, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1223,1224,
 &end
#
#    4 ARG  HA            4 ARG  HD+         3.00    (#   1612:20  Unique         2.29, 3.61 A)
 &rst
  ixpk= 1612, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  72,  73,
 &end
#
#    4 ARG  HB-           4 ARG  HD+         3.00    (#   1613:20  Unique         2.02, 3.07 A)
 &rst
  ixpk= 1613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  66,  67,
 igr2=  72,  73,
 &end
#
#    4 ARG  HB+           4 ARG  HD+         3.00    (#   1614:20  Unique         2.02, 3.07 A)
 &rst
  ixpk= 1614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  66,  67,
 igr2=  72,  73,
 &end
#
#    4 ARG  HG-           4 ARG  HD+         3.00    (#   1615:20  Unique         2.29, 2.76 A)
 &rst
  ixpk= 1615, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  69,  70,
 igr2=  72,  73,
 &end
#
#    4 ARG  HG+           4 ARG  HD+         3.00    (#   1616:20  Unique         2.29, 2.76 A)
 &rst
  ixpk= 1616, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  69,  70,
 igr2=  72,  73,
 &end
#
#    4 ARG  HA            4 ARG  HD-         3.00    (#   1617:20  Unique         2.29, 3.61 A)
 &rst
  ixpk= 1617, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  72,  73,
 &end
#
#    4 ARG  HB-           4 ARG  HD-         4.00    (#   1618:20  Unique         2.02, 3.07 A)
 &rst
  ixpk= 1618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  66,  67,
 igr2=  72,  73,
 &end
#
#    4 ARG  HB+           4 ARG  HD-         3.00    (#   1619:20  Unique         2.02, 3.07 A)
 &rst
  ixpk= 1619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  66,  67,
 igr2=  72,  73,
 &end
#
#    0 AMB  20-2:1624    75 ASP  HB-         6.00    (#   1624:20  Single Ambig)
 &rst
  ixpk= 1624, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1121,1122,1135,1136,
 igr2=1211,1212,
 &end
#
#    0 AMB  20-2:1630     0 AMB  20-1:1630   3.00    (#   1630:20  Double Ambig)
 &rst
  ixpk= 1630, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1257,1258, 725, 726,1138,1139,
 igr2= 231, 232, 734, 735, 231, 232,
 &end
#
#   80 LYS  HA           80 LYS  HE-         4.00    (#   1632:20  Unique         4.16, 5.49 A)
 &rst
  ixpk= 1632, nxpk= 20, iat=1273,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1284,1285,
 &end
#
#    0 AMB  20-2:1633    80 LYS  HE-         4.00    (#   1633:20  Single Ambig)
 &rst
  ixpk= 1633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 658, 659,1221, 637,
 igr2=1284,1285,
 &end
#
#   46 GLU  HA           45 LYS  HE+         4.00    (#   1634:20  Unique         7.95, 8.71 A)
 &rst
  ixpk= 1634, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 734, 735,
 &end
#
#    0 AMB  20-2:1637     0 AMB  20-1:1637   5.00    (#   1637:20  Double Ambig)
 &rst
  ixpk= 1637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1= 557, 558, 559,1536,1537,1538,1540,1541,1542,1836,
      1837,1838,1840,1841,1842,
 igr2=1850,1851,1211,1212,1850,1851,
 &end
#
#   70 PRO  HA           75 ASP  HB-         3.00    (#   1638:20  Unique         1.92, 2.66 A)
 &rst
  ixpk= 1638, nxpk= 20, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1211,1212,
 &end
#
#    0 AMB  20-2:1640     0 AMB  20-1:1640   3.00    (#   1640:20  Double Ambig)
 &rst
  ixpk= 1640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1149,1150, 554, 555, 504, 505,
 igr2=1211,1212,1850,1851,1850,1851,
 &end
#
#    7 MET  ME          117 PHE  HB+         3.00    (#   1641:20  Unique         1.98, 3.44 A)
 &rst
  ixpk= 1641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 128, 129, 130,
 igr2=1850,1851,
 &end
#
#    0 AMB  20-2:1644     0 AMB  20-1:1644   3.00    (#   1644:20  Double Ambig)
 &rst
  ixpk= 1644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1275,1276,1719,1720,1223,1224,
 igr2=1242,1243,1731,1732,
 &end
#
#  102 LEU  HG          102 LEU  HB-         5.00    (#   1658:20  Unique         2.24, 2.69 A)
 &rst
  ixpk= 1658, nxpk= 20, iat=1615,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1612,1613,
 &end
#
#  102 LEU  MDX         102 LEU  HB+         4.00    (#   1661:20  Unique         2.00, 3.35 A)
 &rst
  ixpk= 1661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2=1612,1613,
 &end
#
#    0 AMB  20-2:1664     0 AMB  20-1:1664   5.00    (#   1664:20  Double Ambig)
 &rst
  ixpk= 1664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 677,1750, 715, 716,
 igr2= 734, 735,1731,1732, 734, 735,
 &end
#
#   14 LYS  HA           14 LYS  HE+         4.00    (#   1666:20  Unique         2.03, 4.28 A)
 &rst
  ixpk= 1666, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 231, 232,
 &end
#
#    0 AMB  20-2:1668     0 AMB  20-1:1668   5.00    (#   1668:20  Double Ambig)
 &rst
  ixpk= 1668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1254,1255,1534,
 igr2= 231, 232, 231, 232,
 &end
#
#   96 VAL  MGX          14 LYS  HE+         3.00    (#   1669:20  Unique         1.93, 4.90 A)
 &rst
  ixpk= 1669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1536,1537,1538,1540,1541,1542,
 igr2= 231, 232,
 &end
#
#   39 ILE  QD1          80 LYS  HE-         3.00    (#   1671:20  Unique         1.95, 4.33 A)
 &rst
  ixpk= 1671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 648, 649, 650,
 igr2=1284,1285,
 &end
#
#   80 LYS  HD+          80 LYS  HE-         3.00    (#   1673:20  Unique         2.27, 2.70 A)
 &rst
  ixpk= 1673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1281,1282,
 igr2=1284,1285,
 &end
#
#   80 LYS  HG-          80 LYS  HE-         3.00    (#   1674:20  Unique         2.03, 3.37 A)
 &rst
  ixpk= 1674, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1278,1279,
 igr2=1284,1285,
 &end
#
#    0 AMB  20-2:1675     0 AMB  20-1:1675   3.00    (#   1675:20  Double Ambig)
 &rst
  ixpk= 1675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1902, 455, 456,
 igr2=1891,1892,1891,1892,
 &end
#
#  119 LYS  HG-         119 LYS  HE+         3.00    (#   1676:20  Unique         1.99, 3.18 A)
 &rst
  ixpk= 1676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1885,1886,
 igr2=1891,1892,
 &end
#
#  135 MET  HA          138 LYS  HE+         5.00    (#   1677:20  Unique         1.94, 4.06 A)
 &rst
  ixpk= 1677, nxpk= 20, iat=2118,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2180,2181,
 &end
#
#    0 AMB  20-2:1679     0 AMB  20-1:1679   3.00    (#   1679:20  Double Ambig)
 &rst
  ixpk= 1679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2171,2172,2081,2082,
 igr2=2180,2181,2107,2108,
 &end
#
#    0 AMB  20-2:1680     0 AMB  20-1:1680   3.00    (#   1680:20  Double Ambig)
 &rst
  ixpk= 1680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2177,2178,1882,1883,
 igr2=2180,2181,1891,1892,
 &end
#
#    0 AMB  20-2:1681     0 AMB  20-1:1681   3.00    (#   1681:20  Double Ambig)
 &rst
  ixpk= 1681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=2174,2175,2104,2105,
 igr2=2180,2181,2180,2181,2107,2108,
 &end
#
#   80 LYS  HB-          77 ASP  HB+         3.00    (#   1682:20  Unique         2.67, 4.47 A)
 &rst
  ixpk= 1682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1275,1276,
 igr2=1242,1243,
 &end
#
#   57 LYS  HG-          57 LYS  HE-         3.00    (#   1684:20  Unique         2.02, 3.55 A)
 &rst
  ixpk= 1684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 924, 925,
 igr2= 930, 931,
 &end
#
#   57 LYS  HG+          57 LYS  HE-         3.00    (#   1685:20  Unique         2.02, 3.55 A)
 &rst
  ixpk= 1685, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 924, 925,
 igr2= 930, 931,
 &end
#
#  144 LEU  MDX         144 LEU  HB+         3.00    (#   1690:20  Unique         1.94, 3.26 A)
 &rst
  ixpk= 1690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2292,2293,2294,2296,2297,2298,
 igr2=2287,2288,
 &end
#
#   26 LEU  HA           26 LEU  HB+         6.00    (#   1692:20  Unique         2.20, 2.59 A)
 &rst
  ixpk= 1692, nxpk= 20, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 419, 420,
 &end
#
#    0 AMB  20-2:1693     0 AMB  20-1:1693   3.00    (#   1693:20  Double Ambig)
 &rst
  ixpk= 1693, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 424, 425, 426, 428, 429, 430, 335, 336, 337, 339,
       340, 341,
 igr2= 419, 420, 419, 420,
 &end
#
#  128 ALA  MB          110 TYR  HB-         3.00    (#   1699:20  Unique         2.03, 4.01 A)
 &rst
  ixpk= 1699, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2039,2040,2041,
 igr2=1731,1732,
 &end
#
#    0 AMB  20-2:1701     0 AMB  20-1:1701   4.00    (#   1701:20  Double Ambig)
 &rst
  ixpk= 1701, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=2156,2157,2159,2160,1834,
 igr2=2107,2108,2107,2108,2199,2200,
 &end
#
#  139 ARG  HB+         139 ARG  HD-         3.00    (#   1702:20  Unique         2.15, 3.25 A)
 &rst
  ixpk= 1702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2193,2194,
 igr2=2199,2200,
 &end
#
#  116 VAL  MGX         139 ARG  HD-         5.00    (#   1703:20  Unique         2.85, 6.07 A)
 &rst
  ixpk= 1703, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1836,1837,1838,1840,1841,1842,
 igr2=2199,2200,
 &end
#
#    0 AMB  20-2:1705   134 LYS  HE-         4.00    (#   1705:20  Single Ambig)
 &rst
  ixpk= 1705, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=2156,2157,2159,2160,
 igr2=2107,2108,
 &end
#
#    0 AMB  20-2:1706     0 AMB  20-1:1706   3.00    (#   1706:20  Double Ambig)
 &rst
  ixpk= 1706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=2081,2082,2171,2172, 504, 505, 501, 502,2345,2346,
      
 igr2=2107,2108,2199,2200,1870,1871,1870,1871,1870,1871,
      
 &end
#
#  134 LYS  HD-         134 LYS  HE-         3.00    (#   1707:20  Unique         2.27, 2.73 A)
 &rst
  ixpk= 1707, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2104,2105,
 igr2=2107,2108,
 &end
#
#  141 ASN  HA          144 LEU  HB+         3.00    (#   1713:20  Unique         2.29, 3.38 A)
 &rst
  ixpk= 1713, nxpk= 20, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2287,2288,
 &end
#
#    0 AMB  20-2:1714     0 AMB  20-1:1714   3.00    (#   1714:20  Double Ambig)
 &rst
  ixpk= 1714, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 694,2285,2054,2055,
 igr2= 696, 697,2287,2288,
 &end
#
#  144 LEU  MDY         144 LEU  HB+         4.00    (#   1715:20  Unique         1.94, 3.26 A)
 &rst
  ixpk= 1715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2292,2293,2294,2296,2297,2298,
 igr2=2287,2288,
 &end
#
#    0 AMB  20-2:1716     0 AMB  20-1:1716   3.00    (#   1716:20  Double Ambig)
 &rst
  ixpk= 1716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 694,2054,2055,
 igr2= 696, 697, 696, 697,
 &end
#
#   43 LEU  MDY          43 LEU  HB+         3.00    (#   1718:20  Unique         2.12, 3.38 A)
 &rst
  ixpk= 1718, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 701, 702, 703, 705, 706, 707,
 igr2= 696, 697,
 &end
#
#  144 LEU  HA          144 LEU  HB-         3.00    (#   1719:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 1719, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2287,2288,
 &end
#
#  141 ASN  HA          144 LEU  HB-         4.00    (#   1720:20  Unique         2.29, 3.38 A)
 &rst
  ixpk= 1720, nxpk= 20, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2287,2288,
 &end
#
#  144 LEU  MDY         144 LEU  HB-         3.00    (#   1721:20  Unique         1.94, 3.26 A)
 &rst
  ixpk= 1721, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2292,2293,2294,2296,2297,2298,
 igr2=2287,2288,
 &end
#
#  118 ASP  HA          118 ASP  HB-         4.00    (#   1722:20  Unique         2.31, 2.73 A)
 &rst
  ixpk= 1722, nxpk= 20, iat=1868,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1870,1871,
 &end
#
#  123 LEU  MDY         115 TYR  HB-         4.00    (#   1724:20  Unique         1.94, 4.09 A)
 &rst
  ixpk= 1724, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1947,1948,1949,1951,1952,1953,
 igr2=1813,1814,
 &end
#
#    0 AMB  20-2:1725     0 AMB  20-1:1725   4.00    (#   1725:20  Double Ambig)
 &rst
  ixpk= 1725, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2156,2157, 548,
 igr2=2107,2108,1813,1814,
 &end
#
#   34 ILE  QD1         115 TYR  HB+         6.00    (#   1726:20  Unique         2.74, 5.40 A)
 &rst
  ixpk= 1726, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 557, 558, 559,
 igr2=1813,1814,
 &end
#
#  123 LEU  MDY         115 TYR  HB+         4.00    (#   1728:20  Unique         1.94, 4.09 A)
 &rst
  ixpk= 1728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1947,1948,1949,1951,1952,1953,
 igr2=1813,1814,
 &end
#
#  139 ARG  HA          139 ARG  HD-         3.00    (#   1729:20  Unique         1.98, 2.99 A)
 &rst
  ixpk= 1729, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2199,2200,
 &end
#
#    0 AMB  20-2:1731     0 AMB  20-1:1731   5.00    (#   1731:20  Double Ambig)
 &rst
  ixpk= 1731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=2104,2105,2196,2197,
 igr2=2107,2108,2199,2200,
 &end
#
#  139 ARG  HA          139 ARG  HD+         3.00    (#   1732:20  Unique         1.98, 2.99 A)
 &rst
  ixpk= 1732, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2199,2200,
 &end
#
#    0 AMB  20-2:1733     0 AMB  20-1:1733   4.00    (#   1733:20  Double Ambig)
 &rst
  ixpk= 1733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1906,1907,1908,2193,2194,
 igr2=1870,1871,2199,2200,
 &end
#
#    0 AMB  20-2:1734     0 AMB  20-1:1734   4.00    (#   1734:20  Double Ambig)
 &rst
  ixpk= 1734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=2104,2105,2196,2197,
 igr2=2107,2108,2199,2200,
 &end
#
#    0 AMB  20-2:1737     0 AMB  20-1:1737   3.00    (#   1737:20  Double Ambig)
 &rst
  ixpk= 1737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 701, 702, 703, 705, 706, 707,  52,  53,  54,  56,
        57,  58,
 igr2= 696, 697,  47,  48,
 &end
#
#    3 LEU  HA            3 LEU  HB+         4.00    (#   1738:20  Unique         2.23, 2.71 A)
 &rst
  ixpk= 1738, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  47,  48,
 &end
#
#    3 LEU  MDX           3 LEU  HB-         3.00    (#   1740:20  Unique         2.18, 3.31 A)
 &rst
  ixpk= 1740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=  52,  53,  54,  56,  57,  58,
 igr2=  47,  48,
 &end
#
#    0 AMB  20-2:1741     0 AMB  20-1:1741   3.00    (#   1741:20  Double Ambig)
 &rst
  ixpk= 1741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=2292,2293,2294,2296,2297,2298,  52,  53,  54,  56,
        57,  58,
 igr2=2287,2288,  47,  48,
 &end
#
#    3 LEU  HA            3 LEU  HB-         3.00    (#   1742:20  Unique         2.23, 2.71 A)
 &rst
  ixpk= 1742, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  47,  48,
 &end
#
#  106 PHE  HB+         108 ASN  HB+         5.00    (#   1755:20  Unique         5.39, 7.12 A)
 &rst
  ixpk= 1755, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1667,1668,
 igr2=1702,1703,
 &end
#
#    0 AMB  20-2:1756     0 AMB  20-1:1756   5.00    (#   1756:20  Double Ambig)
 &rst
  ixpk= 1756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1667,1668,1573,1574,
 igr2=1702,1703,1702,1703,
 &end
#
#  123 LEU  HG          123 LEU  HB-         6.00    (#   1758:20  Unique         2.24, 2.69 A)
 &rst
  ixpk= 1758, nxpk= 20, iat=1945,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1942,1943,
 &end
#
#    0 AMB  20-2:1759   123 LEU  HB-         4.00    (#   1759:20  Single Ambig)
 &rst
  ixpk= 1759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1947,1948,1949,1951,1952,1953,  52,  53,  54,  56,
        57,  58,
 igr2=1942,1943,
 &end
#
#  123 LEU  MDY         123 LEU  HB-         5.00    (#   1760:20  Unique         2.03, 3.35 A)
 &rst
  ixpk= 1760, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1947,1948,1949,1951,1952,1953,
 igr2=1942,1943,
 &end
#
#   60 ASP  HA           60 ASP  HB+         3.00    (#   1762:20  Unique         2.35, 2.86 A)
 &rst
  ixpk= 1762, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 981, 982,
 &end
#
#   60 ASP  HA           60 ASP  HB-         3.00    (#   1764:20  Unique         2.35, 2.86 A)
 &rst
  ixpk= 1764, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 981, 982,
 &end
#
#   74 ASP  HA           74 ASP  HB+         3.00    (#   1767:20  Unique         2.39, 2.81 A)
 &rst
  ixpk= 1767, nxpk= 20, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1199,1200,
 &end
#
#   74 ASP  HA           74 ASP  HB-         3.00    (#   1768:20  Unique         2.39, 2.81 A)
 &rst
  ixpk= 1768, nxpk= 20, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1199,1200,
 &end
#
#  108 ASN  HA          108 ASN  HB-         6.00    (#   1772:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 1772, nxpk= 20, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1702,1703,
 &end
#
#   32 THR  MG2          63 ASN  HB-         5.00    (#   1774:20  Unique         1.96, 3.64 A)
 &rst
  ixpk= 1774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 517, 518, 519,
 igr2=1029,1030,
 &end
#
#   61 GLN  HG-          60 ASP  HB+         5.00    (#   1775:20  Unique         2.29, 4.29 A)
 &rst
  ixpk= 1775, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 996, 997,
 igr2= 981, 982,
 &end
#
#   61 GLN  HG-          60 ASP  HB-         6.00    (#   1776:20  Unique         2.29, 4.29 A)
 &rst
  ixpk= 1776, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 996, 997,
 igr2= 981, 982,
 &end
#
#   32 THR  MG2          63 ASN  HB+         5.00    (#   1777:20  Unique         1.96, 3.64 A)
 &rst
  ixpk= 1777, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 517, 518, 519,
 igr2=1029,1030,
 &end
#
#  136 LEU  MDY         136 LEU  HB-         4.00    (#   1778:20  Unique         2.18, 3.43 A)
 &rst
  ixpk= 1778, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2142,2143,2144,2146,2147,2148,
 igr2=2137,2138,
 &end
#
#  136 LEU  MDY         136 LEU  HB+         4.00    (#   1780:20  Unique         2.18, 3.43 A)
 &rst
  ixpk= 1780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2142,2143,2144,2146,2147,2148,
 igr2=2137,2138,
 &end
#
#  136 LEU  MDX         136 LEU  HB+         5.00    (#   1782:20  Unique         2.18, 3.43 A)
 &rst
  ixpk= 1782, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2142,2143,2144,2146,2147,2148,
 igr2=2137,2138,
 &end
#
#   26 LEU  MDX          63 ASN  HB-         5.00    (#   1783:20  Unique         1.97, 4.34 A)
 &rst
  ixpk= 1783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 424, 425, 426, 428, 429, 430,
 igr2=1029,1030,
 &end
#
#  124 ARG  HG+         124 ARG  HD-         6.00    (#   1784:20  Unique         2.27, 2.75 A)
 &rst
  ixpk= 1784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1964,1965,
 igr2=1967,1968,
 &end
#
#   26 LEU  MDX          63 ASN  HB+         4.00    (#   1789:20  Unique         1.97, 4.34 A)
 &rst
  ixpk= 1789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 424, 425, 426, 428, 429, 430,
 igr2=1029,1030,
 &end
#
#    0 AMB  20-2:1790     0 AMB  20-1:1790   4.00    (#   1790:20  Double Ambig)
 &rst
  ixpk= 1790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 554, 555, 188, 189, 190, 318, 319, 138, 139,
 igr2= 167, 168, 167, 168, 167, 168, 167, 168,
 &end
#
#    0 AMB  20-2:1794     0 AMB  20-1:1794   5.00    (#   1794:20  Double Ambig)
 &rst
  ixpk= 1794, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50,
 igr1= 107, 108, 107, 108, 504, 505, 501, 502,
 igr2=1967,1968,1967,1968,1967,1968,1967,1968,
 &end
#
#   53 GLU  HA           56 ASP  HB-         5.00    (#   1796:20  Unique         2.39, 3.94 A)
 &rst
  ixpk= 1796, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 909, 910,
 &end
#
#    0 AMB  20-2:1797     0 AMB  20-1:1797   5.00    (#   1797:20  Double Ambig)
 &rst
  ixpk= 1797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.38, r4=10.88,
 igr1=  15,  16,  17,1657,1658,1659, 885, 886, 921, 922,
      
 igr2=1667,1668,1667,1668, 909, 910,1645,1646,
 &end
#
#    0 AMB  20-2:1798     0 AMB  20-1:1798   6.00    (#   1798:20  Double Ambig)
 &rst
  ixpk= 1798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1665,   6,
 igr2=1667,1668,1667,1668,
 &end
#
#  115 TYR  HB-          34 ILE  HB          6.00    (#   1801:20  Unique         2.69, 4.04 A)
 &rst
  ixpk= 1801, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1813,1814,
 &end
#
#  115 TYR  HB+          34 ILE  HB          5.00    (#   1802:20  Unique         2.69, 4.04 A)
 &rst
  ixpk= 1802, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1813,1814,
 &end
#
#   27 ILE  HA           27 ILE  HB          4.00    (#   1804:20  Unique         3.00, 3.01 A)
 &rst
  ixpk= 1804, nxpk= 20, iat= 436, 438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 ILE  HG1-         27 ILE  HB          3.00    (#   1805:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 1805, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 444, 445,
 &end
#
#   27 ILE  QG2          27 ILE  HB          3.00    (#   1806:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 1806, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 440, 441, 442,
 &end
#
#   27 ILE  HG1+         27 ILE  HB          4.00    (#   1808:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 1808, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 444, 445,
 &end
#
#   10 LEU  MDX          10 LEU  HB-         4.00    (#   1809:20  Unique         1.98, 3.46 A)
 &rst
  ixpk= 1809, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 172, 173, 174, 176, 177, 178,
 igr2= 167, 168,
 &end
#
#    0 AMB  20-2:1812    89 ASP  HB-         3.00    (#   1812:20  Single Ambig)
 &rst
  ixpk= 1812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1417, 834,
 igr2=1419,1420,
 &end
#
#  101 ALA  HA          104 ASP  HB-         4.00    (#   1813:20  Unique         2.50, 4.11 A)
 &rst
  ixpk= 1813, nxpk= 20, iat=1600,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1645,1646,
 &end
#
#  104 ASP  HA          104 ASP  HB+         3.00    (#   1815:20  Unique         2.51, 2.81 A)
 &rst
  ixpk= 1815, nxpk= 20, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1645,1646,
 &end
#
#  101 ALA  HA          104 ASP  HB+         4.00    (#   1817:20  Unique         2.50, 4.11 A)
 &rst
  ixpk= 1817, nxpk= 20, iat=1600,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1645,1646,
 &end
#
#    0 AMB  20-2:1819     0 AMB  20-1:1819   3.00    (#   1819:20  Double Ambig)
 &rst
  ixpk= 1819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1417, 834,
 igr2=1419,1420,1419,1420,
 &end
#
#   34 ILE  HG1+         34 ILE  HB          4.00    (#   1821:20  Unique         2.49, 2.79 A)
 &rst
  ixpk= 1821, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 554, 555,
 &end
#
#   34 ILE  QG2          34 ILE  HB          3.00    (#   1822:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 1822, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 550, 551, 552,
 &end
#
#    0 AMB  20-2:1823     0 AMB  20-1:1823   3.00    (#   1823:20  Double Ambig)
 &rst
  ixpk= 1823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 557, 558, 559, 172, 173, 174, 176, 177, 178,
 igr2= 548, 167, 168,
 &end
#
#    0 AMB  20-2:1824   104 ASP  HB-         5.00    (#   1824:20  Single Ambig)
 &rst
  ixpk= 1824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1657,1658,1659, 141, 142,
 igr2=1645,1646,
 &end
#
#   39 ILE  HA           39 ILE  HB          3.00    (#   1834:20  Unique         2.24, 2.30 A)
 &rst
  ixpk= 1834, nxpk= 20, iat= 637, 639, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1835    39 ILE  HB          3.00    (#   1835:20  Single Ambig)
 &rst
  ixpk= 1835, nxpk= 20, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1355,1356,1357, 645, 646,
 &end
#
#   39 ILE  HG1+         39 ILE  HB          5.00    (#   1836:20  Unique         2.37, 2.76 A)
 &rst
  ixpk= 1836, nxpk= 20, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 645, 646,
 &end
#
#   39 ILE  QG2          39 ILE  HB          3.00    (#   1837:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 1837, nxpk= 20, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 641, 642, 643,
 &end
#
#   39 ILE  QD1          39 ILE  HB          3.00    (#   1838:20  Unique         2.28, 3.06 A)
 &rst
  ixpk= 1838, nxpk= 20, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 648, 649, 650,
 &end
#
#  141 ASN  HA          141 ASN  HB-         3.00    (#   1850:20  Unique         2.35, 2.70 A)
 &rst
  ixpk= 1850, nxpk= 20, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2233,2234,
 &end
#
#   62 LEU  MDY          58 TYR  HB-         6.00    (#   1851:20  Unique         1.92, 4.72 A)
 &rst
  ixpk= 1851, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1015,1016,1017,1019,1020,1021,
 igr2= 943, 944,
 &end
#
#  138 LYS  HA          141 ASN  HB-         4.00    (#   1852:20  Unique         2.91, 4.39 A)
 &rst
  ixpk= 1852, nxpk= 20, iat=2169,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2233,2234,
 &end
#
#    0 AMB  20-2:1855     0 AMB  20-1:1855   5.00    (#   1855:20  Double Ambig)
 &rst
  ixpk= 1855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=1015,1016,1017,1019,1020,1021,2219,2220,2221,2223,
      2224,2225,
 igr2= 943, 944, 943, 944,
 &end
#
#  141 ASN  HA          141 ASN  HB+         3.00    (#   1856:20  Unique         2.35, 2.70 A)
 &rst
  ixpk= 1856, nxpk= 20, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2233,2234,
 &end
#
#    0 AMB  20-2:1857     0 AMB  20-1:1857   4.00    (#   1857:20  Double Ambig)
 &rst
  ixpk= 1857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1010,1011, 993, 994,
 igr2= 943, 944, 943, 944,
 &end
#
#  138 LYS  HA          141 ASN  HB+         4.00    (#   1858:20  Unique         2.91, 4.39 A)
 &rst
  ixpk= 1858, nxpk= 20, iat=2169,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2233,2234,
 &end
#
#   81 ILE  HG1+         81 ILE  HB          4.00    (#   1860:20  Unique         2.47, 2.82 A)
 &rst
  ixpk= 1860, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1303,1304,
 &end
#
#   81 ILE  QG2          81 ILE  HB          3.00    (#   1861:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 1861, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1299,1300,1301,
 &end
#
#   81 ILE  QD1          81 ILE  HB          4.00    (#   1862:20  Unique         1.98, 2.88 A)
 &rst
  ixpk= 1862, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1306,1307,1308,
 &end
#
#   54 PHE  HA           54 PHE  HB-         4.00    (#   1865:20  Unique         2.42, 2.83 A)
 &rst
  ixpk= 1865, nxpk= 20, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 865, 866,
 &end
#
#    0 AMB  20-2:1868    58 TYR  HB-         4.00    (#   1868:20  Single Ambig)
 &rst
  ixpk= 1868, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1010,1011, 993, 994,
 igr2= 943, 944,
 &end
#
#   54 PHE  HA           54 PHE  HB+         4.00    (#   1869:20  Unique         2.42, 2.83 A)
 &rst
  ixpk= 1869, nxpk= 20, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 865, 866,
 &end
#
#    0 AMB  20-2:1871     0 AMB  20-1:1871   5.00    (#   1871:20  Double Ambig)
 &rst
  ixpk= 1871, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
 igr1= 924, 925,2219,2220,2221,2223,2224,2225,
 igr2= 865, 866, 865, 866,
 &end
#
#   78 PRO  HA           81 ILE  HB          4.00    (#   1872:20  Unique         2.24, 2.50 A)
 &rst
  ixpk= 1872, nxpk= 20, iat=1260,1297, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1873    81 ILE  HB          6.00    (#   1873:20  Single Ambig)
 &rst
  ixpk= 1873, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 283, 284, 285, 287, 288, 289,1536,1537,1538,1540,
      1541,1542,
 &end
#
#   24 GLU  HA           24 GLU  HG-         3.00    (#   1875:20  Unique         3.54, 3.79 A)
 &rst
  ixpk= 1875, nxpk= 20, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 390, 391,
 &end
#
#    0 AMB  20-2:1879     0 AMB  20-1:1879   3.00    (#   1879:20  Double Ambig)
 &rst
  ixpk= 1879, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 834, 795,
 igr2= 836, 837, 836, 837,
 &end
#
#   24 GLU  HB+          24 GLU  HG-         3.00    (#   1880:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 1880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 387, 388,
 igr2= 390, 391,
 &end
#
#   18 ASN  HA           18 ASN  HB+         3.00    (#   1884:20  Unique         2.32, 2.78 A)
 &rst
  ixpk= 1884, nxpk= 20, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 297, 298,
 &end
#
#  146 GLU  HA          146 GLU  HG-         4.00    (#   1886:20  Unique         2.24, 3.41 A)
 &rst
  ixpk= 1886, nxpk= 20, iat=2314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2319,2320,
 &end
#
#  146 GLU  HB-         146 GLU  HG-         3.00    (#   1888:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 1888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2316,2317,
 igr2=2319,2320,
 &end
#
#   57 LYS  HE-          53 GLU  HG+         3.00    (#   1889:20  Unique         1.94, 5.35 A)
 &rst
  ixpk= 1889, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 930, 931,
 igr2= 853, 854,
 &end
#
#  148 GLU  HB-         148 GLU  HG+         3.00    (#   1891:20  Unique         2.27, 2.71 A)
 &rst
  ixpk= 1891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2345,2346,
 igr2=2348,2349,
 &end
#
#   18 ASN  HA           18 ASN  HB-         6.00    (#   1894:20  Unique         2.32, 2.78 A)
 &rst
  ixpk= 1894, nxpk= 20, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 297, 298,
 &end
#
#  143 VAL  HA          146 GLU  HG-         4.00    (#   1895:20  Unique         1.98, 2.94 A)
 &rst
  ixpk= 1895, nxpk= 20, iat=2269,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2319,2320,
 &end
#
#   53 GLU  HA           53 GLU  HG+         3.00    (#   1897:20  Unique         2.95, 3.66 A)
 &rst
  ixpk= 1897, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 853, 854,
 &end
#
#  146 GLU  HA          146 GLU  HG+         3.00    (#   1899:20  Unique         2.24, 3.41 A)
 &rst
  ixpk= 1899, nxpk= 20, iat=2314,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2319,2320,
 &end
#
#    9 GLU  HA            9 GLU  HG+         4.00    (#   1900:20  Unique         2.04, 3.01 A)
 &rst
  ixpk= 1900, nxpk= 20, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 155, 156,
 &end
#
#    0 AMB  20-2:1903     0 AMB  20-1:1903   4.00    (#   1903:20  Double Ambig)
 &rst
  ixpk= 1903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1= 479, 480, 141, 142,1657,1658,1659,
 igr2= 467, 468, 155, 156, 155, 156,
 &end
#
#  119 LYS  HD+          29 GLU  HG-         3.00    (#   1905:20  Unique         2.57, 4.63 A)
 &rst
  ixpk= 1905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1888,1889,
 igr2= 467, 468,
 &end
#
#  119 LYS  HD-          29 GLU  HG-         4.00    (#   1906:20  Unique         2.57, 4.63 A)
 &rst
  ixpk= 1906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1888,1889,
 igr2= 467, 468,
 &end
#
#   46 GLU  HA           46 GLU  HG-         3.00    (#   1908:20  Unique         2.56, 3.24 A)
 &rst
  ixpk= 1908, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 750, 751,
 &end
#
#  148 GLU  HA          148 GLU  HG+         3.00    (#   1909:20  Unique         1.98, 3.03 A)
 &rst
  ixpk= 1909, nxpk= 20, iat=2343,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2348,2349,
 &end
#
#   46 GLU  HA           46 GLU  HG+         3.00    (#   1910:20  Unique         2.56, 3.24 A)
 &rst
  ixpk= 1910, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 750, 751,
 &end
#
#    0 AMB  20-2:1911     0 AMB  20-1:1911   3.00    (#   1911:20  Double Ambig)
 &rst
  ixpk= 1911, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 848,2118,
 igr2= 853, 854,2159,2160,
 &end
#
#   53 GLU  HB+          53 GLU  HG-         3.00    (#   1912:20  Unique         2.34, 2.78 A)
 &rst
  ixpk= 1912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 850, 851,
 igr2= 853, 854,
 &end
#
#    0 AMB  20-2:1915    65 VAL  HB          4.00    (#   1915:20  Single Ambig)
 &rst
  ixpk= 1915, nxpk= 20, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 554, 555, 517, 518, 519,1045,1046,1047,1049,1050,
      1051,
 &end
#
#   65 VAL  MGX          65 VAL  HB          3.00    (#   1916:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 1916, nxpk= 20, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1061,1062,1063,1065,1066,1067,
 &end
#
#   65 VAL  HA           65 VAL  HB          5.00    (#   1917:20  Unique         2.25, 2.31 A)
 &rst
  ixpk= 1917, nxpk= 20, iat=1057,1059, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 ILE  QG2          65 VAL  HB          5.00    (#   1918:20  Unique         3.85, 4.94 A)
 &rst
  ixpk= 1918, nxpk= 20, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 550, 551, 552,
 &end
#
#  107 GLU  HB+         109 GLU  HG-         3.00    (#   1919:20  Unique         3.85, 6.69 A)
 &rst
  ixpk= 1919, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1687,1688,
 igr2=1719,1720,
 &end
#
#   30 LYS  HE+          29 GLU  HG-         4.00    (#   1927:20  Unique         1.96, 5.27 A)
 &rst
  ixpk= 1927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 488, 489,
 igr2= 467, 468,
 &end
#
#    0 AMB  20-2:1928     0 AMB  20-1:1928   4.00    (#   1928:20  Double Ambig)
 &rst
  ixpk= 1928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 188, 189, 190, 138, 139,
 igr2= 155, 156, 155, 156,
 &end
#
#   30 LYS  HE+          29 GLU  HG-         3.00    (#   1930:20  Unique         1.96, 5.27 A)
 &rst
  ixpk= 1930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 488, 489,
 igr2= 467, 468,
 &end
#
#   29 GLU  HA           29 GLU  HG-         3.00    (#   1931:20  Unique         2.20, 3.08 A)
 &rst
  ixpk= 1931, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 467, 468,
 &end
#
#   30 LYS  HG+          29 GLU  HG-         5.00    (#   1932:20  Unique         2.00, 3.82 A)
 &rst
  ixpk= 1932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 482, 483,
 igr2= 467, 468,
 &end
#
#    0 AMB  20-2:1934     9 GLU  HG-         4.00    (#   1934:20  Single Ambig)
 &rst
  ixpk= 1934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 188, 189, 190, 138, 139,
 igr2= 155, 156,
 &end
#
#   43 LEU  MDX          46 GLU  HG-         5.00    (#   1936:20  Unique         2.62, 5.79 A)
 &rst
  ixpk= 1936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 701, 702, 703, 705, 706, 707,
 igr2= 750, 751,
 &end
#
#  137 GLU  HA          137 GLU  HG-         3.00    (#   1940:20  Unique         2.15, 2.87 A)
 &rst
  ixpk= 1940, nxpk= 20, iat=2154,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2159,2160,
 &end
#
#   30 LYS  HG+          29 GLU  HG+         4.00    (#   1941:20  Unique         2.00, 3.82 A)
 &rst
  ixpk= 1941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 482, 483,
 igr2= 467, 468,
 &end
#
#   29 GLU  HA           29 GLU  HG+         3.00    (#   1942:20  Unique         2.20, 3.08 A)
 &rst
  ixpk= 1942, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 467, 468,
 &end
#
#  137 GLU  HA          137 GLU  HG+         4.00    (#   1943:20  Unique         2.15, 2.87 A)
 &rst
  ixpk= 1943, nxpk= 20, iat=2154,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2159,2160,
 &end
#
#  109 GLU  HA          109 GLU  HG-         3.00    (#   1946:20  Unique         2.00, 2.72 A)
 &rst
  ixpk= 1946, nxpk= 20, iat=1714,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1719,1720,
 &end
#
#  109 GLU  HB-         109 GLU  HG-         3.00    (#   1949:20  Unique         2.27, 2.75 A)
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1716,1717,
 igr2=1719,1720,
 &end
#
#   69 MET  HG+          69 MET  HB+         4.00    (#   1950:20  Unique         2.27, 2.68 A)
 &rst
  ixpk= 1950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1121,1122,
 igr2=1118,1119,
 &end
#
#    0 AMB  20-2:1951     0 AMB  20-1:1951   5.00    (#   1951:20  Double Ambig)
 &rst
  ixpk= 1951, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.66, r4= 9.16,
 igr1=1754,1755,1756,1758,1759,1760,1504,1505,1506,
 igr2=1118,1119,1431,
 &end
#
#    0 AMB  20-2:1952     0 AMB  20-1:1952   4.00    (#   1952:20  Double Ambig)
 &rst
  ixpk= 1952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1754,1755,1756,1758,1759,1760, 822, 823, 824, 826,
       827, 828,
 igr2=1118,1119,1431,
 &end
#
#   90 ILE  QD1          90 ILE  HB          4.00    (#   1954:20  Unique         2.19, 3.22 A)
 &rst
  ixpk= 1954, nxpk= 20, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1440,1441,1442,
 &end
#
#  109 GLU  HA          109 GLU  HG+         3.00    (#   1957:20  Unique         2.00, 2.72 A)
 &rst
  ixpk= 1957, nxpk= 20, iat=1714,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1719,1720,
 &end
#
#    0 AMB  20-2:1966     0 AMB  20-1:1966   5.00    (#   1966:20  Double Ambig)
 &rst
  ixpk= 1966, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.72, r4=10.22,
 igr1= 762, 763, 764,1377,1378,1379,1355,1356,1357,
 igr2= 806, 807,1390,1391,1390,1391,
 &end
#
#   84 THR  HA           87 GLU  HG-         4.00    (#   1968:20  Unique         3.27, 4.43 A)
 &rst
  ixpk= 1968, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1390,1391,
 &end
#
#   90 ILE  HA           90 ILE  HB          4.00    (#   1970:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1970, nxpk= 20, iat=1429,1431, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 ILE  QG2          90 ILE  HB          4.00    (#   1972:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 1972, nxpk= 20, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1433,1434,1435,
 &end
#
#  109 GLU  HB-         109 GLU  HG+         3.00    (#   1973:20  Unique         2.27, 2.75 A)
 &rst
  ixpk= 1973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1716,1717,
 igr2=1719,1720,
 &end
#
#    0 AMB  20-2:1978     0 AMB  20-1:1978   3.00    (#   1978:20  Double Ambig)
 &rst
  ixpk= 1978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 801,1385,
 igr2= 806, 807,1390,1391,
 &end
#
#   50 GLN  HA           50 GLN  HG+         3.00    (#   1979:20  Unique         2.04, 2.93 A)
 &rst
  ixpk= 1979, nxpk= 20, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 806, 807,
 &end
#
#   87 GLU  HA           87 GLU  HG-         3.00    (#   1980:20  Unique         2.25, 2.90 A)
 &rst
  ixpk= 1980, nxpk= 20, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1390,1391,
 &end
#
#   31 PRO  HD+          30 LYS  HB+         4.00    (#   1981:20  Unique         1.85, 3.14 A)
 &rst
  ixpk= 1981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 498, 499,
 igr2= 479, 480,
 &end
#
#    0 AMB  20-2:1982     0 AMB  20-1:1982   4.00    (#   1982:20  Double Ambig)
 &rst
  ixpk= 1982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 402, 403, 467, 468,
 igr2= 333, 479, 480,
 &end
#
#   21 VAL  MGX          21 VAL  HB          3.00    (#   1983:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 1983, nxpk= 20, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  20-2:1985     0 AMB  20-1:1985   3.00    (#   1985:20  Double Ambig)
 &rst
  ixpk= 1985, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=  11,  12,  11,  12,  93,  94,
 igr2=   8,   9,   8,   9,   8,   9,
 &end
#
#   31 PRO  HD-          30 LYS  HB+         4.00    (#   1986:20  Unique         1.85, 3.14 A)
 &rst
  ixpk= 1986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 498, 499,
 igr2= 479, 480,
 &end
#
#   37 TRP  HB-         112 PRO  HB+         5.00    (#   1987:20  Unique         3.27, 5.05 A)
 &rst
  ixpk= 1987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 604, 605,
 igr2=1771,1772,
 &end
#
#    0 AMB  20-2:1990     0 AMB  20-1:1990   3.00    (#   1990:20  Double Ambig)
 &rst
  ixpk= 1990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 485, 486, 482, 483,
 igr2= 479, 480, 479, 480,
 &end
#
#   37 TRP  HB-         112 PRO  HB+         6.00    (#   1991:20  Unique         3.27, 5.05 A)
 &rst
  ixpk= 1991, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 604, 605,
 igr2=1771,1772,
 &end
#
#    0 AMB  20-2:1992     1 MET  HB-         4.00    (#   1992:20  Single Ambig)
 &rst
  ixpk= 1992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=   6,1665,
 igr2=   8,   9,
 &end
#
#   21 VAL  HA           21 VAL  HB          3.00    (#   1993:20  Unique         2.29, 2.50 A)
 &rst
  ixpk= 1993, nxpk= 20, iat= 331, 333, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1994    20 GLU  HG-         4.00    (#   1994:20  Single Ambig)
 &rst
  ixpk= 1994, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1514,1515, 254, 255,
 igr2= 321, 322,
 &end
#
#   20 GLU  HB-          20 GLU  HG-         3.00    (#   1995:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 1995, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 318, 319,
 igr2= 321, 322,
 &end
#
#    0 AMB  20-2:1998   112 PRO  HB-         4.00    (#   1998:20  Single Ambig)
 &rst
  ixpk= 1998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2081,2082,1149,1150,2022,2023,
 igr2=1771,1772,
 &end
#
#    0 AMB  20-2:2000     0 AMB  20-1:2000   3.00    (#   2000:20  Double Ambig)
 &rst
  ixpk= 2000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1750, 715, 716,
 igr2=1752,1771,1772,
 &end
#
#    0 AMB  20-2:2001     0 AMB  20-1:2001   3.00    (#   2001:20  Double Ambig)
 &rst
  ixpk= 2001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1947,1948,1949,1951,1952,1953,1754,1755,1756,1758,
      1759,1760,
 igr2=   8,   9,1752,
 &end
#
#    0 AMB  20-2:2002     1 MET  HB-         3.00    (#   2002:20  Single Ambig)
 &rst
  ixpk= 2002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=  11,  12,  11,  12,  93,  94,
 igr2=   8,   9,
 &end
#
#    0 AMB  20-2:2004     0 AMB  20-1:2004   6.00    (#   2004:20  Double Ambig)
 &rst
  ixpk= 2004, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 107, 108, 107, 108, 554, 555,
 igr2= 121, 122, 121, 122, 121, 122,
 &end
#
#    0 AMB  20-2:2006     0 AMB  20-1:2006   4.00    (#   2006:20  Double Ambig)
 &rst
  ixpk= 2006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=1514,1515, 254, 255, 316,
 igr2= 321, 322, 321, 322, 321, 322,
 &end
#
#    0 AMB  20-2:2007     0 AMB  20-1:2007   5.00    (#   2007:20  Double Ambig)
 &rst
  ixpk= 2007, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1514,1515, 363, 364,
 igr2= 321, 322, 121, 122,
 &end
#
#   20 GLU  HB-          20 GLU  HG+         3.00    (#   2008:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 2008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 318, 319,
 igr2= 321, 322,
 &end
#
#   61 GLN  HA           61 GLN  HG+         3.00    (#   2016:20  Unique         2.25, 2.71 A)
 &rst
  ixpk= 2016, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 996, 997,
 &end
#
#    0 AMB  20-2:2017     0 AMB  20-1:2017   6.00    (#   2017:20  Double Ambig)
 &rst
  ixpk= 2017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1940,  64,
 igr2=1928,1929,1928,1929,
 &end
#
#   60 ASP  HB-          61 GLN  HG+         6.00    (#   2021:20  Unique         2.29, 4.29 A)
 &rst
  ixpk= 2021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 981, 982,
 igr2= 996, 997,
 &end
#
#   61 GLN  HB-          61 GLN  HG+         3.00    (#   2022:20  Unique         2.27, 2.77 A)
 &rst
  ixpk= 2022, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 993, 994,
 igr2= 996, 997,
 &end
#
#    0 AMB  20-2:2023     0 AMB  20-1:2023   4.00    (#   2023:20  Double Ambig)
 &rst
  ixpk= 2023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=2292,2293,2294,2296,2297,2298,1015,1016,1017,1019,
      1020,1021,
 igr2= 996, 997, 996, 997,
 &end
#
#    0 AMB  20-2:2026   122 GLN  HG-         3.00    (#   2026:20  Single Ambig)
 &rst
  ixpk= 2026, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1964,1965,1925,1926,
 igr2=1928,1929,
 &end
#
#   61 GLN  HA           61 GLN  HG-         4.00    (#   2027:20  Unique         2.25, 2.71 A)
 &rst
  ixpk= 2027, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 996, 997,
 &end
#
#    0 AMB  20-2:2028     0 AMB  20-1:2028   3.00    (#   2028:20  Double Ambig)
 &rst
  ixpk= 2028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 993, 994, 107, 108, 107, 108,
 igr2= 996, 997,1928,1929,
 &end
#
#    0 AMB  20-2:2031     0 AMB  20-1:2031   3.00    (#   2031:20  Double Ambig)
 &rst
  ixpk= 2031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 885, 886,1964,1965,1925,1926,
 igr2=1043,1928,1929,1928,1929,
 &end
#
#   64 VAL  MGY          64 VAL  HB          3.00    (#   2032:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 2032, nxpk= 20, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1045,1046,1047,1049,1050,1051,
 &end
#
#   64 VAL  MGX          64 VAL  HB          3.00    (#   2033:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 2033, nxpk= 20, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1045,1046,1047,1049,1050,1051,
 &end
#
#    2 LYS  HG-           2 LYS  HB+         3.00    (#   2035:20  Unique         2.27, 2.73 A)
 &rst
  ixpk= 2035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  28,  29,
 igr2=  25,  26,
 &end
#
#    2 LYS  HA            2 LYS  HB-         3.00    (#   2038:20  Unique         2.27, 2.54 A)
 &rst
  ixpk= 2038, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  25,  26,
 &end
#
#    5 GLN  HG+           2 LYS  HB-         5.00    (#   2040:20  Unique         2.52, 5.00 A)
 &rst
  ixpk= 2040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  93,  94,
 igr2=  25,  26,
 &end
#
#    0 AMB  20-2:2047     0 AMB  20-1:2047   3.00    (#   2047:20  Double Ambig)
 &rst
  ixpk= 2047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  90,  91,  66,  67,
 igr2=  93,  94,  93,  94,
 &end
#
#    0 AMB  20-2:2048     0 AMB  20-1:2048   3.00    (#   2048:20  Double Ambig)
 &rst
  ixpk= 2048, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  69,  70,  25,  26,
 igr2=  93,  94,  93,  94,
 &end
#
#  116 VAL  HB          125 HIS  HB-         4.00    (#   2052:20  Unique         2.69, 4.39 A)
 &rst
  ixpk= 2052, nxpk= 20, iat=1834,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1985,1986,
 &end
#
#    0 AMB  20-2:2053   125 HIS  HB-         4.00    (#   2053:20  Single Ambig)
 &rst
  ixpk= 2053, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
      1841,1842,
 igr2=1985,1986,
 &end
#
#    0 AMB  20-2:2054     0 AMB  20-1:2054   3.00    (#   2054:20  Double Ambig)
 &rst
  ixpk= 2054, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  88,  23,
 igr2=  93,  94,  93,  94,
 &end
#
#    6 PRO  HD+           5 GLN  HG+         3.00    (#   2055:20  Unique         4.24, 5.58 A)
 &rst
  ixpk= 2055, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 104, 105,
 igr2=  93,  94,
 &end
#
#    6 PRO  HD-           5 GLN  HG+         3.00    (#   2056:20  Unique         4.24, 5.58 A)
 &rst
  ixpk= 2056, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 104, 105,
 igr2=  93,  94,
 &end
#
#    2 LYS  HG-           5 GLN  HG+         5.00    (#   2057:20  Unique         2.20, 4.33 A)
 &rst
  ixpk= 2057, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  28,  29,
 igr2=  93,  94,
 &end
#
#    0 AMB  20-2:2058     0 AMB  20-1:2058   3.00    (#   2058:20  Double Ambig)
 &rst
  ixpk= 2058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
      1841,1842,
 igr2=1985,1986,1985,1986,
 &end
#
#   59 GLN  HB-          59 GLN  HG+         3.00    (#   2061:20  Unique         2.27, 2.63 A)
 &rst
  ixpk= 2061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 964, 965,
 igr2= 967, 968,
 &end
#
#  118 ASP  HA           31 PRO  HB-         3.00    (#   2062:20  Unique         1.87, 2.66 A)
 &rst
  ixpk= 2062, nxpk= 20, iat=1868,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 504, 505,
 &end
#
#    0 AMB  20-2:2064    31 PRO  HB-         4.00    (#   2064:20  Single Ambig)
 &rst
  ixpk= 2064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279,
 igr2= 504, 505,
 &end
#
#   62 LEU  MDX          31 PRO  HB-         3.00    (#   2065:20  Unique         2.60, 6.02 A)
 &rst
  ixpk= 2065, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1015,1016,1017,1019,1020,1021,
 igr2= 504, 505,
 &end
#
#  143 VAL  MGY          31 PRO  HB+         3.00    (#   2068:20  Unique         2.20, 4.02 A)
 &rst
  ixpk= 2068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2273,2274,2275,2277,2278,2279,
 igr2= 504, 505,
 &end
#
#   30 LYS  HG+          29 GLU  HB-         4.00    (#   2069:20  Unique         2.18, 4.90 A)
 &rst
  ixpk= 2069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 482, 483,
 igr2= 464, 465,
 &end
#
#   59 GLN  HA           59 GLN  HG-         4.00    (#   2070:20  Unique         2.14, 3.08 A)
 &rst
  ixpk= 2070, nxpk= 20, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 967, 968,
 &end
#
#   59 GLN  HB-          59 GLN  HG-         3.00    (#   2072:20  Unique         2.27, 2.63 A)
 &rst
  ixpk= 2072, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 964, 965,
 igr2= 967, 968,
 &end
#
#    0 AMB  20-2:2074   116 VAL  HB          3.00    (#   2074:20  Single Ambig)
 &rst
  ixpk= 2074, nxpk= 20, iat=  -1,1834, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
      1841,1842,
 &end
#
#   29 GLU  HA           29 GLU  HB+         3.00    (#   2075:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 2075, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 464, 465,
 &end
#
#   30 LYS  HG+          29 GLU  HB+         4.00    (#   2077:20  Unique         2.18, 4.90 A)
 &rst
  ixpk= 2077, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 482, 483,
 igr2= 464, 465,
 &end
#
#    0 AMB  20-2:2078     0 AMB  20-1:2078   3.00    (#   2078:20  Double Ambig)
 &rst
  ixpk= 2078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=2292,2293,2294,2296,2297,2298,1015,1016,1017,1019,
      1020,1021,
 igr2= 993, 994, 504, 505,
 &end
#
#   29 GLU  HA           29 GLU  HB-         3.00    (#   2079:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 2079, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 464, 465,
 &end
#
#   67 VAL  MGY          67 VAL  HB          3.00    (#   2080:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 2080, nxpk= 20, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1087,1088,1089,1091,1092,1093,
 &end
#
#   67 VAL  MGX          67 VAL  HB          3.00    (#   2081:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 2081, nxpk= 20, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1087,1088,1089,1091,1092,1093,
 &end
#
#   56 ASP  HB+          59 GLN  HG-         4.00    (#   2083:20  Unique         4.75, 6.65 A)
 &rst
  ixpk= 2083, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 909, 910,
 igr2= 967, 968,
 &end
#
#  144 LEU  MDX          61 GLN  HB+         4.00    (#   2086:20  Unique         1.97, 3.87 A)
 &rst
  ixpk= 2086, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2292,2293,2294,2296,2297,2298,
 igr2= 993, 994,
 &end
#
#   61 GLN  HA           61 GLN  HB+         3.00    (#   2087:20  Unique         2.27, 2.80 A)
 &rst
  ixpk= 2087, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 993, 994,
 &end
#
#  125 HIS  HB-         116 VAL  HB          5.00    (#   2088:20  Unique         2.69, 4.39 A)
 &rst
  ixpk= 2088, nxpk= 20, iat=  -1,1834, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1985,1986,
 &end
#
#    0 AMB  20-2:2091    29 GLU  HB-         4.00    (#   2091:20  Single Ambig)
 &rst
  ixpk= 2091, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 482, 483, 485, 486,
 igr2= 464, 465,
 &end
#
#  127 GLN  HA          127 GLN  HB-         6.00    (#   2093:20  Unique         2.48, 2.85 A)
 &rst
  ixpk= 2093, nxpk= 20, iat=2020,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2022,2023,
 &end
#
#   65 VAL  HB           93 PRO  HB+         3.00    (#   2100:20  Unique         3.82, 4.87 A)
 &rst
  ixpk= 2100, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1484,1485,
 &end
#
#   76 LEU  MDX          70 PRO  HB+         3.00    (#   2101:20  Unique         2.16, 5.03 A)
 &rst
  ixpk= 2101, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1228,1229,1230,1232,1233,1234,
 igr2=1138,1139,
 &end
#
#   93 PRO  HG+          93 PRO  HB-         3.00    (#   2108:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2108, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1481,1482,
 igr2=1484,1485,
 &end
#
#   93 PRO  HG-          93 PRO  HB-         3.00    (#   2109:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2109, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1481,1482,
 igr2=1484,1485,
 &end
#
#   82 LYS  HA           82 LYS  HB+         3.00    (#   2115:20  Unique         2.26, 2.70 A)
 &rst
  ixpk= 2115, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1316,1317,
 &end
#
#   82 LYS  HD+          82 LYS  HB+         3.00    (#   2116:20  Unique         1.99, 3.09 A)
 &rst
  ixpk= 2116, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1322,1323,
 igr2=1316,1317,
 &end
#
#    0 AMB  20-2:2117     0 AMB  20-1:2117   3.00    (#   2117:20  Double Ambig)
 &rst
  ixpk= 2117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1319,1320, 278, 279,
 igr2=1316,1317,1316,1317,
 &end
#
#   82 LYS  HA           82 LYS  HB-         3.00    (#   2119:20  Unique         2.26, 2.70 A)
 &rst
  ixpk= 2119, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1316,1317,
 &end
#
#   99 ASP  HB+          70 PRO  HB+         4.00    (#   2121:20  Unique         7.02, 8.84 A)
 &rst
  ixpk= 2121, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1573,1574,
 igr2=1138,1139,
 &end
#
#   75 ASP  HB-          70 PRO  HB+         4.00    (#   2122:20  Unique         3.35, 4.83 A)
 &rst
  ixpk= 2122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1211,1212,
 igr2=1138,1139,
 &end
#
#   77 ASP  HB+          80 LYS  HB-         3.00    (#   2126:20  Unique         2.67, 4.47 A)
 &rst
  ixpk= 2126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1242,1243,
 igr2=1275,1276,
 &end
#
#   39 ILE  QD1          80 LYS  HB-         3.00    (#   2127:20  Unique         3.96, 5.25 A)
 &rst
  ixpk= 2127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 648, 649, 650,
 igr2=1275,1276,
 &end
#
#   54 PHE  HA           57 LYS  HB+         4.00    (#   2131:20  Unique         1.91, 2.85 A)
 &rst
  ixpk= 2131, nxpk= 20, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 921, 922,
 &end
#
#   57 LYS  HA           57 LYS  HB+         3.00    (#   2132:20  Unique         2.24, 2.67 A)
 &rst
  ixpk= 2132, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 921, 922,
 &end
#
#   57 LYS  HE-          57 LYS  HB+         5.00    (#   2133:20  Unique         1.84, 3.22 A)
 &rst
  ixpk= 2133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 930, 931,
 igr2= 921, 922,
 &end
#
#   57 LYS  HG-          57 LYS  HB+         4.00    (#   2134:20  Unique         2.26, 2.73 A)
 &rst
  ixpk= 2134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 924, 925,
 igr2= 921, 922,
 &end
#
#   57 LYS  HG+          57 LYS  HB+         4.00    (#   2135:20  Unique         2.26, 2.73 A)
 &rst
  ixpk= 2135, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 924, 925,
 igr2= 921, 922,
 &end
#
#    0 AMB  20-2:2139     0 AMB  20-1:2139   6.00    (#   2139:20  Double Ambig)
 &rst
  ixpk= 2139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 779, 780, 781,1437,1438,
 igr2= 775, 776, 775, 776,
 &end
#
#    8 PRO  HG-           8 PRO  HB-         3.00    (#   2143:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 138, 139,
 igr2= 141, 142,
 &end
#
#    0 AMB  20-2:2144     0 AMB  20-1:2144   5.00    (#   2144:20  Double Ambig)
 &rst
  ixpk= 2144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=  88, 165,
 igr2= 141, 142, 110, 111,
 &end
#
#    6 PRO  HD-           6 PRO  HB+         4.00    (#   2145:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 2145, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 104, 105,
 igr2= 110, 111,
 &end
#
#    0 AMB  20-2:2148    82 LYS  HB-         6.00    (#   2148:20  Single Ambig)
 &rst
  ixpk= 2148, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 231, 232,1284,1285,
 igr2=1316,1317,
 &end
#
#    0 AMB  20-2:2149     0 AMB  20-1:2149   3.00    (#   2149:20  Double Ambig)
 &rst
  ixpk= 2149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 220,1353,
 igr2= 222, 223,1275,1276,
 &end
#
#   80 LYS  HA           80 LYS  HB-         3.00    (#   2150:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 2150, nxpk= 20, iat=1273,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1275,1276,
 &end
#
#   80 LYS  HE-          80 LYS  HB-         4.00    (#   2151:20  Unique         1.95, 3.53 A)
 &rst
  ixpk= 2151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1284,1285,
 igr2=1275,1276,
 &end
#
#    0 AMB  20-2:2152     0 AMB  20-1:2152   3.00    (#   2152:20  Double Ambig)
 &rst
  ixpk= 2152, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 225, 226,1278,1279,
 igr2= 222, 223,1275,1276,
 &end
#
#   77 ASP  HB-          80 LYS  HB-         3.00    (#   2153:20  Unique         2.67, 4.47 A)
 &rst
  ixpk= 2153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1242,1243,
 igr2=1275,1276,
 &end
#
#    6 PRO  HD-           6 PRO  HB-         4.00    (#   2154:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 2154, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 104, 105,
 igr2= 110, 111,
 &end
#
#   29 GLU  HA          119 LYS  HB-         5.00    (#   2157:20  Unique         2.28, 3.77 A)
 &rst
  ixpk= 2157, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1882,1883,
 &end
#
#    0 AMB  20-2:2158     0 AMB  20-1:2158   3.00    (#   2158:20  Double Ambig)
 &rst
  ixpk= 2158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 863, 144,
 igr2= 921, 922, 141, 142,
 &end
#
#   57 LYS  HA           57 LYS  HB-         3.00    (#   2159:20  Unique         2.24, 2.67 A)
 &rst
  ixpk= 2159, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 921, 922,
 &end
#
#   57 LYS  HE-          57 LYS  HB-         4.00    (#   2160:20  Unique         1.84, 3.22 A)
 &rst
  ixpk= 2160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 930, 931,
 igr2= 921, 922,
 &end
#
#    0 AMB  20-2:2162     0 AMB  20-1:2162   3.00    (#   2162:20  Double Ambig)
 &rst
  ixpk= 2162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 927, 928,1885,1886,
 igr2= 921, 922,1882,1883,
 &end
#
#   57 LYS  HG-          57 LYS  HB-         4.00    (#   2164:20  Unique         2.26, 2.73 A)
 &rst
  ixpk= 2164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 924, 925,
 igr2= 921, 922,
 &end
#
#   57 LYS  HG+          57 LYS  HB-         4.00    (#   2165:20  Unique         2.26, 2.73 A)
 &rst
  ixpk= 2165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 924, 925,
 igr2= 921, 922,
 &end
#
#  119 LYS  HA          119 LYS  HB-         4.00    (#   2166:20  Unique         2.24, 2.45 A)
 &rst
  ixpk= 2166, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1882,1883,
 &end
#
#    0 AMB  20-2:2177     0 AMB  20-1:2177   3.00    (#   2177:20  Double Ambig)
 &rst
  ixpk= 2177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1057, 144,
 igr2=1467,1468, 141, 142,
 &end
#
#    0 AMB  20-2:2178     0 AMB  20-1:2178   4.00    (#   2178:20  Double Ambig)
 &rst
  ixpk= 2178, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1=1045,1046,1047,1049,1050,1051, 138, 139,
 igr2=1467,1468, 141, 142,
 &end
#
#    8 PRO  HD-           0 AMB  20-1:2179   3.00    (#   2179:20  Single Ambig)
 &rst
  ixpk= 2179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 135, 136,
 igr2= 141, 142, 110, 111,
 &end
#
#    0 AMB  20-2:2180     0 AMB  20-1:2180   3.00    (#   2180:20  Double Ambig)
 &rst
  ixpk= 2180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 104, 105,1251,1252,1266,1267,
 igr2= 110, 111,1257,1258,
 &end
#
#   78 PRO  HA           78 PRO  HB+         3.00    (#   2186:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 2186, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1257,1258,
 &end
#
#    0 AMB  20-2:2187     0 AMB  20-1:2187   3.00    (#   2187:20  Double Ambig)
 &rst
  ixpk= 2187, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 731, 732,1322,1323,
 igr2= 725, 726,1316,1317,
 &end
#
#    0 AMB  20-2:2188     0 AMB  20-1:2188   3.00    (#   2188:20  Double Ambig)
 &rst
  ixpk= 2188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=2118,1260,
 igr2=2171,2172,1316,1317,
 &end
#
#  138 LYS  HA          138 LYS  HB-         3.00    (#   2189:20  Unique         2.22, 2.57 A)
 &rst
  ixpk= 2189, nxpk= 20, iat=2169,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2171,2172,
 &end
#
#    0 AMB  20-2:2190   138 LYS  HB-         4.00    (#   2190:20  Single Ambig)
 &rst
  ixpk= 2190, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=2180,2181,2199,2200,
 igr2=2171,2172,
 &end
#
#  139 ARG  HD+         138 LYS  HB-         5.00    (#   2191:20  Unique         3.39, 6.70 A)
 &rst
  ixpk= 2191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2199,2200,
 igr2=2171,2172,
 &end
#
#    0 AMB  20-2:2192     0 AMB  20-1:2192   3.00    (#   2192:20  Double Ambig)
 &rst
  ixpk= 2192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 731, 732,1322,1323,
 igr2= 725, 726,1316,1317,
 &end
#
#    0 AMB  20-2:2193     0 AMB  20-1:2193   3.00    (#   2193:20  Double Ambig)
 &rst
  ixpk= 2193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 728, 729,1319,1320, 278, 279,2174,2175,
 igr2= 725, 726,1316,1317,2171,2172,
 &end
#
#  138 LYS  HA          138 LYS  HB+         3.00    (#   2195:20  Unique         2.22, 2.57 A)
 &rst
  ixpk= 2195, nxpk= 20, iat=2169,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2171,2172,
 &end
#
#    0 AMB  20-2:2196     0 AMB  20-1:2196   3.00    (#   2196:20  Double Ambig)
 &rst
  ixpk= 2196, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1885,1886, 138, 139,
 igr2=1882,1883, 141, 142,
 &end
#
#   30 LYS  HE+         119 LYS  HB-         5.00    (#   2197:20  Unique         4.90, 7.21 A)
 &rst
  ixpk= 2197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 488, 489,
 igr2=1882,1883,
 &end
#
#  109 GLU  HG-         109 GLU  HB-         3.00    (#   2201:20  Unique         2.27, 2.75 A)
 &rst
  ixpk= 2201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1719,1720,
 igr2=1716,1717,
 &end
#
#  119 LYS  HA          119 LYS  HB+         4.00    (#   2202:20  Unique         2.24, 2.45 A)
 &rst
  ixpk= 2202, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1882,1883,
 &end
#
#  119 LYS  HG-         119 LYS  HB+         4.00    (#   2203:20  Unique         2.26, 2.72 A)
 &rst
  ixpk= 2203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1885,1886,
 igr2=1882,1883,
 &end
#
#    0 AMB  20-2:2206     0 AMB  20-1:2206   3.00    (#   2206:20  Double Ambig)
 &rst
  ixpk= 2206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2081,2082,2022,2023,
 igr2=2084,2085,2120,2121,
 &end
#
#   78 PRO  HA           78 PRO  HB-         3.00    (#   2210:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 2210, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1257,1258,
 &end
#
#    0 AMB  20-2:2214   138 LYS  HB-         4.00    (#   2214:20  Single Ambig)
 &rst
  ixpk= 2214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=2180,2181,2199,2200,
 igr2=2171,2172,
 &end
#
#  109 GLU  HA          109 GLU  HB-         3.00    (#   2217:20  Unique         2.35, 2.82 A)
 &rst
  ixpk= 2217, nxpk= 20, iat=1714,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1716,1717,
 &end
#
#    0 AMB  20-2:2222     1 MET  HG-         3.00    (#   2222:20  Single Ambig)
 &rst
  ixpk= 2222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=   6,1665,
 igr2=  11,  12,
 &end
#
#    0 AMB  20-2:2223     1 MET  HG-         4.00    (#   2223:20  Single Ambig)
 &rst
  ixpk= 2223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1657,1658,1659,  15,  16,  17,
 igr2=  11,  12,
 &end
#
#  123 LEU  MDX           1 MET  HG-         4.00    (#   2224:20  Unique         2.43, 6.42 A)
 &rst
  ixpk= 2224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1947,1948,1949,1951,1952,1953,
 igr2=  11,  12,
 &end
#
#    0 AMB  20-2:2225     0 AMB  20-1:2225   3.00    (#   2225:20  Double Ambig)
 &rst
  ixpk= 2225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=   6,1665,
 igr2=  11,  12,  11,  12,
 &end
#
#    0 AMB  20-2:2226     0 AMB  20-1:2226   3.00    (#   2226:20  Double Ambig)
 &rst
  ixpk= 2226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1657,1658,1659,  15,  16,  17,
 igr2=  11,  12,  11,  12,
 &end
#
#    0 AMB  20-2:2227     0 AMB  20-1:2227   4.00    (#   2227:20  Double Ambig)
 &rst
  ixpk= 2227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 822, 823, 824, 826, 827, 828,1947,1948,1949,1951,
      1952,1953,
 igr2=2084,2085,  11,  12,
 &end
#
#    0 AMB  20-2:2228     0 AMB  20-1:2228   3.00    (#   2228:20  Double Ambig)
 &rst
  ixpk= 2228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=2118,2054,2055,2072,2073,
 igr2=2120,2121,2084,2085,
 &end
#
#    0 AMB  20-2:2229     0 AMB  20-1:2229   3.00    (#   2229:20  Double Ambig)
 &rst
  ixpk= 2229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=2127,2128,2129,  90,  91,
 igr2=2120,2121,  11,  12,
 &end
#
#    0 AMB  20-2:2230     0 AMB  20-1:2230   4.00    (#   2230:20  Double Ambig)
 &rst
  ixpk= 2230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2118,2054,2055,
 igr2=2120,2121,2120,2121,
 &end
#
#  135 MET  ME          135 MET  HB+         3.00    (#   2231:20  Unique         1.87, 3.59 A)
 &rst
  ixpk= 2231, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2127,2128,2129,
 igr2=2120,2121,
 &end
#
#  116 VAL  MGY         143 VAL  HB          3.00    (#   2233:20  Unique         1.95, 3.53 A)
 &rst
  ixpk= 2233, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1836,1837,1838,1840,1841,1842,
 &end
#
#    0 AMB  20-2:2243     0 AMB  20-1:2243   4.00    (#   2243:20  Double Ambig)
 &rst
  ixpk= 2243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1731,1732, 135, 136,
 igr2=  11,  12,  11,  12,
 &end
#
#  143 VAL  HA          143 VAL  HB          3.00    (#   2244:20  Unique         2.44, 2.61 A)
 &rst
  ixpk= 2244, nxpk= 20, iat=2269,2271, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  140 VAL  HA          143 VAL  HB          4.00    (#   2245:20  Unique         3.11, 3.81 A)
 &rst
  ixpk= 2245, nxpk= 20, iat=2215,2271, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:2246   143 VAL  HB          3.00    (#   2246:20  Single Ambig)
 &rst
  ixpk= 2246, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279,
 &end
#
#  143 VAL  MGX         124 ARG  HB+         5.00    (#   2247:20  Unique         2.58, 5.50 A)
 &rst
  ixpk= 2247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2273,2274,2275,2277,2278,2279,
 igr2=1961,1962,
 &end
#
#    0 AMB  20-2:2250   124 ARG  HB-         5.00    (#   2250:20  Single Ambig)
 &rst
  ixpk= 2250, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279,
 igr2=1961,1962,
 &end
#
#   51 VAL  MGX          51 VAL  HB          3.00    (#   2255:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 2255, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   71 ARG  HG-          71 ARG  HB-         3.00    (#   2257:20  Unique         2.30, 2.77 A)
 &rst
  ixpk= 2257, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1152,1153,
 igr2=1149,1150,
 &end
#
#    0 AMB  20-2:2258   140 VAL  HB          3.00    (#   2258:20  Single Ambig)
 &rst
  ixpk= 2258, nxpk= 20, iat=  -1,2217, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2219,2220,2221,2223,2224,2225,1015,1016,1017,1019,
      1020,1021,
 &end
#
#  140 VAL  MGY         140 VAL  HB          3.00    (#   2259:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 2259, nxpk= 20, iat=  -1,2217, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#  137 GLU  HA          140 VAL  HB          3.00    (#   2260:20  Unique         2.86, 3.45 A)
 &rst
  ixpk= 2260, nxpk= 20, iat=2154,2217, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  124 ARG  HG-         124 ARG  HB-         4.00    (#   2264:20  Unique         2.29, 2.62 A)
 &rst
  ixpk= 2264, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1964,1965,
 igr2=1961,1962,
 &end
#
#  148 GLU  HA          148 GLU  HB-         3.00    (#   2276:20  Unique         2.27, 2.76 A)
 &rst
  ixpk= 2276, nxpk= 20, iat=2343,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2345,2346,
 &end
#
#  148 GLU  HG+         148 GLU  HB-         3.00    (#   2277:20  Unique         2.27, 2.71 A)
 &rst
  ixpk= 2277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2348,2349,
 igr2=2345,2346,
 &end
#
#    0 AMB  20-2:2279     0 AMB  20-1:2279   3.00    (#   2279:20  Double Ambig)
 &rst
  ixpk= 2279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 770,1147,
 igr2= 820,1121,1122,
 &end
#
#   51 VAL  MGY          51 VAL  HB          3.00    (#   2280:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 2280, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#  148 GLU  HG+         148 GLU  HB+         3.00    (#   2283:20  Unique         2.27, 2.71 A)
 &rst
  ixpk= 2283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2348,2349,
 igr2=2345,2346,
 &end
#
#  148 GLU  HA          148 GLU  HB+         3.00    (#   2285:20  Unique         2.27, 2.76 A)
 &rst
  ixpk= 2285, nxpk= 20, iat=2343,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2345,2346,
 &end
#
#   49 PRO  HA           49 PRO  HB+         3.00    (#   2286:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 2286, nxpk= 20, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 792, 793,
 &end
#
#   20 GLU  HG-          20 GLU  HB-         4.00    (#   2292:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 2292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 321, 322,
 igr2= 318, 319,
 &end
#
#   20 GLU  HG+          20 GLU  HB-         4.00    (#   2293:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 2293, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 321, 322,
 igr2= 318, 319,
 &end
#
#    0 AMB  20-2:2295    20 GLU  HB-         3.00    (#   2295:20  Single Ambig)
 &rst
  ixpk= 2295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1514,1515, 316,
 igr2= 318, 319,
 &end
#
#   20 GLU  HG+          20 GLU  HB+         4.00    (#   2296:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 2296, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 321, 322,
 igr2= 318, 319,
 &end
#
#   42 HIS  HA           42 HIS  HB-         3.00    (#   2299:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 2299, nxpk= 20, iat= 677,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 679, 680,
 &end
#
#    0 AMB  20-2:2305     0 AMB  20-1:2305   3.00    (#   2305:20  Double Ambig)
 &rst
  ixpk= 2305, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1125,1126,1127,1118,1119,
 igr2=1121,1122,1121,1122,
 &end
#
#  103 THR  MG2          69 MET  HG+         5.00    (#   2306:20  Unique         3.73, 7.34 A)
 &rst
  ixpk= 2306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1633,1634,1635,
 igr2=1121,1122,
 &end
#
#   49 PRO  HA           49 PRO  HB-         4.00    (#   2307:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 2307, nxpk= 20, iat= 795,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 792, 793,
 &end
#
#    0 AMB  20-2:2309    69 MET  HG-         3.00    (#   2309:20  Single Ambig)
 &rst
  ixpk= 2309, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1125,1126,1127,1118,1119,
 igr2=1121,1122,
 &end
#
#  122 GLN  HG-         122 GLN  HB+         3.00    (#   2313:20  Unique         2.41, 2.78 A)
 &rst
  ixpk= 2313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1928,1929,
 igr2=1925,1926,
 &end
#
#  122 GLN  HA          122 GLN  HB+         4.00    (#   2314:20  Unique         2.26, 2.66 A)
 &rst
  ixpk= 2314, nxpk= 20, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1925,1926,
 &end
#
#    0 AMB  20-2:2315     0 AMB  20-1:2315   4.00    (#   2315:20  Double Ambig)
 &rst
  ixpk= 2315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  64,1940,
 igr2=1925,1926,1925,1926,
 &end
#
#   42 HIS  HA           42 HIS  HB+         3.00    (#   2323:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 2323, nxpk= 20, iat= 677,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 679, 680,
 &end
#
#   34 ILE  QD1          23 ARG  HB+         6.00    (#   2325:20  Unique         3.07, 5.43 A)
 &rst
  ixpk= 2325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 557, 558, 559,
 igr2= 363, 364,
 &end
#
#   23 ARG  HA           23 ARG  HB+         3.00    (#   2326:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 2326, nxpk= 20, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 363, 364,
 &end
#
#    9 GLU  HA            9 GLU  HB+         3.00    (#   2336:20  Unique         2.54, 2.82 A)
 &rst
  ixpk= 2336, nxpk= 20, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 152, 153,
 &end
#
#  119 LYS  HG-         119 LYS  HD-         4.00    (#   2337:20  Unique         2.26, 2.74 A)
 &rst
  ixpk= 2337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1885,1886,
 igr2=1888,1889,
 &end
#
#   83 GLU  HA           83 GLU  HB+         4.00    (#   2343:20  Unique         2.46, 2.87 A)
 &rst
  ixpk= 2343, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1338,1339,
 &end
#
#   83 GLU  HA           83 GLU  HB-         3.00    (#   2344:20  Unique         2.46, 2.87 A)
 &rst
  ixpk= 2344, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1338,1339,
 &end
#
#   46 GLU  HA           46 GLU  HB-         3.00    (#   2346:20  Unique         2.31, 2.73 A)
 &rst
  ixpk= 2346, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 747, 748,
 &end
#
#   46 GLU  HA           46 GLU  HB+         3.00    (#   2347:20  Unique         2.31, 2.73 A)
 &rst
  ixpk= 2347, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 747, 748,
 &end
#
#    0 AMB  20-2:2348     0 AMB  20-1:2348   5.00    (#   2348:20  Double Ambig)
 &rst
  ixpk= 2348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.91, r4=11.41,
 igr1= 701, 702, 703, 705, 706, 707,2273,2274,2275,2277,
      2278,2279,2273,2274,2275,2277,2278,2279,
 igr2= 747, 748,2247,2248,2247,2248,
 &end
#
#    0 AMB  20-2:2349     0 AMB  20-1:2349   3.00    (#   2349:20  Double Ambig)
 &rst
  ixpk= 2349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2250,2251,2250,2251,
 igr2=2247,2248,2247,2248,
 &end
#
#    0 AMB  20-2:2350     0 AMB  20-1:2350   5.00    (#   2350:20  Double Ambig)
 &rst
  ixpk= 2350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279,
 igr2=2247,2248,2247,2248,
 &end
#
#  142 ARG  HD+         142 ARG  HB+         3.00    (#   2351:20  Unique         2.10, 3.21 A)
 &rst
  ixpk= 2351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2253,2254,
 igr2=2247,2248,
 &end
#
#  139 ARG  HD-         142 ARG  HB+         5.00    (#   2352:20  Unique         3.06, 4.47 A)
 &rst
  ixpk= 2352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2199,2200,
 igr2=2247,2248,
 &end
#
#   11 THR  MG2           9 GLU  HB+         4.00    (#   2354:20  Unique         1.96, 3.69 A)
 &rst
  ixpk= 2354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 188, 189, 190,
 igr2= 152, 153,
 &end
#
#    0 AMB  20-2:2355     0 AMB  20-1:2355   4.00    (#   2355:20  Double Ambig)
 &rst
  ixpk= 2355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 462, 455, 456,
 igr2=1888,1889,1888,1889,
 &end
#
#  119 LYS  HB+         119 LYS  HD+         3.00    (#   2356:20  Unique         1.97, 3.03 A)
 &rst
  ixpk= 2356, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1882,1883,
 igr2=1888,1889,
 &end
#
#  119 LYS  HG-         119 LYS  HD+         3.00    (#   2357:20  Unique         2.26, 2.74 A)
 &rst
  ixpk= 2357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1885,1886,
 igr2=1888,1889,
 &end
#
#    0 AMB  20-2:2358   119 LYS  HD-         5.00    (#   2358:20  Single Ambig)
 &rst
  ixpk= 2358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 462, 455, 456,
 igr2=1888,1889,
 &end
#
#   88 HIS  HA           88 HIS  HB-         4.00    (#   2364:20  Unique         2.36, 2.79 A)
 &rst
  ixpk= 2364, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1402,1403,
 &end
#
#   88 HIS  HA           88 HIS  HB+         5.00    (#   2369:20  Unique         2.36, 2.79 A)
 &rst
  ixpk= 2369, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1402,1403,
 &end
#
#    0 AMB  20-2:2374     0 AMB  20-1:2374   4.00    (#   2374:20  Double Ambig)
 &rst
  ixpk= 2374, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=  15,  16,  17,  69,  70,
 igr2=  90,  91,  90,  91,
 &end
#
#   21 VAL  MGX          25 GLN  HB-         5.00    (#   2375:20  Unique         1.97, 4.16 A)
 &rst
  ixpk= 2375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 335, 336, 337, 339, 340, 341,
 igr2= 402, 403,
 &end
#
#    0 AMB  20-2:2377     0 AMB  20-1:2377   3.00    (#   2377:20  Double Ambig)
 &rst
  ixpk= 2377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1351,2314,
 igr2=1387,1388,2316,2317,
 &end
#
#    0 AMB  20-2:2378     0 AMB  20-1:2378   3.00    (#   2378:20  Double Ambig)
 &rst
  ixpk= 2378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1319,1320,1377,1378,1379,1278,1279,
 igr2=1338,1339,1387,1388,
 &end
#
#    5 GLN  HA            5 GLN  HB-         3.00    (#   2382:20  Unique         2.26, 2.50 A)
 &rst
  ixpk= 2382, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  90,  91,
 &end
#
#    0 AMB  20-2:2383     0 AMB  20-1:2383   4.00    (#   2383:20  Double Ambig)
 &rst
  ixpk= 2383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 104, 105,2135,
 igr2=  90,  91,2156,2157,
 &end
#
#   84 THR  HA           87 GLU  HB+         3.00    (#   2384:20  Unique         2.10, 3.43 A)
 &rst
  ixpk= 2384, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1387,1388,
 &end
#
#  142 ARG  HA          142 ARG  HB+         3.00    (#   2386:20  Unique         2.30, 2.84 A)
 &rst
  ixpk= 2386, nxpk= 20, iat=2245,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2247,2248,
 &end
#
#   82 LYS  HA           82 LYS  HD+         3.00    (#   2388:20  Unique         2.39, 3.77 A)
 &rst
  ixpk= 2388, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1322,1323,
 &end
#
#   17 LEU  MDY          82 LYS  HD+         3.00    (#   2389:20  Unique         1.97, 4.67 A)
 &rst
  ixpk= 2389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 283, 284, 285, 287, 288, 289,
 igr2=1322,1323,
 &end
#
#  119 LYS  HE+         119 LYS  HD+         3.00    (#   2391:20  Unique         2.27, 2.70 A)
 &rst
  ixpk= 2391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1891,1892,
 igr2=1888,1889,
 &end
#
#   57 LYS  HE-          57 LYS  HD+         3.00    (#   2392:20  Unique         2.27, 2.70 A)
 &rst
  ixpk= 2392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 930, 931,
 igr2= 927, 928,
 &end
#
#   57 LYS  HG+          57 LYS  HD+         3.00    (#   2393:20  Unique         2.28, 2.61 A)
 &rst
  ixpk= 2393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 924, 925,
 igr2= 927, 928,
 &end
#
#   57 LYS  HG-          57 LYS  HD+         3.00    (#   2395:20  Unique         2.28, 2.61 A)
 &rst
  ixpk= 2395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 924, 925,
 igr2= 927, 928,
 &end
#
#    0 AMB  20-2:2396     0 AMB  20-1:2396   3.00    (#   2396:20  Double Ambig)
 &rst
  ixpk= 2396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 464, 465, 850, 851,
 igr2= 485, 486, 927, 928,
 &end
#
#   61 GLN  HA           30 LYS  HD-         5.00    (#   2398:20  Unique         1.99, 3.28 A)
 &rst
  ixpk= 2398, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 485, 486,
 &end
#
#   57 LYS  HE-          57 LYS  HD-         3.00    (#   2400:20  Unique         2.27, 2.70 A)
 &rst
  ixpk= 2400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 930, 931,
 igr2= 927, 928,
 &end
#
#   57 LYS  HG-          57 LYS  HD-         4.00    (#   2401:20  Unique         2.28, 2.61 A)
 &rst
  ixpk= 2401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 924, 925,
 igr2= 927, 928,
 &end
#
#   57 LYS  HG+          57 LYS  HD-         3.00    (#   2402:20  Unique         2.28, 2.61 A)
 &rst
  ixpk= 2402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 924, 925,
 igr2= 927, 928,
 &end
#
#    5 GLN  HA            5 GLN  HB+         3.00    (#   2409:20  Unique         2.26, 2.50 A)
 &rst
  ixpk= 2409, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  90,  91,
 &end
#
#    6 PRO  HD-           5 GLN  HB+         4.00    (#   2410:20  Unique         4.02, 4.63 A)
 &rst
  ixpk= 2410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 104, 105,
 igr2=  90,  91,
 &end
#
#   25 GLN  HA           25 GLN  HB-         3.00    (#   2411:20  Unique         2.38, 2.83 A)
 &rst
  ixpk= 2411, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 402, 403,
 &end
#
#    0 AMB  20-2:2413     0 AMB  20-1:2413   3.00    (#   2413:20  Double Ambig)
 &rst
  ixpk= 2413, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2269,1385, 801,
 igr2=2316,2317,1387,1388, 803, 804,
 &end
#
#  146 GLU  HG-         146 GLU  HB-         3.00    (#   2414:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 2414, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2319,2320,
 igr2=2316,2317,
 &end
#
#  137 GLU  HA          137 GLU  HB-         4.00    (#   2415:20  Unique         2.29, 2.76 A)
 &rst
  ixpk= 2415, nxpk= 20, iat=2154,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2156,2157,
 &end
#
#  137 GLU  HA          137 GLU  HB+         4.00    (#   2416:20  Unique         2.29, 2.76 A)
 &rst
  ixpk= 2416, nxpk= 20, iat=2154,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2156,2157,
 &end
#
#    0 AMB  20-2:2417     0 AMB  20-1:2417   4.00    (#   2417:20  Double Ambig)
 &rst
  ixpk= 2417, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 335, 336, 337, 339, 340, 341, 424, 425, 426, 428,
       429, 430,
 igr2= 402, 403, 402, 403,
 &end
#
#   74 ASP  HA           80 LYS  HD+         6.00    (#   2421:20  Unique         2.03, 3.69 A)
 &rst
  ixpk= 2421, nxpk= 20, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1281,1282,
 &end
#
#    0 AMB  20-2:2425    30 LYS  HD-         3.00    (#   2425:20  Single Ambig)
 &rst
  ixpk= 2425, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 479, 480, 464, 465,
 igr2= 485, 486,
 &end
#
#   53 GLU  HA           53 GLU  HB-         3.00    (#   2432:20  Unique         2.26, 2.50 A)
 &rst
  ixpk= 2432, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 850, 851,
 &end
#
#    0 AMB  20-2:2433     0 AMB  20-1:2433   6.00    (#   2433:20  Double Ambig)
 &rst
  ixpk= 2433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1= 351, 352, 353, 318, 319,
 igr2= 387, 388, 402, 403, 402, 403,
 &end
#
#   24 GLU  HA           24 GLU  HB+         3.00    (#   2435:20  Unique         2.33, 2.47 A)
 &rst
  ixpk= 2435, nxpk= 20, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 387, 388,
 &end
#
#    0 AMB  20-2:2436     0 AMB  20-1:2436   6.00    (#   2436:20  Double Ambig)
 &rst
  ixpk= 2436, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 909, 910, 124, 125,1242,1243,
 igr2= 850, 851, 387, 388,1184,1185,
 &end
#
#    0 AMB  20-2:2437     0 AMB  20-1:2437   3.00    (#   2437:20  Double Ambig)
 &rst
  ixpk= 2437, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 390, 391, 853, 854,
 igr2= 387, 388, 850, 851,
 &end
#
#   57 LYS  HD-          53 GLU  HB+         6.00    (#   2438:20  Unique         3.09, 5.94 A)
 &rst
  ixpk= 2438, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 927, 928,
 igr2= 850, 851,
 &end
#
#   50 GLN  HA           50 GLN  HB+         3.00    (#   2439:20  Unique         2.32, 2.81 A)
 &rst
  ixpk= 2439, nxpk= 20, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 803, 804,
 &end
#
#    0 AMB  20-2:2441     0 AMB  20-1:2441   3.00    (#   2441:20  Double Ambig)
 &rst
  ixpk= 2441, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1284,1285, 734, 735, 734, 735,
 igr2=1281,1282, 731, 732, 731, 732,
 &end
#
#    0 AMB  20-2:2442     0 AMB  20-1:2442   3.00    (#   2442:20  Double Ambig)
 &rst
  ixpk= 2442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 639, 750, 751,1338,1339,
 igr2=1281,1282, 731, 732, 731, 732,
 &end
#
#    0 AMB  20-2:2443     0 AMB  20-1:2443   3.00    (#   2443:20  Double Ambig)
 &rst
  ixpk= 2443, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 728, 729,1278,1279,
 igr2= 731, 732,1281,1282,
 &end
#
#   39 ILE  QD1          80 LYS  HD-         3.00    (#   2444:20  Unique         1.94, 2.89 A)
 &rst
  ixpk= 2444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 648, 649, 650,
 igr2=1281,1282,
 &end
#
#   80 LYS  HB-          80 LYS  HD+         3.00    (#   2445:20  Unique         2.10, 3.40 A)
 &rst
  ixpk= 2445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1275,1276,
 igr2=1281,1282,
 &end
#
#  135 MET  HA          138 LYS  HD+         3.00    (#   2447:20  Unique         1.93, 4.04 A)
 &rst
  ixpk= 2447, nxpk= 20, iat=2118,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2177,2178,
 &end
#
#  138 LYS  HA          138 LYS  HD+         4.00    (#   2448:20  Unique         1.99, 3.28 A)
 &rst
  ixpk= 2448, nxpk= 20, iat=2169,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2177,2178,
 &end
#
#   30 LYS  HB-          30 LYS  HD-         3.00    (#   2449:20  Unique         1.98, 3.11 A)
 &rst
  ixpk= 2449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 479, 480,
 igr2= 485, 486,
 &end
#
#  139 ARG  HG+         139 ARG  HB+         3.00    (#   2453:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 2453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2196,2197,
 igr2=2193,2194,
 &end
#
#   59 GLN  HA           59 GLN  HB+         3.00    (#   2458:20  Unique         2.57, 2.86 A)
 &rst
  ixpk= 2458, nxpk= 20, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 964, 965,
 &end
#
#   59 GLN  HA           59 GLN  HB-         3.00    (#   2462:20  Unique         2.57, 2.86 A)
 &rst
  ixpk= 2462, nxpk= 20, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 964, 965,
 &end
#
#    0 AMB  20-2:2466     0 AMB  20-1:2466   6.00    (#   2466:20  Double Ambig)
 &rst
  ixpk= 2466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1= 924, 925, 424, 425, 426, 428, 429, 430,
 igr2= 850, 851, 554, 555,
 &end
#
#    0 AMB  20-2:2468     0 AMB  20-1:2468   3.00    (#   2468:20  Double Ambig)
 &rst
  ixpk= 2468, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 172, 173, 174, 176, 177, 178, 557, 558, 559,
 igr2= 554, 555, 554, 555,
 &end
#
#   45 LYS  HE-          45 LYS  HD-         3.00    (#   2471:20  Unique         2.27, 2.65 A)
 &rst
  ixpk= 2471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 734, 735,
 igr2= 731, 732,
 &end
#
#  139 ARG  HG-         139 ARG  HB+         5.00    (#   2478:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 2478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2196,2197,
 igr2=2193,2194,
 &end
#
#    0 AMB  20-2:2481    34 ILE  HG1-        3.00    (#   2481:20  Single Ambig)
 &rst
  ixpk= 2481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 172, 173, 174, 176, 177, 178, 557, 558, 559,
 igr2= 554, 555,
 &end
#
#   34 ILE  QG2          34 ILE  HG1-        4.00    (#   2482:20  Unique         2.01, 3.46 A)
 &rst
  ixpk= 2482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 550, 551, 552,
 igr2= 554, 555,
 &end
#
#   56 ASP  HA           59 GLN  HB+         4.00    (#   2486:20  Unique         1.87, 2.70 A)
 &rst
  ixpk= 2486, nxpk= 20, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 964, 965,
 &end
#
#   34 ILE  QG2          34 ILE  HG1+        4.00    (#   2489:20  Unique         2.01, 3.46 A)
 &rst
  ixpk= 2489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 550, 551, 552,
 igr2= 554, 555,
 &end
#
#    0 AMB  20-2:2496    33 LEU  HG          6.00    (#   2496:20  Single Ambig)
 &rst
  ixpk= 2496, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
      1841,1842,
 &end
#
#   33 LEU  HB-          33 LEU  HG          4.00    (#   2497:20  Unique         2.25, 2.62 A)
 &rst
  ixpk= 2497, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 529, 530,
 &end
#
#   33 LEU  MDY          33 LEU  HG          3.00    (#   2498:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2498, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  MDX          33 LEU  HG          3.00    (#   2499:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2499, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#    0 AMB  20-2:2503     4 ARG  HG-         3.00    (#   2503:20  Single Ambig)
 &rst
  ixpk= 2503, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  72,  73,  72,  73,
 igr2=  69,  70,
 &end
#
#    4 ARG  HA            4 ARG  HG-         4.00    (#   2504:20  Unique         2.47, 3.26 A)
 &rst
  ixpk= 2504, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  69,  70,
 &end
#
#    4 ARG  HA            4 ARG  HG+         4.00    (#   2512:20  Unique         2.47, 3.26 A)
 &rst
  ixpk= 2512, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  69,  70,
 &end
#
#    4 ARG  HB-           4 ARG  HG+         4.00    (#   2513:20  Unique         2.26, 2.72 A)
 &rst
  ixpk= 2513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  66,  67,
 igr2=  69,  70,
 &end
#
#    4 ARG  HB+           4 ARG  HG+         3.00    (#   2514:20  Unique         2.26, 2.72 A)
 &rst
  ixpk= 2514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  66,  67,
 igr2=  69,  70,
 &end
#
#   81 ILE  QD1          81 ILE  HG1+        4.00    (#   2515:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 2515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1306,1307,1308,
 igr2=1303,1304,
 &end
#
#   81 ILE  QD1          81 ILE  HG1-        4.00    (#   2517:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 2517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1306,1307,1308,
 igr2=1303,1304,
 &end
#
#  100 HIS  HA          100 HIS  HB-         4.00    (#   2519:20  Unique         2.54, 2.83 A)
 &rst
  ixpk= 2519, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1585,1586,
 &end
#
#  100 HIS  HA          100 HIS  HB+         5.00    (#   2520:20  Unique         2.54, 2.83 A)
 &rst
  ixpk= 2520, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1585,1586,
 &end
#
#   48 MET  HA           48 MET  HB-         6.00    (#   2522:20  Unique         2.33, 2.81 A)
 &rst
  ixpk= 2522, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 772, 773,
 &end
#
#   49 PRO  HD+          48 MET  HB+         4.00    (#   2523:20  Unique         1.88, 3.26 A)
 &rst
  ixpk= 2523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 786, 787,
 igr2= 772, 773,
 &end
#
#   78 PRO  HD-          78 PRO  HG+         3.00    (#   2524:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1251,1252,
 igr2=1254,1255,
 &end
#
#  107 GLU  HA          107 GLU  HB+         3.00    (#   2525:20  Unique         2.60, 2.85 A)
 &rst
  ixpk= 2525, nxpk= 20, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1687,1688,
 &end
#
#   31 PRO  HD+          31 PRO  HG-         3.00    (#   2526:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 498, 499,
 igr2= 501, 502,
 &end
#
#    0 AMB  20-2:2527     0 AMB  20-1:2527   3.00    (#   2527:20  Double Ambig)
 &rst
  ixpk= 2527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=2285,1260,
 igr2= 501, 502,1254,1255,
 &end
#
#    0 AMB  20-2:2528     0 AMB  20-1:2528   3.00    (#   2528:20  Double Ambig)
 &rst
  ixpk= 2528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1251,1252, 498, 499,
 igr2=1254,1255, 501, 502,
 &end
#
#   31 PRO  HB-          31 PRO  HG-         3.00    (#   2529:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2529, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 504, 505,
 igr2= 501, 502,
 &end
#
#    0 AMB  20-2:2530    31 PRO  HG-         3.00    (#   2530:20  Single Ambig)
 &rst
  ixpk= 2530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279,
 igr2= 501, 502,
 &end
#
#    0 AMB  20-2:2531    31 PRO  HG-         3.00    (#   2531:20  Single Ambig)
 &rst
  ixpk= 2531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=2292,2293,2294,2296,2297,2298,1015,1016,1017,1019,
      1020,1021,
 igr2= 501, 502,
 &end
#
#   71 ARG  HA           71 ARG  HG-         4.00    (#   2535:20  Unique         2.15, 2.54 A)
 &rst
  ixpk= 2535, nxpk= 20, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1152,1153,
 &end
#
#   78 PRO  HD+          78 PRO  HG+         3.00    (#   2542:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1251,1252,
 igr2=1254,1255,
 &end
#
#    0 AMB  20-2:2544     0 AMB  20-1:2544   4.00    (#   2544:20  Double Ambig)
 &rst
  ixpk= 2544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1260,1560,
 igr2=1254,1255,1254,1255,
 &end
#
#    0 AMB  20-2:2549     0 AMB  20-1:2549   5.00    (#   2549:20  Double Ambig)
 &rst
  ixpk= 2549, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.20, r4=10.70,
 igr1=1228,1229,1230,1232,1233,1234,1536,1537,1538,1540,
      1541,1542,
 igr2=1135,1136,1135,1136,1135,1136,
 &end
#
#   31 PRO  HA           31 PRO  HG-         4.00    (#   2552:20  Unique         3.88, 3.93 A)
 &rst
  ixpk= 2552, nxpk= 20, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 501, 502,
 &end
#
#  102 LEU  HG           10 LEU  HG          5.00    (#   2555:20  Unique         5.30, 6.58 A)
 &rst
  ixpk= 2555, nxpk= 20, iat=1615, 170, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   71 ARG  HA           71 ARG  HG+         3.00    (#   2556:20  Unique         2.15, 2.54 A)
 &rst
  ixpk= 2556, nxpk= 20, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1152,1153,
 &end
#
#    0 AMB  20-2:2557     0 AMB  20-1:2557   3.00    (#   2557:20  Double Ambig)
 &rst
  ixpk= 2557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1155,1156, 669, 670,
 igr2=1152,1153,1152,1153,
 &end
#
#    0 AMB  20-2:2560    71 ARG  HG-         3.00    (#   2560:20  Single Ambig)
 &rst
  ixpk= 2560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1155,1156, 669, 670,
 igr2=1152,1153,
 &end
#
#    6 PRO  HB-           0 AMB  20-1:2573   3.00    (#   2573:20  Single Ambig)
 &rst
  ixpk= 2573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 110, 111,
 igr2= 107, 108, 107, 108,
 &end
#
#    3 LEU  MDX           3 LEU  HG          3.00    (#   2575:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2575, nxpk= 20, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    3 LEU  MDY           3 LEU  HG          3.00    (#   2576:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2576, nxpk= 20, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    3 LEU  HA            3 LEU  HG          5.00    (#   2577:20  Unique         2.81, 3.18 A)
 &rst
  ixpk= 2577, nxpk= 20, iat=  45,  50, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 LEU  HB+          10 LEU  HG          3.00    (#   2578:20  Unique         2.21, 2.51 A)
 &rst
  ixpk= 2578, nxpk= 20, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 167, 168,
 &end
#
#   10 LEU  MDY          10 LEU  HG          3.00    (#   2579:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2579, nxpk= 20, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 172, 173, 174, 176, 177, 178,
 &end
#
#   94 ILE  HB           17 LEU  HG          3.00    (#   2580:20  Unique         2.66, 3.58 A)
 &rst
  ixpk= 2580, nxpk= 20, iat=1495, 281, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:2581     0 AMB  20-1:2581   4.00    (#   2581:20  Double Ambig)
 &rst
  ixpk= 2581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 351, 352, 353, 517, 518, 519, 554, 555,
 igr2= 366, 367, 366, 367, 366, 367,
 &end
#
#  123 LEU  HB-         123 LEU  HG          4.00    (#   2582:20  Unique         2.24, 2.69 A)
 &rst
  ixpk= 2582, nxpk= 20, iat=  -1,1945, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1942,1943,
 &end
#
#    3 LEU  HG          123 LEU  HG          6.00    (#   2583:20  Unique         3.36, 4.51 A)
 &rst
  ixpk= 2583, nxpk= 20, iat=  50,1945, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 ILE  QD1          94 ILE  HG1+        3.00    (#   2592:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 2592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1504,1505,1506,
 igr2=1501,1502,
 &end
#
#    0 AMB  20-2:2599     0 AMB  20-1:2599   5.00    (#   2599:20  Double Ambig)
 &rst
  ixpk= 2599, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 121, 122, 121, 122,  69,  70,  69,  70,
 igr2= 107, 108, 107, 108, 107, 108,
 &end
#
#    0 AMB  20-2:2601     0 AMB  20-1:2601   3.00    (#   2601:20  Double Ambig)
 &rst
  ixpk= 2601, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2253,2254,2253,2254,
 igr2=2250,2251,2250,2251,
 &end
#
#    0 AMB  20-2:2602     0 AMB  20-1:2602   3.00    (#   2602:20  Double Ambig)
 &rst
  ixpk= 2602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=2247,2248,2247,2248, 387, 388,
 igr2=2250,2251,2250,2251, 366, 367,
 &end
#
#  142 ARG  HA          142 ARG  HG+         3.00    (#   2603:20  Unique         2.04, 3.04 A)
 &rst
  ixpk= 2603, nxpk= 20, iat=2245,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2250,2251,
 &end
#
#    0 AMB  20-2:2604     0 AMB  20-1:2604   3.00    (#   2604:20  Double Ambig)
 &rst
  ixpk= 2604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=2191, 361,
 igr2=2250,2251, 366, 367,
 &end
#
#  143 VAL  MGX           0 AMB  20-1:2605   3.00    (#   2605:20  Single Ambig)
 &rst
  ixpk= 2605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=2273,2274,2275,2277,2278,2279,
 igr2=1964,1965,2250,2251,
 &end
#
#    0 AMB  20-2:2606    10 LEU  HG          4.00    (#   2606:20  Single Ambig)
 &rst
  ixpk= 2606, nxpk= 20, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 361, 150,
 &end
#
#    0 AMB  20-2:2607    10 LEU  HG          6.00    (#   2607:20  Single Ambig)
 &rst
  ixpk= 2607, nxpk= 20, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 554, 555, 517, 518, 519, 138, 139,
 &end
#
#    0 AMB  20-2:2608    10 LEU  HG          3.00    (#   2608:20  Single Ambig)
 &rst
  ixpk= 2608, nxpk= 20, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 557, 558, 559, 172, 173, 174, 176, 177, 178,
 &end
#
#   18 ASN  HA           17 LEU  HG          4.00    (#   2609:20  Unique         4.53, 7.04 A)
 &rst
  ixpk= 2609, nxpk= 20, iat= 295, 281, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:2610     0 AMB  20-1:2610   3.00    (#   2610:20  Double Ambig)
 &rst
  ixpk= 2610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 501, 502,1495,1010,1011,
 igr2=2290, 281,
 &end
#
#   17 LEU  HB-          17 LEU  HG          3.00    (#   2611:20  Unique         2.24, 2.48 A)
 &rst
  ixpk= 2611, nxpk= 20, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 278, 279,
 &end
#
#    0 AMB  20-2:2612     0 AMB  20-1:2612   3.00    (#   2612:20  Double Ambig)
 &rst
  ixpk= 2612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 283, 284, 285, 287, 288, 289,2292,2293,2294,2296,
      2297,2298,
 igr2= 281,2290,
 &end
#
#    0 AMB  20-2:2613     0 AMB  20-1:2613   3.00    (#   2613:20  Double Ambig)
 &rst
  ixpk= 2613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 515,1429, 361,1365,
 igr2= 444, 445,1437,1438,
 &end
#
#    0 AMB  20-2:2615     0 AMB  20-1:2615   3.00    (#   2615:20  Double Ambig)
 &rst
  ixpk= 2615, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 436,1610,
 igr2= 444, 445, 138, 139,
 &end
#
#    8 PRO  HD+           8 PRO  HG-         4.00    (#   2616:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2616, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 135, 136,
 igr2= 138, 139,
 &end
#
#    8 PRO  HD-           8 PRO  HG-         4.00    (#   2617:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 135, 136,
 igr2= 138, 139,
 &end
#
#    0 AMB  20-2:2618     0 AMB  20-1:2618   4.00    (#   2618:20  Double Ambig)
 &rst
  ixpk= 2618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 141, 142, 772, 773,
 igr2= 138, 139,1437,1438,
 &end
#
#    0 AMB  20-2:2619     8 PRO  HG-         3.00    (#   2619:20  Single Ambig)
 &rst
  ixpk= 2619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  15,  16,  17, 141, 142,1657,1658,1659,
 igr2= 138, 139,
 &end
#
#    0 AMB  20-2:2621     0 AMB  20-1:2621   3.00    (#   2621:20  Double Ambig)
 &rst
  ixpk= 2621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1617,1618,1619,1621,1622,1623, 424, 425, 426, 428,
       429, 430, 447, 448, 449,
 igr2= 138, 139, 444, 445,
 &end
#
#    0 AMB  20-2:2624   102 LEU  HG          4.00    (#   2624:20  Single Ambig)
 &rst
  ixpk= 2624, nxpk= 20, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1602,1603,1604, 167, 168,
 &end
#
#    0 AMB  20-2:2627   123 LEU  HG          3.00    (#   2627:20  Single Ambig)
 &rst
  ixpk= 2627, nxpk= 20, iat=  -1,1945, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=  52,  53,  54,  56,  57,  58,1947,1948,1949,1951,
      1952,1953,
 &end
#
#  123 LEU  MDY         123 LEU  HG          4.00    (#   2628:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2628, nxpk= 20, iat=  -1,1945, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1947,1948,1949,1951,1952,1953,
 &end
#
#    8 PRO  HD+           8 PRO  HG+         4.00    (#   2630:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2630, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 135, 136,
 igr2= 138, 139,
 &end
#
#    8 PRO  HD-           8 PRO  HG+         4.00    (#   2631:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 135, 136,
 igr2= 138, 139,
 &end
#
#    8 PRO  HB-           8 PRO  HG+         4.00    (#   2632:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 141, 142,
 igr2= 138, 139,
 &end
#
#    0 AMB  20-2:2633     0 AMB  20-1:2633   3.00    (#   2633:20  Double Ambig)
 &rst
  ixpk= 2633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=  15,  16,  17, 141, 142,1657,1658,1659,
 igr2= 138, 139, 138, 139, 138, 139,
 &end
#
#  102 LEU  MDX           8 PRO  HG+         3.00    (#   2634:20  Unique         1.94, 4.33 A)
 &rst
  ixpk= 2634, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2= 138, 139,
 &end
#
#    0 AMB  20-2:2635     0 AMB  20-1:2635   3.00    (#   2635:20  Double Ambig)
 &rst
  ixpk= 2635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 438, 366, 367,
 igr2= 444, 445, 444, 445,
 &end
#
#   26 LEU  MDY          27 ILE  HG1+        3.00    (#   2637:20  Unique         1.95, 5.79 A)
 &rst
  ixpk= 2637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 424, 425, 426, 428, 429, 430,
 igr2= 444, 445,
 &end
#
#    0 AMB  20-2:2638     0 AMB  20-1:2638   5.00    (#   2638:20  Double Ambig)
 &rst
  ixpk= 2638, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 436,1916,1917,
 igr2= 444, 445, 444, 445,
 &end
#
#    4 ARG  HD-           4 ARG  HB-         5.00    (#   2643:20  Unique         2.02, 3.07 A)
 &rst
  ixpk= 2643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  72,  73,
 igr2=  66,  67,
 &end
#
#  144 LEU  HA          144 LEU  HG          4.00    (#   2644:20  Unique         2.38, 2.68 A)
 &rst
  ixpk= 2644, nxpk= 20, iat=2285,2290, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:2645     0 AMB  20-1:2645   3.00    (#   2645:20  Double Ambig)
 &rst
  ixpk= 2645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2292,2293,2294,2296,2297,2298,1299,1300,1301,
 igr2=2290, 281,
 &end
#
#  102 LEU  MDX         102 LEU  HG          3.00    (#   2646:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2646, nxpk= 20, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#  102 LEU  HA          102 LEU  HG          4.00    (#   2647:20  Unique         2.32, 2.82 A)
 &rst
  ixpk= 2647, nxpk= 20, iat=1610,1615, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 LEU  HA           26 LEU  MDY         5.00    (#   2648:20  Unique         1.97, 4.23 A)
 &rst
  ixpk= 2648, nxpk= 20, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   23 ARG  HA           26 LEU  MDY         4.00    (#   2649:20  Unique         1.96, 3.70 A)
 &rst
  ixpk= 2649, nxpk= 20, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:2650     0 AMB  20-1:2650   3.00    (#   2650:20  Double Ambig)
 &rst
  ixpk= 2650, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 422, 278, 279, 363, 364,
 igr2= 424, 425, 426, 428, 429, 430,1501,1502,
 &end
#
#   32 THR  MG2          26 LEU  MDY         3.00    (#   2652:20  Unique         1.97, 4.22 A)
 &rst
  ixpk= 2652, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 517, 518, 519,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   58 TYR  HB-          62 LEU  MDY         5.00    (#   2654:20  Unique         1.92, 4.72 A)
 &rst
  ixpk= 2654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 943, 944,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   58 TYR  HB+          62 LEU  MDY         5.00    (#   2655:20  Unique         1.92, 4.72 A)
 &rst
  ixpk= 2655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 943, 944,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   33 LEU  HB+          62 LEU  MDY         5.00    (#   2656:20  Unique         1.92, 3.36 A)
 &rst
  ixpk= 2656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 529, 530,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#    0 AMB  20-2:2657    62 LEU  MDY         3.00    (#   2657:20  Single Ambig)
 &rst
  ixpk= 2657, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1010,1011, 501, 502, 504, 505,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   62 LEU  HG           62 LEU  MDY         3.00    (#   2658:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2658, nxpk= 20, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#    0 AMB  20-2:2659    62 LEU  MDY         3.00    (#   2659:20  Single Ambig)
 &rst
  ixpk= 2659, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1010,1011, 534, 535, 536, 538, 539, 540,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   64 VAL  MGX          62 LEU  MDY         3.00    (#   2660:20  Unique         1.92, 5.25 A)
 &rst
  ixpk= 2660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1045,1046,1047,1049,1050,1051,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#  140 VAL  MGY          62 LEU  MDY         3.00    (#   2661:20  Unique         1.95, 4.76 A)
 &rst
  ixpk= 2661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#    8 PRO  HG+         102 LEU  HG          3.00    (#   2663:20  Unique         1.89, 3.00 A)
 &rst
  ixpk= 2663, nxpk= 20, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 138, 139,
 &end
#
#    0 AMB  20-2:2664   102 LEU  HG          4.00    (#   2664:20  Single Ambig)
 &rst
  ixpk= 2664, nxpk= 20, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1608,1617,1618,1619,1621,1622,1623,
 &end
#
#  102 LEU  HB-         102 LEU  HG          3.00    (#   2665:20  Unique         2.24, 2.69 A)
 &rst
  ixpk= 2665, nxpk= 20, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1612,1613,
 &end
#
#    0 AMB  20-2:2666   102 LEU  HG          3.00    (#   2666:20  Single Ambig)
 &rst
  ixpk= 2666, nxpk= 20, iat=  -1,1615, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1612,1613,1633,1634,1635,
 &end
#
#  140 VAL  MGX         136 LEU  HG          4.00    (#   2668:20  Unique         2.10, 6.62 A)
 &rst
  ixpk= 2668, nxpk= 20, iat=  -1,2140, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#  136 LEU  MDX         136 LEU  HG          3.00    (#   2669:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2669, nxpk= 20, iat=  -1,2140, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2142,2143,2144,2146,2147,2148,
 &end
#
#  136 LEU  MDY         136 LEU  HG          3.00    (#   2670:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2670, nxpk= 20, iat=  -1,2140, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2142,2143,2144,2146,2147,2148,
 &end
#
#    0 AMB  20-2:2671    10 LEU  MDX         5.00    (#   2671:20  Single Ambig)
 &rst
  ixpk= 2671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 361, 150,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#    0 AMB  20-2:2672    10 LEU  MDX         3.00    (#   2672:20  Single Ambig)
 &rst
  ixpk= 2672, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 121, 122, 170,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   92 GLN  HA           92 GLN  HB-         5.00    (#   2675:20  Unique         2.30, 2.49 A)
 &rst
  ixpk= 2675, nxpk= 20, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1464,1465,
 &end
#
#    0 AMB  20-2:2676    92 GLN  HB-         5.00    (#   2676:20  Single Ambig)
 &rst
  ixpk= 2676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1478,1479,1478,1479,
 igr2=1464,1465,
 &end
#
#   62 LEU  MDY          33 LEU  MDX         3.00    (#   2679:20  Unique         1.97, 5.55 A)
 &rst
  ixpk= 2679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1015,1016,1017,1019,1020,1021,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   51 VAL  MGX          33 LEU  MDX         4.00    (#   2680:20  Unique         4.59, 8.15 A)
 &rst
  ixpk= 2680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   10 LEU  HA           10 LEU  MDX         5.00    (#   2681:20  Unique         1.94, 3.38 A)
 &rst
  ixpk= 2681, nxpk= 20, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   10 LEU  HB+          10 LEU  MDX         3.00    (#   2682:20  Unique         1.98, 3.46 A)
 &rst
  ixpk= 2682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 167, 168,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   23 ARG  HB+          10 LEU  MDX         3.00    (#   2683:20  Unique         2.17, 5.40 A)
 &rst
  ixpk= 2683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 363, 364,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#    3 LEU  HA          123 LEU  MDX         3.00    (#   2685:20  Unique         2.04, 4.57 A)
 &rst
  ixpk= 2685, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#  123 LEU  HB+         123 LEU  MDX         3.00    (#   2686:20  Unique         2.03, 3.35 A)
 &rst
  ixpk= 2686, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1942,1943,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#  123 LEU  HG          123 LEU  MDX         3.00    (#   2687:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2687, nxpk= 20, iat=1945,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#    0 AMB  20-2:2693     0 AMB  20-1:2693   6.00    (#   2693:20  Double Ambig)
 &rst
  ixpk= 2693, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1478,1479,1478,1479,
 igr2=1464,1465,1464,1465,
 &end
#
#   21 VAL  MGX          26 LEU  HG          3.00    (#   2697:20  Unique         2.01, 5.04 A)
 &rst
  ixpk= 2697, nxpk= 20, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 335, 336, 337, 339, 340, 341,
 &end
#
#   33 LEU  HB+          33 LEU  MDX         3.00    (#   2698:20  Unique         2.02, 3.39 A)
 &rst
  ixpk= 2698, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 529, 530,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  136 LEU  MDY          33 LEU  MDX         4.00    (#   2699:20  Unique         1.94, 4.58 A)
 &rst
  ixpk= 2699, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2142,2143,2144,2146,2147,2148,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  126 PHE  HB-         123 LEU  MDX         4.00    (#   2700:20  Unique         2.01, 3.85 A)
 &rst
  ixpk= 2700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2002,2003,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#    0 AMB  20-2:2701   123 LEU  MDX         3.00    (#   2701:20  Single Ambig)
 &rst
  ixpk= 2701, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=  11,  12,  11,  12,  93,  94,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#    1 MET  HB+         123 LEU  MDX         3.00    (#   2702:20  Unique         2.08, 5.40 A)
 &rst
  ixpk= 2702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=   8,   9,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#   26 LEU  HA           26 LEU  HG          6.00    (#   2706:20  Unique         2.87, 3.36 A)
 &rst
  ixpk= 2706, nxpk= 20, iat= 417, 422, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 ILE  QD1          39 ILE  HG1+        4.00    (#   2708:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 2708, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 648, 649, 650,
 igr2= 645, 646,
 &end
#
#   82 LYS  HA           17 LEU  MDX         3.00    (#   2710:20  Unique         1.96, 2.85 A)
 &rst
  ixpk= 2710, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#   82 LYS  HB-          17 LEU  MDX         3.00    (#   2711:20  Unique         1.97, 4.39 A)
 &rst
  ixpk= 2711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1316,1317,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#   17 LEU  HB-          17 LEU  MDX         3.00    (#   2712:20  Unique         2.16, 3.48 A)
 &rst
  ixpk= 2712, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 278, 279,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#   81 ILE  QG2          17 LEU  MDX         3.00    (#   2713:20  Unique         1.96, 5.08 A)
 &rst
  ixpk= 2713, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1299,1300,1301,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#  141 ASN  HA          144 LEU  MDY         4.00    (#   2714:20  Unique         1.94, 4.40 A)
 &rst
  ixpk= 2714, nxpk= 20, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2292,2293,2294,2296,2297,2298,
 &end
#
#  144 LEU  HA          144 LEU  MDY         4.00    (#   2715:20  Unique         2.04, 4.02 A)
 &rst
  ixpk= 2715, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2292,2293,2294,2296,2297,2298,
 &end
#
#   61 GLN  HB+         144 LEU  MDY         5.00    (#   2716:20  Unique         1.97, 3.87 A)
 &rst
  ixpk= 2716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 993, 994,
 igr2=2292,2293,2294,2296,2297,2298,
 &end
#
#  144 LEU  HB+         144 LEU  MDY         3.00    (#   2717:20  Unique         1.94, 3.26 A)
 &rst
  ixpk= 2717, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2287,2288,
 igr2=2292,2293,2294,2296,2297,2298,
 &end
#
#    0 AMB  20-2:2718   144 LEU  MDY         3.00    (#   2718:20  Single Ambig)
 &rst
  ixpk= 2718, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2290,1013,
 igr2=2292,2293,2294,2296,2297,2298,
 &end
#
#  144 LEU  HB-         144 LEU  MDY         3.00    (#   2719:20  Unique         1.94, 3.26 A)
 &rst
  ixpk= 2719, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2287,2288,
 igr2=2292,2293,2294,2296,2297,2298,
 &end
#
#  143 VAL  MGX         144 LEU  MDY         5.00    (#   2721:20  Unique         2.05, 6.27 A)
 &rst
  ixpk= 2721, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=2273,2274,2275,2277,2278,2279,
 igr2=2292,2293,2294,2296,2297,2298,
 &end
#
#  136 LEU  HA          136 LEU  MDY         6.00    (#   2722:20  Unique         1.91, 3.50 A)
 &rst
  ixpk= 2722, nxpk= 20, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=2142,2143,2144,2146,2147,2148,
 &end
#
#    0 AMB  20-2:2723   136 LEU  MDY         3.00    (#   2723:20  Single Ambig)
 &rst
  ixpk= 2723, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=2022,2023,2137,2138,
 igr2=2142,2143,2144,2146,2147,2148,
 &end
#
#    0 AMB  20-2:2724   136 LEU  MDY         3.00    (#   2724:20  Single Ambig)
 &rst
  ixpk= 2724, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=2193,2194,2137,2138,2140,
 igr2=2142,2143,2144,2146,2147,2148,
 &end
#
#  116 VAL  MGX         136 LEU  MDY         4.00    (#   2725:20  Unique         2.26, 6.23 A)
 &rst
  ixpk= 2725, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1836,1837,1838,1840,1841,1842,
 igr2=2142,2143,2144,2146,2147,2148,
 &end
#
#  139 ARG  HB+         139 ARG  HG-         5.00    (#   2727:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 2727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2193,2194,
 igr2=2196,2197,
 &end
#
#   39 ILE  QG2          39 ILE  HG1-        5.00    (#   2728:20  Unique         2.23, 3.54 A)
 &rst
  ixpk= 2728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 641, 642, 643,
 igr2= 645, 646,
 &end
#
#   39 ILE  QD1          39 ILE  HG1-        3.00    (#   2729:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 2729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 648, 649, 650,
 igr2= 645, 646,
 &end
#
#   77 ASP  HB+          80 LYS  HG+         5.00    (#   2730:20  Unique         1.91, 4.10 A)
 &rst
  ixpk= 2730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1242,1243,
 igr2=1278,1279,
 &end
#
#   39 ILE  QD1          80 LYS  HG-         4.00    (#   2731:20  Unique         2.32, 3.76 A)
 &rst
  ixpk= 2731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 648, 649, 650,
 igr2=1278,1279,
 &end
#
#    0 AMB  20-2:2734     0 AMB  20-1:2734   4.00    (#   2734:20  Double Ambig)
 &rst
  ixpk= 2734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=2107,2108,2199,2200,
 igr2=2104,2105,2196,2197,
 &end
#
#   70 PRO  HB-          76 LEU  MDY         3.00    (#   2736:20  Unique         2.16, 5.03 A)
 &rst
  ixpk= 2736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1138,1139,
 igr2=1228,1229,1230,1232,1233,1234,
 &end
#
#    0 AMB  20-2:2737    17 LEU  MDX         3.00    (#   2737:20  Single Ambig)
 &rst
  ixpk= 2737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1319,1320,1377,1378,1379, 278, 279, 281,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#   81 ILE  QD1          17 LEU  MDX         6.00    (#   2738:20  Unique         4.51, 7.77 A)
 &rst
  ixpk= 2738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1306,1307,1308,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#  133 MET  ME          136 LEU  MDY         4.00    (#   2740:20  Unique         1.95, 4.99 A)
 &rst
  ixpk= 2740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=2088,2089,2090,
 igr2=2142,2143,2144,2146,2147,2148,
 &end
#
#  139 ARG  HB-         139 ARG  HG-         5.00    (#   2743:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 2743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2193,2194,
 igr2=2196,2197,
 &end
#
#   36 PHE  HB+         113 ALA  MB          3.00    (#   2751:20  Unique         2.05, 4.68 A)
 &rst
  ixpk= 2751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 584, 585,
 igr2=1782,1783,1784,
 &end
#
#    0 AMB  20-2:2752     0 AMB  20-1:2752   3.00    (#   2752:20  Double Ambig)
 &rst
  ixpk= 2752, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1336, 637,
 igr2=1319,1320, 728, 729,
 &end
#
#  138 LYS  HA          138 LYS  HG+         4.00    (#   2753:20  Unique         3.00, 3.75 A)
 &rst
  ixpk= 2753, nxpk= 20, iat=2169,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2174,2175,
 &end
#
#   82 LYS  HA           82 LYS  HG+         4.00    (#   2754:20  Unique         2.18, 3.13 A)
 &rst
  ixpk= 2754, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1319,1320,
 &end
#
#    0 AMB  20-2:2755     0 AMB  20-1:2755   3.00    (#   2755:20  Double Ambig)
 &rst
  ixpk= 2755, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2156,2157,1338,1339,
 igr2=2174,2175,1319,1320,
 &end
#
#    0 AMB  20-2:2756     0 AMB  20-1:2756   3.00    (#   2756:20  Double Ambig)
 &rst
  ixpk= 2756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1273,1375,
 igr2=1278,1279,1319,1320,
 &end
#
#   80 LYS  HE-          80 LYS  HG+         3.00    (#   2757:20  Unique         2.03, 3.37 A)
 &rst
  ixpk= 2757, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1284,1285,
 igr2=1278,1279,
 &end
#
#    0 AMB  20-2:2758     0 AMB  20-1:2758   3.00    (#   2758:20  Double Ambig)
 &rst
  ixpk= 2758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1275,1276,2171,2172,
 igr2=1278,1279,2174,2175,
 &end
#
#    0 AMB  20-2:2759     0 AMB  20-1:2759   3.00    (#   2759:20  Double Ambig)
 &rst
  ixpk= 2759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1322,1323,1281,1282,1281,1282,
 igr2=1319,1320,1278,1279,1278,1279,
 &end
#
#   82 LYS  HA           82 LYS  HG-         4.00    (#   2760:20  Unique         2.18, 3.13 A)
 &rst
  ixpk= 2760, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1319,1320,
 &end
#
#   17 LEU  MDY          82 LYS  HG-         5.00    (#   2761:20  Unique         1.93, 4.52 A)
 &rst
  ixpk= 2761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 283, 284, 285, 287, 288, 289,
 igr2=1319,1320,
 &end
#
#   80 LYS  HA           80 LYS  HG-         3.00    (#   2762:20  Unique         3.33, 3.70 A)
 &rst
  ixpk= 2762, nxpk= 20, iat=1273,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1278,1279,
 &end
#
#    0 AMB  20-2:2763     0 AMB  20-1:2763   4.00    (#   2763:20  Double Ambig)
 &rst
  ixpk= 2763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1242,1243,2199,2200,
 igr2=1278,1279,2196,2197,
 &end
#
#  138 LYS  HA          138 LYS  HG-         3.00    (#   2765:20  Unique         3.00, 3.75 A)
 &rst
  ixpk= 2765, nxpk= 20, iat=2169,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2174,2175,
 &end
#
#  138 LYS  HE+         138 LYS  HG-         3.00    (#   2766:20  Unique         1.97, 3.14 A)
 &rst
  ixpk= 2766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2180,2181,
 igr2=2174,2175,
 &end
#
#  138 LYS  HB+         138 LYS  HG-         3.00    (#   2767:20  Unique         2.33, 2.62 A)
 &rst
  ixpk= 2767, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2171,2172,
 igr2=2174,2175,
 &end
#
#    0 AMB  20-2:2772     0 AMB  20-1:2772   3.00    (#   2772:20  Double Ambig)
 &rst
  ixpk= 2772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1223,1224,  47,  48,  50,
 igr2=1228,1229,1230,1232,1233,1234,  52,  53,  54,  56,
        57,  58,
 &end
#
#   76 LEU  HG           76 LEU  MDY         3.00    (#   2773:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2773, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1228,1229,1230,1232,1233,1234,
 &end
#
#  111 VAL  MGX         113 ALA  MB          4.00    (#   2792:20  Unique         3.08, 6.45 A)
 &rst
  ixpk= 2792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1754,1755,1756,1758,1759,1760,
 igr2=1782,1783,1784,
 &end
#
#    0 AMB  20-2:2793   113 ALA  MB          3.00    (#   2793:20  Single Ambig)
 &rst
  ixpk= 2793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1731,1732, 584, 585,
 igr2=1782,1783,1784,
 &end
#
#    2 LYS  HA            2 LYS  HG-         3.00    (#   2798:20  Unique         2.40, 3.58 A)
 &rst
  ixpk= 2798, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  28,  29,
 &end
#
#    5 GLN  HG+           2 LYS  HG-         5.00    (#   2799:20  Unique         2.20, 4.33 A)
 &rst
  ixpk= 2799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  93,  94,
 igr2=  28,  29,
 &end
#
#   80 LYS  HE-          80 LYS  HG-         3.00    (#   2802:20  Unique         2.03, 3.37 A)
 &rst
  ixpk= 2802, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1284,1285,
 igr2=1278,1279,
 &end
#
#    0 AMB  20-2:2803     0 AMB  20-1:2803   3.00    (#   2803:20  Double Ambig)
 &rst
  ixpk= 2803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  25,  26,1275,1276,
 igr2=  28,  29,1278,1279,
 &end
#
#    0 AMB  20-2:2804     0 AMB  20-1:2804   4.00    (#   2804:20  Double Ambig)
 &rst
  ixpk= 2804, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1=  69,  70,1367,1368,1369,  15,  16,  17,
 igr2=  28,  29,1319,1320,
 &end
#
#    5 GLN  HG+           2 LYS  HG-         5.00    (#   2805:20  Unique         2.20, 4.33 A)
 &rst
  ixpk= 2805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  93,  94,
 igr2=  28,  29,
 &end
#
#    0 AMB  20-2:2806   138 LYS  HG-         6.00    (#   2806:20  Single Ambig)
 &rst
  ixpk= 2806, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2156,2157,2159,2160,
 igr2=2174,2175,
 &end
#
#   31 PRO  HD+          30 LYS  HG+         5.00    (#   2808:20  Unique         2.49, 4.01 A)
 &rst
  ixpk= 2808, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 498, 499,
 igr2= 482, 483,
 &end
#
#   33 LEU  HB+          33 LEU  MDY         4.00    (#   2809:20  Unique         2.02, 3.39 A)
 &rst
  ixpk= 2809, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 529, 530,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  HG           33 LEU  MDY         3.00    (#   2810:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2810, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#    0 AMB  20-2:2812    33 LEU  MDY         3.00    (#   2812:20  Single Ambig)
 &rst
  ixpk= 2812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
      1841,1842,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   57 LYS  HB-          57 LYS  HG-         3.00    (#   2814:20  Unique         2.26, 2.73 A)
 &rst
  ixpk= 2814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 921, 922,
 igr2= 924, 925,
 &end
#
#    3 LEU  HA            3 LEU  MDX         4.00    (#   2815:20  Unique         1.92, 3.88 A)
 &rst
  ixpk= 2815, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    3 LEU  HB-           3 LEU  MDX         3.00    (#   2816:20  Unique         2.18, 3.31 A)
 &rst
  ixpk= 2816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=  47,  48,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   43 LEU  HB-         112 PRO  HG+         3.00    (#   2826:20  Unique         1.96, 3.17 A)
 &rst
  ixpk= 2826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 696, 697,
 igr2=1768,1769,
 &end
#
#   35 HIS  HB+          33 LEU  MDY         5.00    (#   2836:20  Unique         2.45, 5.31 A)
 &rst
  ixpk= 2836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 567, 568,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   35 HIS  HB+          33 LEU  MDY         5.00    (#   2837:20  Unique         2.45, 5.31 A)
 &rst
  ixpk= 2837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 567, 568,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  114 TYR  HB-          33 LEU  MDY         3.00    (#   2838:20  Unique         2.06, 4.56 A)
 &rst
  ixpk= 2838, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1792,1793,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  114 TYR  HB+          33 LEU  MDY         4.00    (#   2839:20  Unique         2.06, 4.56 A)
 &rst
  ixpk= 2839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1792,1793,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#    0 AMB  20-2:2840    33 LEU  MDY         5.00    (#   2840:20  Single Ambig)
 &rst
  ixpk= 2840, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1834, 548,2271,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  HB-          33 LEU  MDY         3.00    (#   2841:20  Unique         2.02, 3.39 A)
 &rst
  ixpk= 2841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 529, 530,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  136 LEU  MDX          33 LEU  MDY         3.00    (#   2842:20  Unique         1.94, 4.58 A)
 &rst
  ixpk= 2842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=2142,2143,2144,2146,2147,2148,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  136 LEU  MDY          33 LEU  MDY         4.00    (#   2843:20  Unique         1.94, 4.58 A)
 &rst
  ixpk= 2843, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2142,2143,2144,2146,2147,2148,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   57 LYS  HA           57 LYS  HG-         3.00    (#   2844:20  Unique         2.29, 3.26 A)
 &rst
  ixpk= 2844, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 924, 925,
 &end
#
#   57 LYS  HE-          57 LYS  HG-         3.00    (#   2845:20  Unique         2.02, 3.55 A)
 &rst
  ixpk= 2845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 930, 931,
 igr2= 924, 925,
 &end
#
#   57 LYS  HA           57 LYS  HG+         4.00    (#   2852:20  Unique         2.29, 3.26 A)
 &rst
  ixpk= 2852, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 924, 925,
 &end
#
#    0 AMB  20-2:2853     0 AMB  20-1:2853   3.00    (#   2853:20  Double Ambig)
 &rst
  ixpk= 2853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 921, 922, 927, 928,
 igr2= 924, 925, 924, 925,
 &end
#
#   57 LYS  HE-          57 LYS  HG+         3.00    (#   2858:20  Unique         2.02, 3.55 A)
 &rst
  ixpk= 2858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 930, 931,
 igr2= 924, 925,
 &end
#
#   57 LYS  HB-          57 LYS  HG+         3.00    (#   2859:20  Unique         2.26, 2.73 A)
 &rst
  ixpk= 2859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 921, 922,
 igr2= 924, 925,
 &end
#
#   67 VAL  MGX         102 LEU  MDY         3.00    (#   2860:20  Unique         2.08, 5.95 A)
 &rst
  ixpk= 2860, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1087,1088,1089,1091,1092,1093,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#  144 LEU  HA          144 LEU  MDX         3.00    (#   2865:20  Unique         2.04, 4.02 A)
 &rst
  ixpk= 2865, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2292,2293,2294,2296,2297,2298,
 &end
#
#  144 LEU  HB-         144 LEU  MDX         3.00    (#   2866:20  Unique         1.94, 3.26 A)
 &rst
  ixpk= 2866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2287,2288,
 igr2=2292,2293,2294,2296,2297,2298,
 &end
#
#    3 LEU  MDX         123 LEU  MDY         6.00    (#   2867:20  Unique         1.99, 6.27 A)
 &rst
  ixpk= 2867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=  52,  53,  54,  56,  57,  58,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#  111 VAL  HA          111 VAL  MGX         3.00    (#   2870:20  Unique         2.17, 3.35 A)
 &rst
  ixpk= 2870, nxpk= 20, iat=1750,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1754,1755,1756,1758,1759,1760,
 &end
#
#    0 AMB  20-2:2871   111 VAL  MGX         4.00    (#   2871:20  Single Ambig)
 &rst
  ixpk= 2871, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 584, 585,1155,1156,
 igr2=1754,1755,1756,1758,1759,1760,
 &end
#
#   36 PHE  HB-         111 VAL  MGX         3.00    (#   2872:20  Unique         1.92, 3.99 A)
 &rst
  ixpk= 2872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 584, 585,
 igr2=1754,1755,1756,1758,1759,1760,
 &end
#
#    0 AMB  20-2:2873   111 VAL  MGX         3.00    (#   2873:20  Single Ambig)
 &rst
  ixpk= 2873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1752,1771,1772,
 igr2=1754,1755,1756,1758,1759,1760,
 &end
#
#    0 AMB  20-2:2874   111 VAL  MGX         3.00    (#   2874:20  Single Ambig)
 &rst
  ixpk= 2874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=1118,1119,1125,1126,1127,
 igr2=1754,1755,1756,1758,1759,1760,
 &end
#
#    0 AMB  20-2:2875   144 LEU  MDX         3.00    (#   2875:20  Single Ambig)
 &rst
  ixpk= 2875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2231, 498, 499,
 igr2=2292,2293,2294,2296,2297,2298,
 &end
#
#   31 PRO  HD-         144 LEU  MDX         4.00    (#   2876:20  Unique         1.96, 4.72 A)
 &rst
  ixpk= 2876, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 498, 499,
 igr2=2292,2293,2294,2296,2297,2298,
 &end
#
#   61 GLN  HB+         144 LEU  MDX         3.00    (#   2877:20  Unique         1.97, 3.87 A)
 &rst
  ixpk= 2877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 993, 994,
 igr2=2292,2293,2294,2296,2297,2298,
 &end
#
#  102 LEU  HG          102 LEU  MDX         3.00    (#   2879:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2879, nxpk= 20, iat=1615,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  20-2:2880   102 LEU  MDX         3.00    (#   2880:20  Single Ambig)
 &rst
  ixpk= 2880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 138, 139,1612,1613,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  20-2:2882   140 VAL  MGX         5.00    (#   2882:20  Single Ambig)
 &rst
  ixpk= 2882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2159,2160,2156,2157,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  123 LEU  HA          123 LEU  MDY         3.00    (#   2885:20  Unique         1.96, 3.67 A)
 &rst
  ixpk= 2885, nxpk= 20, iat=1940,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#  115 TYR  HB-         123 LEU  MDY         5.00    (#   2886:20  Unique         1.94, 4.09 A)
 &rst
  ixpk= 2886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1813,1814,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#  115 TYR  HB+         123 LEU  MDY         4.00    (#   2887:20  Unique         1.94, 4.09 A)
 &rst
  ixpk= 2887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1813,1814,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#  126 PHE  HB-         123 LEU  MDY         5.00    (#   2888:20  Unique         2.01, 3.85 A)
 &rst
  ixpk= 2888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2002,2003,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#  123 LEU  HB-         123 LEU  MDY         3.00    (#   2889:20  Unique         2.03, 3.35 A)
 &rst
  ixpk= 2889, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1942,1943,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#    1 MET  ME          123 LEU  MDY         5.00    (#   2890:20  Unique         2.44, 5.98 A)
 &rst
  ixpk= 2890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  15,  16,  17,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#    7 MET  HB+         123 LEU  MDY         6.00    (#   2891:20  Unique         7.29, 9.72 A)
 &rst
  ixpk= 2891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 121, 122,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#  123 LEU  HG          123 LEU  MDY         3.00    (#   2892:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2892, nxpk= 20, iat=1945,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#  123 LEU  HB+         123 LEU  MDY         3.00    (#   2894:20  Unique         2.03, 3.35 A)
 &rst
  ixpk= 2894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1942,1943,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#  119 LYS  HE+         119 LYS  HG-         4.00    (#   2899:20  Unique         1.99, 3.18 A)
 &rst
  ixpk= 2899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1891,1892,
 igr2=1885,1886,
 &end
#
#   66 ALA  MB           51 VAL  MGY         5.00    (#   2902:20  Unique         2.82, 5.15 A)
 &rst
  ixpk= 2902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1075,1076,1077,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  20-2:2903   144 LEU  MDX         3.00    (#   2903:20  Single Ambig)
 &rst
  ixpk= 2903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 993, 994,1010,1011, 501, 502,
 igr2=2292,2293,2294,2296,2297,2298,
 &end
#
#    0 AMB  20-2:2904   144 LEU  MDX         3.00    (#   2904:20  Single Ambig)
 &rst
  ixpk= 2904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2290,1013,
 igr2=2292,2293,2294,2296,2297,2298,
 &end
#
#   10 LEU  HA          102 LEU  MDX         3.00    (#   2905:20  Unique         1.95, 4.29 A)
 &rst
  ixpk= 2905, nxpk= 20, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  20-2:2906   102 LEU  MDX         3.00    (#   2906:20  Single Ambig)
 &rst
  ixpk= 2906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1610,1583,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  20-2:2907   102 LEU  MDX         3.00    (#   2907:20  Single Ambig)
 &rst
  ixpk= 2907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=  15,  16,  17, 141, 142,1702,1703,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#  140 VAL  HA          140 VAL  MGX         3.00    (#   2908:20  Unique         2.18, 3.18 A)
 &rst
  ixpk= 2908, nxpk= 20, iat=2215,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  20-2:2909   140 VAL  MGX         3.00    (#   2909:20  Single Ambig)
 &rst
  ixpk= 2909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2217,1010,1011,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  136 LEU  MDY         140 VAL  MGX         6.00    (#   2912:20  Unique         1.93, 6.11 A)
 &rst
  ixpk= 2912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=2142,2143,2144,2146,2147,2148,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#   10 LEU  HA           10 LEU  MDY         3.00    (#   2913:20  Unique         1.94, 3.38 A)
 &rst
  ixpk= 2913, nxpk= 20, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   10 LEU  HB+          10 LEU  MDY         3.00    (#   2914:20  Unique         1.98, 3.46 A)
 &rst
  ixpk= 2914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 167, 168,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#    0 AMB  20-2:2915    10 LEU  MDY         3.00    (#   2915:20  Single Ambig)
 &rst
  ixpk= 2915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 121, 122, 170,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#    0 AMB  20-2:2916     0 AMB  20-1:2916   3.00    (#   2916:20  Double Ambig)
 &rst
  ixpk= 2916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=2196,2197, 138, 139,
 igr2=2142,2143,2144,2146,2147,2148, 172, 173, 174, 176,
       177, 178,
 &end
#
#  102 LEU  HG           10 LEU  MDY         3.00    (#   2917:20  Unique         3.06, 5.59 A)
 &rst
  ixpk= 2917, nxpk= 20, iat=1615,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#  102 LEU  MDY          10 LEU  MDY         4.00    (#   2919:20  Unique         1.98, 5.09 A)
 &rst
  ixpk= 2919, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#  114 TYR  HB+         136 LEU  MDX         5.00    (#   2920:20  Unique         1.90, 3.66 A)
 &rst
  ixpk= 2920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1792,1793,
 igr2=2142,2143,2144,2146,2147,2148,
 &end
#
#    0 AMB  20-2:2921   136 LEU  MDX         3.00    (#   2921:20  Single Ambig)
 &rst
  ixpk= 2921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=2193,2194,2137,2138,2140,
 igr2=2142,2143,2144,2146,2147,2148,
 &end
#
#  136 LEU  HA          136 LEU  MDX         3.00    (#   2922:20  Unique         1.91, 3.50 A)
 &rst
  ixpk= 2922, nxpk= 20, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2142,2143,2144,2146,2147,2148,
 &end
#
#  114 TYR  HB-         136 LEU  MDX         4.00    (#   2923:20  Unique         1.90, 3.66 A)
 &rst
  ixpk= 2923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1792,1793,
 igr2=2142,2143,2144,2146,2147,2148,
 &end
#
#  135 MET  ME          136 LEU  MDX         4.00    (#   2924:20  Unique         1.94, 5.37 A)
 &rst
  ixpk= 2924, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=2127,2128,2129,
 igr2=2142,2143,2144,2146,2147,2148,
 &end
#
#    0 AMB  20-2:2925   136 LEU  MDX         3.00    (#   2925:20  Single Ambig)
 &rst
  ixpk= 2925, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=2022,2023,2137,2138,
 igr2=2142,2143,2144,2146,2147,2148,
 &end
#
#  133 MET  ME          136 LEU  MDX         4.00    (#   2926:20  Unique         1.95, 4.99 A)
 &rst
  ixpk= 2926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=2088,2089,2090,
 igr2=2142,2143,2144,2146,2147,2148,
 &end
#
#    0 AMB  20-2:2934    43 LEU  MDY         3.00    (#   2934:20  Single Ambig)
 &rst
  ixpk= 2934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=2054,2055, 694,2072,2073,
 igr2= 701, 702, 703, 705, 706, 707,
 &end
#
#    0 AMB  20-2:2936     0 AMB  20-1:2936   3.00    (#   2936:20  Double Ambig)
 &rst
  ixpk= 2936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1765,1766, 818,
 igr2= 701, 702, 703, 705, 706, 707, 822, 823, 824, 826,
       827, 828,
 &end
#
#    0 AMB  20-2:2937     0 AMB  20-1:2937   3.00    (#   2937:20  Double Ambig)
 &rst
  ixpk= 2937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 696, 697,2088,2089,2090,
 igr2= 701, 702, 703, 705, 706, 707, 822, 823, 824, 826,
       827, 828,
 &end
#
#   31 PRO  HB-          62 LEU  MDX         4.00    (#   2941:20  Unique         2.60, 6.02 A)
 &rst
  ixpk= 2941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 504, 505,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#    0 AMB  20-2:2942    62 LEU  MDX         3.00    (#   2942:20  Single Ambig)
 &rst
  ixpk= 2942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1010,1011, 534, 535, 536, 538, 539, 540,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   45 LYS  HD-          43 LEU  MDY         3.00    (#   2949:20  Unique         6.40, 9.92 A)
 &rst
  ixpk= 2949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 731, 732,
 igr2= 701, 702, 703, 705, 706, 707,
 &end
#
#   43 LEU  HB+          43 LEU  MDY         3.00    (#   2950:20  Unique         2.12, 3.38 A)
 &rst
  ixpk= 2950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 696, 697,
 igr2= 701, 702, 703, 705, 706, 707,
 &end
#
#   14 LYS  HE+          17 LEU  MDY         4.00    (#   2951:20  Unique         5.45, 8.94 A)
 &rst
  ixpk= 2951, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 231, 232,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#   14 LYS  HB-          96 VAL  MGX         3.00    (#   2953:20  Unique         1.92, 4.22 A)
 &rst
  ixpk= 2953, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 222, 223,
 igr2=1536,1537,1538,1540,1541,1542,
 &end
#
#    0 AMB  20-2:2954     0 AMB  20-1:2954   4.00    (#   2954:20  Double Ambig)
 &rst
  ixpk= 2954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1562,1563,1562,1563,
 igr2=1228,1229,1230,1232,1233,1234,1536,1537,1538,1540,
      1541,1542,
 &end
#
#    0 AMB  20-2:2955     0 AMB  20-1:2955   6.00    (#   2955:20  Double Ambig)
 &rst
  ixpk= 2955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
 igr1=1242,1243, 885, 886,1771,1772,
 igr2=1228,1229,1230,1232,1233,1234, 822, 823, 824, 826,
       827, 828, 701, 702, 703, 705, 706, 707,
 &end
#
#    0 AMB  20-2:2956     0 AMB  20-1:2956   3.00    (#   2956:20  Double Ambig)
 &rst
  ixpk= 2956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 820, 747, 748,
 igr2= 822, 823, 824, 826, 827, 828, 701, 702, 703, 705,
       706, 707,
 &end
#
#    0 AMB  20-2:2957     0 AMB  20-1:2957   3.00    (#   2957:20  Double Ambig)
 &rst
  ixpk= 2957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1223,1224, 696, 697,
 igr2=1228,1229,1230,1232,1233,1234, 701, 702, 703, 705,
       706, 707,
 &end
#
#   51 VAL  MGX          64 VAL  MGY         5.00    (#   2962:20  Unique         2.54, 6.46 A)
 &rst
  ixpk= 2962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   82 LYS  HA           17 LEU  MDY         5.00    (#   2963:20  Unique         1.96, 2.85 A)
 &rst
  ixpk= 2963, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#    0 AMB  20-2:2964    17 LEU  MDY         3.00    (#   2964:20  Single Ambig)
 &rst
  ixpk= 2964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1322,1323,1431,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#    0 AMB  20-2:2965    17 LEU  MDY         3.00    (#   2965:20  Single Ambig)
 &rst
  ixpk= 2965, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1319,1320,1377,1378,1379, 278, 279, 281,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#    0 AMB  20-2:2967    96 VAL  MGX         3.00    (#   2967:20  Single Ambig)
 &rst
  ixpk= 2967, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1534,1254,1255,
 igr2=1536,1537,1538,1540,1541,1542,
 &end
#
#   84 THR  HB           84 THR  MG2         3.00    (#   2969:20  Unique         2.34, 2.69 A)
 &rst
  ixpk= 2969, nxpk= 20, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1355,1356,1357,
 &end
#
#   84 THR  HA           84 THR  MG2         3.00    (#   2970:20  Unique         2.58, 3.40 A)
 &rst
  ixpk= 2970, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1355,1356,1357,
 &end
#
#   39 ILE  HA           84 THR  MG2         4.00    (#   2971:20  Unique         3.83, 4.56 A)
 &rst
  ixpk= 2971, nxpk= 20, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1355,1356,1357,
 &end
#
#   39 ILE  HB           84 THR  MG2         4.00    (#   2972:20  Unique         1.96, 2.71 A)
 &rst
  ixpk= 2972, nxpk= 20, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1355,1356,1357,
 &end
#
#   39 ILE  QG2          84 THR  MG2         3.00    (#   2973:20  Unique         1.98, 3.98 A)
 &rst
  ixpk= 2973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 641, 642, 643,
 igr2=1355,1356,1357,
 &end
#
#    0 AMB  20-2:2977   128 ALA  MB          5.00    (#   2977:20  Single Ambig)
 &rst
  ixpk= 2977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2022,2023,1719,1720,
 igr2=2039,2040,2041,
 &end
#
#  113 ALA  MB          128 ALA  MB          3.00    (#   2978:20  Unique         1.93, 3.77 A)
 &rst
  ixpk= 2978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1782,1783,1784,
 igr2=2039,2040,2041,
 &end
#
#   63 ASN  HB+          32 THR  MG2         3.00    (#   2979:20  Unique         1.96, 3.64 A)
 &rst
  ixpk= 2979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1029,1030,
 igr2= 517, 518, 519,
 &end
#
#    0 AMB  20-2:2980    64 VAL  MGY         6.00    (#   2980:20  Single Ambig)
 &rst
  ixpk= 2980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 885, 886,1464,1465,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   92 GLN  HG+          64 VAL  MGY         3.00    (#   2981:20  Unique         1.94, 5.43 A)
 &rst
  ixpk= 2981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1467,1468,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   92 GLN  HG+          64 VAL  MGY         3.00    (#   2982:20  Unique         1.94, 5.43 A)
 &rst
  ixpk= 2982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1467,1468,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   64 VAL  HB           64 VAL  MGY         3.00    (#   2983:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 2983, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   92 GLN  HB-          64 VAL  MGY         3.00    (#   2984:20  Unique         2.21, 4.78 A)
 &rst
  ixpk= 2984, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1464,1465,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#    0 AMB  20-2:2992   128 ALA  MB          4.00    (#   2992:20  Single Ambig)
 &rst
  ixpk= 2992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=2020,2047,2048,
 igr2=2039,2040,2041,
 &end
#
#  110 TYR  HB-         128 ALA  MB          4.00    (#   2993:20  Unique         2.03, 4.01 A)
 &rst
  ixpk= 2993, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1731,1732,
 igr2=2039,2040,2041,
 &end
#
#  110 TYR  HB+         128 ALA  MB          3.00    (#   2994:20  Unique         2.03, 4.01 A)
 &rst
  ixpk= 2994, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1731,1732,
 igr2=2039,2040,2041,
 &end
#
#   94 ILE  HG1+         66 ALA  MB          3.00    (#   2995:20  Unique         1.90, 3.63 A)
 &rst
  ixpk= 2995, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1501,1502,
 igr2=1075,1076,1077,
 &end
#
#   90 ILE  QG2          66 ALA  MB          4.00    (#   2997:20  Unique         3.06, 5.25 A)
 &rst
  ixpk= 2997, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1433,1434,1435,
 igr2=1075,1076,1077,
 &end
#
#  120 THR  HB          120 THR  MG2         3.00    (#   2998:20  Unique         2.29, 2.69 A)
 &rst
  ixpk= 2998, nxpk= 20, iat=1904,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1906,1907,1908,
 &end
#
#    0 AMB  20-2:2999    32 THR  MG2         4.00    (#   2999:20  Single Ambig)
 &rst
  ixpk= 2999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 515, 361,
 igr2= 517, 518, 519,
 &end
#
#   63 ASN  HB-          32 THR  MG2         5.00    (#   3000:20  Unique         1.96, 3.64 A)
 &rst
  ixpk= 3000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1029,1030,
 igr2= 517, 518, 519,
 &end
#
#   34 ILE  HG1+         32 THR  MG2         3.00    (#   3001:20  Unique         2.04, 3.39 A)
 &rst
  ixpk= 3001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 554, 555,
 igr2= 517, 518, 519,
 &end
#
#   26 LEU  MDY          32 THR  MG2         3.00    (#   3002:20  Unique         1.97, 4.22 A)
 &rst
  ixpk= 3002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 424, 425, 426, 428, 429, 430,
 igr2= 517, 518, 519,
 &end
#
#  103 THR  HB          103 THR  MG2         3.00    (#   3004:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 3004, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1633,1634,1635,
 &end
#
#  143 VAL  HA          143 VAL  MGX         3.00    (#   3005:20  Unique         2.09, 3.39 A)
 &rst
  ixpk= 3005, nxpk= 20, iat=2269,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#  140 VAL  HA          143 VAL  MGX         4.00    (#   3006:20  Unique         1.99, 4.62 A)
 &rst
  ixpk= 3006, nxpk= 20, iat=2215,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#    0 AMB  20-2:3007   143 VAL  MGX         5.00    (#   3007:20  Single Ambig)
 &rst
  ixpk= 3007, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2199,2200,1870,1871,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#  140 VAL  MGY         143 VAL  MGX         5.00    (#   3008:20  Unique         3.39, 7.00 A)
 &rst
  ixpk= 3008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#   33 LEU  HB-          65 VAL  MGX         5.00    (#   3010:20  Unique         4.77, 6.93 A)
 &rst
  ixpk= 3010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 529, 530,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#   34 ILE  HB           65 VAL  MGX         4.00    (#   3011:20  Unique         3.82, 5.67 A)
 &rst
  ixpk= 3011, nxpk= 20, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#    0 AMB  20-2:3012    65 VAL  MGX         6.00    (#   3012:20  Single Ambig)
 &rst
  ixpk= 3012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1= 529, 530, 128, 129, 130,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#    3 LEU  HA            3 LEU  MDY         3.00    (#   3015:20  Unique         1.92, 3.88 A)
 &rst
  ixpk= 3015, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#  126 PHE  HB-           3 LEU  MDY         6.00    (#   3016:20  Unique         2.59, 6.33 A)
 &rst
  ixpk= 3016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2002,2003,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#  126 PHE  HB+           3 LEU  MDY         4.00    (#   3017:20  Unique         2.59, 6.33 A)
 &rst
  ixpk= 3017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2002,2003,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  20-2:3018     3 LEU  MDY         5.00    (#   3018:20  Single Ambig)
 &rst
  ixpk= 3018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1985,1986,1928,1929,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  20-2:3019     3 LEU  MDY         3.00    (#   3019:20  Single Ambig)
 &rst
  ixpk= 3019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=  47,  48,  50,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  20-2:3020     3 LEU  MDY         3.00    (#   3020:20  Single Ambig)
 &rst
  ixpk= 3020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=  47,  48,1942,1943,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#  123 LEU  HG            3 LEU  MDY         3.00    (#   3021:20  Unique         1.94, 4.41 A)
 &rst
  ixpk= 3021, nxpk= 20, iat=1945,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#  123 LEU  MDY           3 LEU  MDY         3.00    (#   3023:20  Unique         1.99, 6.27 A)
 &rst
  ixpk= 3023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1947,1948,1949,1951,1952,1953,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  20-2:3029   128 ALA  MB          6.00    (#   3029:20  Single Ambig)
 &rst
  ixpk= 3029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=2022,2023,1771,1772,1768,1769,   8,   9,
 igr2=2039,2040,2041,
 &end
#
#    0 AMB  20-2:3030   128 ALA  MB          4.00    (#   3030:20  Single Ambig)
 &rst
  ixpk= 3030, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2022,2023,1719,1720,
 igr2=2039,2040,2041,
 &end
#
#   92 GLN  HG+          66 ALA  MB          3.00    (#   3036:20  Unique         2.13, 4.75 A)
 &rst
  ixpk= 3036, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1467,1468,
 igr2=1075,1076,1077,
 &end
#
#    0 AMB  20-2:3038   120 THR  MG2         3.00    (#   3038:20  Single Ambig)
 &rst
  ixpk= 3038, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1902,1923,
 igr2=1906,1907,1908,
 &end
#
#    0 AMB  20-2:3039   103 THR  MG2         3.00    (#   3039:20  Single Ambig)
 &rst
  ixpk= 3039, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1685,1629,
 igr2=1633,1634,1635,
 &end
#
#   69 MET  HG+         103 THR  MG2         4.00    (#   3040:20  Unique         3.73, 7.34 A)
 &rst
  ixpk= 3040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1121,1122,
 igr2=1633,1634,1635,
 &end
#
#    0 AMB  20-2:3041   103 THR  MG2         3.00    (#   3041:20  Single Ambig)
 &rst
  ixpk= 3041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1702,1703,1690,1691,
 igr2=1633,1634,1635,
 &end
#
#   69 MET  ME          103 THR  MG2         4.00    (#   3042:20  Unique         2.45, 5.67 A)
 &rst
  ixpk= 3042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1125,1126,1127,
 igr2=1633,1634,1635,
 &end
#
#   55 ARG  HA           64 VAL  MGX         3.00    (#   3043:20  Unique         1.93, 3.32 A)
 &rst
  ixpk= 3043, nxpk= 20, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   58 TYR  HB+          64 VAL  MGX         5.00    (#   3044:20  Unique         1.89, 5.34 A)
 &rst
  ixpk= 3044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 943, 944,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   33 LEU  HB+          64 VAL  MGX         4.00    (#   3045:20  Unique         2.73, 5.23 A)
 &rst
  ixpk= 3045, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 529, 530,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   64 VAL  HB           64 VAL  MGX         3.00    (#   3047:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3047, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   33 LEU  HG           64 VAL  MGX         4.00    (#   3048:20  Unique         3.31, 5.52 A)
 &rst
  ixpk= 3048, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   62 LEU  HG           64 VAL  MGX         3.00    (#   3049:20  Unique         1.99, 5.69 A)
 &rst
  ixpk= 3049, nxpk= 20, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   33 LEU  HB-          64 VAL  MGX         3.00    (#   3050:20  Unique         2.73, 5.23 A)
 &rst
  ixpk= 3050, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 529, 530,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   62 LEU  MDY          64 VAL  MGX         3.00    (#   3051:20  Unique         1.92, 5.25 A)
 &rst
  ixpk= 3051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1015,1016,1017,1019,1020,1021,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#    0 AMB  20-2:3052   143 VAL  MGX         3.00    (#   3052:20  Single Ambig)
 &rst
  ixpk= 3052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2271,2316,2317,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#   65 VAL  HA           65 VAL  MGX         3.00    (#   3053:20  Unique         2.48, 3.58 A)
 &rst
  ixpk= 3053, nxpk= 20, iat=1057,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#  122 GLN  HG-         120 THR  MG2         4.00    (#   3066:20  Unique         1.97, 3.79 A)
 &rst
  ixpk= 3066, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1928,1929,
 igr2=1906,1907,1908,
 &end
#
#    0 AMB  20-2:3067    22 THR  MG2         4.00    (#   3067:20  Single Ambig)
 &rst
  ixpk= 3067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 390, 391, 402, 403,
 igr2= 351, 352, 353,
 &end
#
#    0 AMB  20-2:3070    64 VAL  MGX         5.00    (#   3070:20  Single Ambig)
 &rst
  ixpk= 3070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 885, 886,1464,1465,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#    0 AMB  20-2:3071     0 AMB  20-1:3071   3.00    (#   3071:20  Double Ambig)
 &rst
  ixpk= 3071, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 554, 555, 501, 502, 504, 505,1059,
 igr2=1061,1062,1063,1065,1066,1067,2273,2274,2275,2277,
      2278,2279,
 &end
#
#  124 ARG  HB-         116 VAL  MGX         6.00    (#   3073:20  Unique         2.20, 5.69 A)
 &rst
  ixpk= 3073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1961,1962,
 igr2=1836,1837,1838,1840,1841,1842,
 &end
#
#   26 LEU  HA           26 LEU  MDX         4.00    (#   3074:20  Unique         1.97, 4.23 A)
 &rst
  ixpk= 3074, nxpk= 20, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   63 ASN  HB-          26 LEU  MDX         4.00    (#   3075:20  Unique         1.97, 4.34 A)
 &rst
  ixpk= 3075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1029,1030,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   63 ASN  HB+          26 LEU  MDX         3.00    (#   3076:20  Unique         1.97, 4.34 A)
 &rst
  ixpk= 3076, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1029,1030,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:3077    26 LEU  MDX         3.00    (#   3077:20  Single Ambig)
 &rst
  ixpk= 3077, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 422, 363, 364,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#    7 MET  ME           26 LEU  MDX         5.00    (#   3078:20  Unique         3.56, 7.38 A)
 &rst
  ixpk= 3078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 128, 129, 130,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   32 THR  MG2          26 LEU  MDX         3.00    (#   3079:20  Unique         1.97, 4.22 A)
 &rst
  ixpk= 3079, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 517, 518, 519,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   67 VAL  HA           67 VAL  MGY         4.00    (#   3081:20  Unique         2.16, 3.20 A)
 &rst
  ixpk= 3081, nxpk= 20, iat=1083,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#  102 LEU  MDY          67 VAL  MGY         4.00    (#   3082:20  Unique         2.08, 5.95 A)
 &rst
  ixpk= 3082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#  144 LEU  HB+         147 THR  MG2         6.00    (#   3093:20  Unique         4.57, 7.31 A)
 &rst
  ixpk= 3093, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2287,2288,
 igr2=2333,2334,2335,
 &end
#
#  147 THR  HB          147 THR  MG2         3.00    (#   3094:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 3094, nxpk= 20, iat=2331,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=2333,2334,2335,
 &end
#
#    0 AMB  20-2:3098   147 THR  MG2         3.00    (#   3098:20  Single Ambig)
 &rst
  ixpk= 3098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1885,1886,1961,1962,
 igr2=2333,2334,2335,
 &end
#
#   22 THR  HB           22 THR  MG2         3.00    (#   3100:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 3100, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 351, 352, 353,
 &end
#
#   91 THR  HB           91 THR  MG2         3.00    (#   3102:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 3102, nxpk= 20, iat=1450,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1452,1453,1454,
 &end
#
#   91 THR  HA           91 THR  MG2         3.00    (#   3103:20  Unique         2.29, 3.16 A)
 &rst
  ixpk= 3103, nxpk= 20, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1452,1453,1454,
 &end
#
#  118 ASP  HA          143 VAL  MGY         4.00    (#   3104:20  Unique         2.96, 4.82 A)
 &rst
  ixpk= 3104, nxpk= 20, iat=1868,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#  144 LEU  HA          143 VAL  MGY         4.00    (#   3105:20  Unique         3.13, 4.93 A)
 &rst
  ixpk= 3105, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#    0 AMB  20-2:3106   143 VAL  MGY         4.00    (#   3106:20  Single Ambig)
 &rst
  ixpk= 3106, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1964,1965,2250,2251,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#    0 AMB  20-2:3107   143 VAL  MGY         5.00    (#   3107:20  Single Ambig)
 &rst
  ixpk= 3107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1870,1871,1940,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#    0 AMB  20-2:3108   143 VAL  MGY         4.00    (#   3108:20  Single Ambig)
 &rst
  ixpk= 3108, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=2199,2200,1870,1871,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#   31 PRO  HB-         143 VAL  MGY         4.00    (#   3109:20  Unique         2.20, 4.02 A)
 &rst
  ixpk= 3109, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 504, 505,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#    0 AMB  20-2:3110   143 VAL  MGY         4.00    (#   3110:20  Single Ambig)
 &rst
  ixpk= 3110, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1961,1962,2193,2194,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#  125 HIS  HB-         116 VAL  MGX         5.00    (#   3111:20  Unique         2.81, 5.77 A)
 &rst
  ixpk= 3111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1985,1986,
 igr2=1836,1837,1838,1840,1841,1842,
 &end
#
#    0 AMB  20-2:3112     0 AMB  20-1:3112   3.00    (#   3112:20  Double Ambig)
 &rst
  ixpk= 3112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1985,1986,1985,1986,
 igr2=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
      1841,1842,
 &end
#
#  116 VAL  HB            0 AMB  20-1:3113   3.00    (#   3113:20  Single Ambig)
 &rst
  ixpk= 3113, nxpk= 20, iat=1834,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
      1841,1842,
 &end
#
#   33 LEU  MDY         116 VAL  MGX         3.00    (#   3114:20  Unique         1.94, 5.92 A)
 &rst
  ixpk= 3114, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 534, 535, 536, 538, 539, 540,
 igr2=1836,1837,1838,1840,1841,1842,
 &end
#
#    0 AMB  20-2:3116     0 AMB  20-1:3116   3.00    (#   3116:20  Double Ambig)
 &rst
  ixpk= 3116, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=2196,2197,2196,2197,
 igr2=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
      1841,1842,
 &end
#
#  140 VAL  MGY           0 AMB  20-1:3117   5.00    (#   3117:20  Single Ambig)
 &rst
  ixpk= 3117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.20, r4=10.70,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
      1841,1842,
 &end
#
#  124 ARG  HB-         116 VAL  MGY         4.00    (#   3118:20  Unique         2.20, 5.69 A)
 &rst
  ixpk= 3118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1961,1962,
 igr2=1836,1837,1838,1840,1841,1842,
 &end
#
#  139 ARG  HB+         116 VAL  MGY         3.00    (#   3119:20  Unique         2.18, 5.12 A)
 &rst
  ixpk= 3119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2193,2194,
 igr2=1836,1837,1838,1840,1841,1842,
 &end
#
#  140 VAL  MGY         116 VAL  MGY         4.00    (#   3120:20  Unique         2.05, 6.79 A)
 &rst
  ixpk= 3120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=1836,1837,1838,1840,1841,1842,
 &end
#
#   21 VAL  HA           21 VAL  MGX         3.00    (#   3121:20  Unique         2.08, 3.46 A)
 &rst
  ixpk= 3121, nxpk= 20, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  20-2:3122     0 AMB  20-1:3122   6.00    (#   3122:20  Double Ambig)
 &rst
  ixpk= 3122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1= 417, 400, 198, 199,
 igr2= 335, 336, 337, 339, 340, 341,1536,1537,1538,1540,
      1541,1542,
 &end
#
#    0 AMB  20-2:3123    21 VAL  MGX         6.00    (#   3123:20  Single Ambig)
 &rst
  ixpk= 3123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 309, 310, 417,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  20-2:3124     0 AMB  20-1:3124   5.00    (#   3124:20  Double Ambig)
 &rst
  ixpk= 3124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 316, 254, 255,1514,1515,
 igr2= 335, 336, 337, 339, 340, 341,1536,1537,1538,1540,
      1541,1542,
 &end
#
#   25 GLN  HG+          21 VAL  MGX         6.00    (#   3126:20  Unique         2.51, 5.78 A)
 &rst
  ixpk= 3126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 405, 406,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  20-2:3127    96 VAL  MGY         4.00    (#   3127:20  Single Ambig)
 &rst
  ixpk= 3127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1135,1136,1316,1317,1138,1139,
 igr2=1536,1537,1538,1540,1541,1542,
 &end
#
#    0 AMB  20-2:3128     0 AMB  20-1:3128   3.00    (#   3128:20  Double Ambig)
 &rst
  ixpk= 3128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 422, 278, 279,
 igr2= 335, 336, 337, 339, 340, 341,1536,1537,1538,1540,
      1541,1542,
 &end
#
#    0 AMB  20-2:3129     0 AMB  20-1:3129   3.00    (#   3129:20  Double Ambig)
 &rst
  ixpk= 3129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 222, 223, 333,
 igr2=1536,1537,1538,1540,1541,1542, 335, 336, 337, 339,
       340, 341,
 &end
#
#   15 ALA  MB           96 VAL  MGY         4.00    (#   3130:20  Unique         1.95, 4.77 A)
 &rst
  ixpk= 3130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 244, 245, 246,
 igr2=1536,1537,1538,1540,1541,1542,
 &end
#
#   35 HIS  HB+          67 VAL  MGY         5.00    (#   3134:20  Unique         5.71, 8.52 A)
 &rst
  ixpk= 3134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 567, 568,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#   81 ILE  QD1          96 VAL  MGY         5.00    (#   3146:20  Unique         2.28, 5.40 A)
 &rst
  ixpk= 3146, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1306,1307,1308,
 igr2=1536,1537,1538,1540,1541,1542,
 &end
#
#   33 LEU  HB-         116 VAL  MGY         4.00    (#   3158:20  Unique         1.98, 5.30 A)
 &rst
  ixpk= 3158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 529, 530,
 igr2=1836,1837,1838,1840,1841,1842,
 &end
#
#   81 ILE  QG2          96 VAL  MGY         4.00    (#   3159:20  Unique         2.08, 5.04 A)
 &rst
  ixpk= 3159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1299,1300,1301,
 igr2=1536,1537,1538,1540,1541,1542,
 &end
#
#  102 LEU  MDX          11 THR  MG2         6.00    (#   3175:20  Unique         3.62, 7.16 A)
 &rst
  ixpk= 3175, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2= 188, 189, 190,
 &end
#
#   11 THR  HB           11 THR  MG2         3.00    (#   3176:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 3176, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 188, 189, 190,
 &end
#
#    0 AMB  20-2:3184    65 VAL  MGY         3.00    (#   3184:20  Single Ambig)
 &rst
  ixpk= 3184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 554, 555,1059,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#   21 VAL  HA           21 VAL  MGY         4.00    (#   3185:20  Unique         2.08, 3.46 A)
 &rst
  ixpk= 3185, nxpk= 20, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   65 VAL  HB           21 VAL  MGY         3.00    (#   3187:20  Unique         3.20, 6.04 A)
 &rst
  ixpk= 3187, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   20 GLU  HB-          21 VAL  MGY         4.00    (#   3188:20  Unique         4.03, 6.69 A)
 &rst
  ixpk= 3188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 318, 319,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   65 VAL  MGX          21 VAL  MGY         3.00    (#   3189:20  Unique         2.94, 6.94 A)
 &rst
  ixpk= 3189, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1061,1062,1063,1065,1066,1067,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#  101 ALA  MB           11 THR  MG2         3.00    (#   3193:20  Unique         1.97, 2.99 A)
 &rst
  ixpk= 3193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1602,1603,1604,
 igr2= 188, 189, 190,
 &end
#
#   65 VAL  HA           65 VAL  MGY         3.00    (#   3194:20  Unique         2.48, 3.58 A)
 &rst
  ixpk= 3194, nxpk= 20, iat=1057,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#    0 AMB  20-2:3196    65 VAL  MGY         3.00    (#   3196:20  Single Ambig)
 &rst
  ixpk= 3196, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 554, 555, 517, 518, 519,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#   34 ILE  QG2          65 VAL  MGY         4.00    (#   3197:20  Unique         1.97, 4.51 A)
 &rst
  ixpk= 3197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 550, 551, 552,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#   67 VAL  MGX          65 VAL  MGY         5.00    (#   3198:20  Unique         3.23, 7.69 A)
 &rst
  ixpk= 3198, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=1087,1088,1089,1091,1092,1093,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#   47 ALA  HA           47 ALA  MB          3.00    (#   3208:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 3208, nxpk= 20, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 762, 763, 764,
 &end
#
#    0 AMB  20-2:3209    47 ALA  MB          5.00    (#   3209:20  Single Ambig)
 &rst
  ixpk= 3209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2079, 715, 716,
 igr2= 762, 763, 764,
 &end
#
#    0 AMB  20-2:3212    47 ALA  MB          4.00    (#   3212:20  Single Ambig)
 &rst
  ixpk= 3212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 822, 823, 824, 826, 827, 828, 701, 702, 703, 705,
       706, 707,
 igr2= 762, 763, 764,
 &end
#
#    0 AMB  20-2:3213    39 ILE  QG2         3.00    (#   3213:20  Single Ambig)
 &rst
  ixpk= 3213, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 637, 626,
 igr2= 641, 642, 643,
 &end
#
#   81 ILE  HA           39 ILE  QG2         3.00    (#   3214:20  Unique         2.16, 3.31 A)
 &rst
  ixpk= 3214, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 641, 642, 643,
 &end
#
#    0 AMB  20-2:3215    39 ILE  QG2         4.00    (#   3215:20  Single Ambig)
 &rst
  ixpk= 3215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1281,1282, 731, 732, 731, 732,
 igr2= 641, 642, 643,
 &end
#
#    0 AMB  20-2:3216    39 ILE  QG2         3.00    (#   3216:20  Single Ambig)
 &rst
  ixpk= 3216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1355,1356,1357, 645, 646,
 igr2= 641, 642, 643,
 &end
#
#   81 ILE  QG2          39 ILE  QG2         4.00    (#   3217:20  Unique         1.95, 3.50 A)
 &rst
  ixpk= 3217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1299,1300,1301,
 igr2= 641, 642, 643,
 &end
#
#   81 ILE  QD1          39 ILE  QG2         5.00    (#   3218:20  Unique         3.28, 5.32 A)
 &rst
  ixpk= 3218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1306,1307,1308,
 igr2= 641, 642, 643,
 &end
#
#   48 MET  HA           51 VAL  MGX         6.00    (#   3219:20  Unique         2.20, 4.98 A)
 &rst
  ixpk= 3219, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   64 VAL  MGY          51 VAL  MGX         3.00    (#   3220:20  Unique         2.54, 6.46 A)
 &rst
  ixpk= 3220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1045,1046,1047,1049,1050,1051,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   12 GLY  HA+         101 ALA  MB          5.00    (#   3222:20  Unique         5.50, 7.21 A)
 &rst
  ixpk= 3222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 198, 199,
 igr2=1602,1603,1604,
 &end
#
#  101 ALA  HA          101 ALA  MB          3.00    (#   3223:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 3223, nxpk= 20, iat=1600,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1602,1603,1604,
 &end
#
#   80 LYS  HB-          39 ILE  QG2         6.00    (#   3225:20  Unique         5.65, 7.84 A)
 &rst
  ixpk= 3225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1275,1276,
 igr2= 641, 642, 643,
 &end
#
#   51 VAL  HA           51 VAL  MGX         3.00    (#   3227:20  Unique         1.98, 3.15 A)
 &rst
  ixpk= 3227, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   94 ILE  QD1          51 VAL  MGX         4.00    (#   3228:20  Unique         2.98, 6.77 A)
 &rst
  ixpk= 3228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1504,1505,1506,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   67 VAL  HA           67 VAL  MGX         4.00    (#   3229:20  Unique         2.16, 3.20 A)
 &rst
  ixpk= 3229, nxpk= 20, iat=1083,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#   65 VAL  MGY          67 VAL  MGX         4.00    (#   3230:20  Unique         3.23, 7.69 A)
 &rst
  ixpk= 3230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1061,1062,1063,1065,1066,1067,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#   34 ILE  QG2          67 VAL  MGX         3.00    (#   3231:20  Unique         2.03, 4.92 A)
 &rst
  ixpk= 3231, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 550, 551, 552,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#  145 ALA  HA          145 ALA  MB          3.00    (#   3253:20  Unique         2.30, 2.66 A)
 &rst
  ixpk= 3253, nxpk= 20, iat=2304,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=2306,2307,2308,
 &end
#
#  142 ARG  HA          145 ALA  MB          3.00    (#   3254:20  Unique         2.00, 3.52 A)
 &rst
  ixpk= 3254, nxpk= 20, iat=2245,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=2306,2307,2308,
 &end
#
#    0 AMB  20-2:3258    94 ILE  QG2         4.00    (#   3258:20  Single Ambig)
 &rst
  ixpk= 3258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 281, 278, 279,
 igr2=1497,1498,1499,
 &end
#
#   81 ILE  QG2          94 ILE  QG2         4.00    (#   3259:20  Unique         4.61, 6.56 A)
 &rst
  ixpk= 3259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1299,1300,1301,
 igr2=1497,1498,1499,
 &end
#
#  111 VAL  HA          111 VAL  MGY         4.00    (#   3265:20  Unique         2.17, 3.35 A)
 &rst
  ixpk= 3265, nxpk= 20, iat=1750,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1754,1755,1756,1758,1759,1760,
 &end
#
#   38 SER  HB+         111 VAL  MGY         6.00    (#   3266:20  Unique         2.56, 5.47 A)
 &rst
  ixpk= 3266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 628, 629,
 igr2=1754,1755,1756,1758,1759,1760,
 &end
#
#    0 AMB  20-2:3267   111 VAL  MGY         3.00    (#   3267:20  Single Ambig)
 &rst
  ixpk= 3267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 584, 585,1155,1156,
 igr2=1754,1755,1756,1758,1759,1760,
 &end
#
#  136 LEU  HB-         133 MET  ME          3.00    (#   3277:20  Unique         1.94, 3.64 A)
 &rst
  ixpk= 3277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2137,2138,
 igr2=2088,2089,2090,
 &end
#
#  136 LEU  HB+         133 MET  ME          5.00    (#   3290:20  Unique         1.94, 3.64 A)
 &rst
  ixpk= 3290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2137,2138,
 igr2=2088,2089,2090,
 &end
#
#  136 LEU  MDY         133 MET  ME          3.00    (#   3293:20  Unique         1.95, 4.99 A)
 &rst
  ixpk= 3293, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2142,2143,2144,2146,2147,2148,
 igr2=2088,2089,2090,
 &end
#
#   69 MET  HG-          69 MET  ME          3.00    (#   3302:20  Unique         2.01, 3.45 A)
 &rst
  ixpk= 3302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1121,1122,
 igr2=1125,1126,1127,
 &end
#
#  111 VAL  MGX          69 MET  ME          3.00    (#   3304:20  Unique         1.94, 4.68 A)
 &rst
  ixpk= 3304, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1754,1755,1756,1758,1759,1760,
 igr2=1125,1126,1127,
 &end
#
#    0 AMB  20-2:3306     1 MET  ME          3.00    (#   3306:20  Single Ambig)
 &rst
  ixpk= 3306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=   6,1665,
 igr2=  15,  16,  17,
 &end
#
#    7 MET  HA            1 MET  ME          3.00    (#   3322:20  Unique         3.78, 6.04 A)
 &rst
  ixpk= 3322, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  20-2:3333    34 ILE  QG2         3.00    (#   3333:20  Single Ambig)
 &rst
  ixpk= 3333, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1617,1618,1619,1621,1622,1623, 424, 425, 426, 428,
       429, 430,
 igr2= 550, 551, 552,
 &end
#
#   67 VAL  MGX          34 ILE  QG2         3.00    (#   3334:20  Unique         2.03, 4.92 A)
 &rst
  ixpk= 3334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1087,1088,1089,1091,1092,1093,
 igr2= 550, 551, 552,
 &end
#
#    0 AMB  20-2:3337    27 ILE  QG2         6.00    (#   3337:20  Single Ambig)
 &rst
  ixpk= 3337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 507,1904,
 igr2= 440, 441, 442,
 &end
#
#   90 ILE  HA           90 ILE  QG2         4.00    (#   3339:20  Unique         1.98, 2.92 A)
 &rst
  ixpk= 3339, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1433,1434,1435,
 &end
#
#   90 ILE  HB           90 ILE  QG2         3.00    (#   3340:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 3340, nxpk= 20, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1433,1434,1435,
 &end
#
#    0 AMB  20-2:3341    90 ILE  QG2         4.00    (#   3341:20  Single Ambig)
 &rst
  ixpk= 3341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 779, 780, 781,1437,1438,
 igr2=1433,1434,1435,
 &end
#
#   94 ILE  QD1          90 ILE  QG2         3.00    (#   3343:20  Unique         1.92, 4.12 A)
 &rst
  ixpk= 3343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1504,1505,1506,
 igr2=1433,1434,1435,
 &end
#
#   94 ILE  HG1-         90 ILE  QG2         3.00    (#   3344:20  Unique         1.92, 4.87 A)
 &rst
  ixpk= 3344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1501,1502,
 igr2=1433,1434,1435,
 &end
#
#   90 ILE  QD1          90 ILE  QG2         3.00    (#   3345:20  Unique         1.95, 3.61 A)
 &rst
  ixpk= 3345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1440,1441,1442,
 igr2=1433,1434,1435,
 &end
#
#    0 AMB  20-2:3349    27 ILE  QG2         4.00    (#   3349:20  Single Ambig)
 &rst
  ixpk= 3349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 455, 456,1902,
 igr2= 440, 441, 442,
 &end
#
#    0 AMB  20-2:3350    27 ILE  QG2         4.00    (#   3350:20  Single Ambig)
 &rst
  ixpk= 3350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1916,1917, 455, 456,
 igr2= 440, 441, 442,
 &end
#
#   27 ILE  HB           27 ILE  QG2         3.00    (#   3351:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 3351, nxpk= 20, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 440, 441, 442,
 &end
#
#   27 ILE  HG1+         27 ILE  QG2         3.00    (#   3352:20  Unique         2.45, 3.56 A)
 &rst
  ixpk= 3352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 444, 445,
 igr2= 440, 441, 442,
 &end
#
#   68 HIS  HB+          81 ILE  QG2         5.00    (#   3353:20  Unique         2.25, 4.05 A)
 &rst
  ixpk= 3353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1101,1102,
 igr2=1299,1300,1301,
 &end
#
#   81 ILE  HB           81 ILE  QG2         3.00    (#   3354:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 3354, nxpk= 20, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1299,1300,1301,
 &end
#
#  130 GLY  HA+         135 MET  ME          5.00    (#   3355:20  Unique         2.10, 5.63 A)
 &rst
  ixpk= 3355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2054,2055,
 igr2=2127,2128,2129,
 &end
#
#   90 ILE  HA           94 ILE  QD1         5.00    (#   3369:20  Unique         2.73, 5.14 A)
 &rst
  ixpk= 3369, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1504,1505,1506,
 &end
#
#   94 ILE  HG1+         94 ILE  QD1         3.00    (#   3370:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 3370, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1501,1502,
 igr2=1504,1505,1506,
 &end
#
#   94 ILE  HB           94 ILE  QD1         4.00    (#   3371:20  Unique         2.05, 3.01 A)
 &rst
  ixpk= 3371, nxpk= 20, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1504,1505,1506,
 &end
#
#   39 ILE  QG2          39 ILE  QD1         3.00    (#   3375:20  Unique         1.97, 3.64 A)
 &rst
  ixpk= 3375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 641, 642, 643,
 igr2= 648, 649, 650,
 &end
#
#   32 THR  HB            7 MET  ME          4.00    (#   3377:20  Unique         2.00, 3.58 A)
 &rst
  ixpk= 3377, nxpk= 20, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 128, 129, 130,
 &end
#
#    7 MET  HG+           7 MET  ME          4.00    (#   3378:20  Unique         2.08, 3.45 A)
 &rst
  ixpk= 3378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 124, 125,
 igr2= 128, 129, 130,
 &end
#
#   23 ARG  HB+           7 MET  ME          3.00    (#   3379:20  Unique         1.98, 4.13 A)
 &rst
  ixpk= 3379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 363, 364,
 igr2= 128, 129, 130,
 &end
#
#   80 LYS  HB-          39 ILE  QD1         3.00    (#   3383:20  Unique         3.96, 5.25 A)
 &rst
  ixpk= 3383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1275,1276,
 igr2= 648, 649, 650,
 &end
#
#   80 LYS  HD-          39 ILE  QD1         3.00    (#   3384:20  Unique         1.94, 2.89 A)
 &rst
  ixpk= 3384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1281,1282,
 igr2= 648, 649, 650,
 &end
#
#   39 ILE  HG1+         39 ILE  QD1         3.00    (#   3385:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 3385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 645, 646,
 igr2= 648, 649, 650,
 &end
#
#    0 AMB  20-2:3388    48 MET  ME          4.00    (#   3388:20  Single Ambig)
 &rst
  ixpk= 3388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 770,1400, 715, 716,
 igr2= 779, 780, 781,
 &end
#
#   49 PRO  HD+          48 MET  ME          4.00    (#   3389:20  Unique         4.55, 6.11 A)
 &rst
  ixpk= 3389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 786, 787,
 igr2= 779, 780, 781,
 &end
#
#   45 LYS  HA           48 MET  ME          5.00    (#   3390:20  Unique         2.18, 4.76 A)
 &rst
  ixpk= 3390, nxpk= 20, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 779, 780, 781,
 &end
#
#    0 AMB  20-2:3391    48 MET  ME          4.00    (#   3391:20  Single Ambig)
 &rst
  ixpk= 3391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 715, 716, 604, 605,
 igr2= 779, 780, 781,
 &end
#
#   24 GLU  HA           27 ILE  QD1         5.00    (#   3396:20  Unique         3.03, 5.09 A)
 &rst
  ixpk= 3396, nxpk= 20, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 447, 448, 449,
 &end
#
#  121 GLY  HA+          27 ILE  QD1         4.00    (#   3397:20  Unique         1.94, 3.00 A)
 &rst
  ixpk= 3397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1916,1917,
 igr2= 447, 448, 449,
 &end
#
#   27 ILE  HG1-         27 ILE  QD1         3.00    (#   3399:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 3399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 444, 445,
 igr2= 447, 448, 449,
 &end
#
#    7 MET  HG-          34 ILE  QD1         4.00    (#   3418:20  Unique         2.10, 5.79 A)
 &rst
  ixpk= 3418, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 124, 125,
 igr2= 557, 558, 559,
 &end
#
#    0 AMB  20-2:3419    90 ILE  QD1         4.00    (#   3419:20  Single Ambig)
 &rst
  ixpk= 3419, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1402,1403, 775, 776,
 igr2=1440,1441,1442,
 &end
#
#    0 AMB  20-2:3422    90 ILE  QD1         3.00    (#   3422:20  Single Ambig)
 &rst
  ixpk= 3422, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 779, 780, 781,1437,1438,
 igr2=1440,1441,1442,
 &end
#
#    0 AMB  20-2:3428    67 VAL  MGY         5.00    (#   3428:20  Single Ambig)
 &rst
  ixpk= 3428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 548,1550,1551,1534,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#    0 AMB  20-2:3434   143 VAL  MGY         6.00    (#   3434:20  Single Ambig)
 &rst
  ixpk= 3434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2290,1013,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#  140 VAL  HA          116 VAL  MGY         4.00    (#   3437:20  Unique         2.49, 4.63 A)
 &rst
  ixpk= 3437, nxpk= 20, iat=2215,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1836,1837,1838,1840,1841,1842,
 &end
#
#  116 VAL  HB          116 VAL  MGY         3.00    (#   3438:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3438, nxpk= 20, iat=1834,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1836,1837,1838,1840,1841,1842,
 &end
#
#    0 AMB  20-2:3439    96 VAL  MGY         3.00    (#   3439:20  Single Ambig)
 &rst
  ixpk= 3439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 278, 279, 281,
 igr2=1536,1537,1538,1540,1541,1542,
 &end
#
#   81 ILE  QD1          96 VAL  MGY         5.00    (#   3440:20  Unique         2.28, 5.40 A)
 &rst
  ixpk= 3440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1306,1307,1308,
 igr2=1536,1537,1538,1540,1541,1542,
 &end
#
#   96 VAL  HA           96 VAL  MGY         4.00    (#   3441:20  Unique         2.09, 3.27 A)
 &rst
  ixpk= 3441, nxpk= 20, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1536,1537,1538,1540,1541,1542,
 &end
#
#    0 AMB  20-2:3442    96 VAL  MGY         3.00    (#   3442:20  Single Ambig)
 &rst
  ixpk= 3442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1534,1254,1255,
 igr2=1536,1537,1538,1540,1541,1542,
 &end
#
#  140 VAL  HA          140 VAL  MGY         3.00    (#   3443:20  Unique         2.18, 3.18 A)
 &rst
  ixpk= 3443, nxpk= 20, iat=2215,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  20-2:3444   140 VAL  MGY         6.00    (#   3444:20  Single Ambig)
 &rst
  ixpk= 3444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1=2159,2160,2156,2157,2271,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  20-2:3445   140 VAL  MGY         3.00    (#   3445:20  Single Ambig)
 &rst
  ixpk= 3445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2217,1010,1011,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  20-2:3446   140 VAL  MGY         4.00    (#   3446:20  Single Ambig)
 &rst
  ixpk= 3446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1013,2290,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#   33 LEU  HB-         116 VAL  MGY         4.00    (#   3453:20  Unique         1.98, 5.30 A)
 &rst
  ixpk= 3453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 529, 530,
 igr2=1836,1837,1838,1840,1841,1842,
 &end
#
#   81 ILE  QG2          96 VAL  MGY         4.00    (#   3454:20  Unique         2.08, 5.04 A)
 &rst
  ixpk= 3454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1299,1300,1301,
 igr2=1536,1537,1538,1540,1541,1542,
 &end
#
#   64 VAL  MGY         140 VAL  MGY         5.00    (#   3456:20  Unique         3.38, 6.75 A)
 &rst
  ixpk= 3456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=1045,1046,1047,1049,1050,1051,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#   21 VAL  HB           21 VAL  MGY         3.00    (#   3469:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3469, nxpk= 20, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#  102 LEU  MDX          11 THR  MG2         6.00    (#   3474:20  Unique         3.62, 7.16 A)
 &rst
  ixpk= 3474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2= 188, 189, 190,
 &end
#
#   11 THR  HB           11 THR  MG2         3.00    (#   3475:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 3475, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 188, 189, 190,
 &end
#
#    9 GLU  HG-          11 THR  MG2         4.00    (#   3476:20  Unique         3.98, 5.55 A)
 &rst
  ixpk= 3476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 155, 156,
 igr2= 188, 189, 190,
 &end
#
#    9 GLU  HB-          11 THR  MG2         3.00    (#   3477:20  Unique         1.96, 3.69 A)
 &rst
  ixpk= 3477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 152, 153,
 igr2= 188, 189, 190,
 &end
#
#    9 GLU  HB+          11 THR  MG2         3.00    (#   3478:20  Unique         1.96, 3.69 A)
 &rst
  ixpk= 3478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 152, 153,
 igr2= 188, 189, 190,
 &end
#
#    0 AMB  20-2:3484    65 VAL  MGY         3.00    (#   3484:20  Single Ambig)
 &rst
  ixpk= 3484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 554, 555,1059,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#   21 VAL  HA           21 VAL  MGY         4.00    (#   3485:20  Unique         2.08, 3.46 A)
 &rst
  ixpk= 3485, nxpk= 20, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   65 VAL  MGX          21 VAL  MGY         3.00    (#   3489:20  Unique         2.94, 6.94 A)
 &rst
  ixpk= 3489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1061,1062,1063,1065,1066,1067,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#  101 ALA  MB           11 THR  MG2         3.00    (#   3493:20  Unique         1.97, 2.99 A)
 &rst
  ixpk= 3493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1602,1603,1604,
 igr2= 188, 189, 190,
 &end
#
#   65 VAL  HA           65 VAL  MGY         3.00    (#   3494:20  Unique         2.48, 3.58 A)
 &rst
  ixpk= 3494, nxpk= 20, iat=1057,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#    0 AMB  20-2:3496    65 VAL  MGY         3.00    (#   3496:20  Single Ambig)
 &rst
  ixpk= 3496, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 554, 555, 517, 518, 519,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#   34 ILE  QG2          65 VAL  MGY         4.00    (#   3497:20  Unique         1.97, 4.51 A)
 &rst
  ixpk= 3497, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 550, 551, 552,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#   67 VAL  MGX          65 VAL  MGY         5.00    (#   3498:20  Unique         3.23, 7.69 A)
 &rst
  ixpk= 3498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=1087,1088,1089,1091,1092,1093,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#   84 THR  HB           39 ILE  QG2         4.00    (#   3512:20  Unique         2.84, 4.23 A)
 &rst
  ixpk= 3512, nxpk= 20, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 641, 642, 643,
 &end
#
#   39 ILE  HB           39 ILE  QG2         3.00    (#   3513:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 3513, nxpk= 20, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 641, 642, 643,
 &end
#
#   39 ILE  QD1          39 ILE  QG2         3.00    (#   3515:20  Unique         1.97, 3.64 A)
 &rst
  ixpk= 3515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 648, 649, 650,
 igr2= 641, 642, 643,
 &end
#
#   81 ILE  HG1-         39 ILE  QG2         4.00    (#   3516:20  Unique         1.95, 3.66 A)
 &rst
  ixpk= 3516, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1303,1304,
 igr2= 641, 642, 643,
 &end
#
#    0 AMB  20-2:3518     0 AMB  20-1:3518   4.00    (#   3518:20  Double Ambig)
 &rst
  ixpk= 3518, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1645,1646,1771,1772,1573,1574,
 igr2=1602,1603,1604, 762, 763, 764,
 &end
#
#   80 LYS  HB-          39 ILE  QG2         6.00    (#   3521:20  Unique         5.65, 7.84 A)
 &rst
  ixpk= 3521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1275,1276,
 igr2= 641, 642, 643,
 &end
#
#   51 VAL  HB           51 VAL  MGX         3.00    (#   3525:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3525, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  20-2:3528    67 VAL  MGX         6.00    (#   3528:20  Single Ambig)
 &rst
  ixpk= 3528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1= 172, 173, 174, 176, 177, 178,1536,1537,1538,1540,
      1541,1542,1497,1498,1499,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#   67 VAL  HB           67 VAL  MGX         3.00    (#   3529:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3529, nxpk= 20, iat=1085,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#   68 HIS  HB-          94 ILE  QG2         5.00    (#   3556:20  Unique         2.43, 4.76 A)
 &rst
  ixpk= 3556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1101,1102,
 igr2=1497,1498,1499,
 &end
#
#   94 ILE  HG1+         94 ILE  QG2         4.00    (#   3557:20  Unique         2.00, 3.48 A)
 &rst
  ixpk= 3557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1501,1502,
 igr2=1497,1498,1499,
 &end
#
#   68 HIS  HB+          94 ILE  QG2         4.00    (#   3558:20  Unique         2.43, 4.76 A)
 &rst
  ixpk= 3558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1101,1102,
 igr2=1497,1498,1499,
 &end
#
#   94 ILE  HB           94 ILE  QG2         3.00    (#   3559:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 3559, nxpk= 20, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1497,1498,1499,
 &end
#
#   17 LEU  HB-          94 ILE  QG2         4.00    (#   3560:20  Unique         2.97, 4.51 A)
 &rst
  ixpk= 3560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 278, 279,
 igr2=1497,1498,1499,
 &end
#
#   66 ALA  MB           94 ILE  QG2         4.00    (#   3561:20  Unique         1.93, 3.64 A)
 &rst
  ixpk= 3561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1075,1076,1077,
 igr2=1497,1498,1499,
 &end
#
#   38 SER  HB-         111 VAL  MGY         4.00    (#   3570:20  Unique         2.56, 5.47 A)
 &rst
  ixpk= 3570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 628, 629,
 igr2=1754,1755,1756,1758,1759,1760,
 &end
#
#    0 AMB  20-2:3571   111 VAL  MGY         3.00    (#   3571:20  Single Ambig)
 &rst
  ixpk= 3571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1752,1771,1772,
 igr2=1754,1755,1756,1758,1759,1760,
 &end
#
#    0 AMB  20-2:3572   111 VAL  MGY         3.00    (#   3572:20  Single Ambig)
 &rst
  ixpk= 3572, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=1118,1119,1125,1126,1127,
 igr2=1754,1755,1756,1758,1759,1760,
 &end
#
#  105 ALA  HA          105 ALA  MB          3.00    (#   3575:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 3575, nxpk= 20, iat=1655,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1657,1658,1659,
 &end
#
#   17 LEU  MDY          85 ALA  MB          3.00    (#   3576:20  Unique         1.94, 4.63 A)
 &rst
  ixpk= 3576, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 283, 284, 285, 287, 288, 289,
 igr2=1367,1368,1369,
 &end
#
#   90 ILE  QG2          85 ALA  MB          4.00    (#   3577:20  Unique         3.46, 5.98 A)
 &rst
  ixpk= 3577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1433,1434,1435,
 igr2=1367,1368,1369,
 &end
#
#   90 ILE  QD1          85 ALA  MB          4.00    (#   3578:20  Unique         1.93, 3.42 A)
 &rst
  ixpk= 3578, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1440,1441,1442,
 igr2=1367,1368,1369,
 &end
#
#    0 AMB  20-2:3579   133 MET  ME          4.00    (#   3579:20  Single Ambig)
 &rst
  ixpk= 3579, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2159,2160, 803, 804,
 igr2=2088,2089,2090,
 &end
#
#   71 ARG  HA           69 MET  ME          4.00    (#   3584:20  Unique         2.18, 4.59 A)
 &rst
  ixpk= 3584, nxpk= 20, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1125,1126,1127,
 &end
#
#   69 MET  HG+          69 MET  ME          4.00    (#   3585:20  Unique         2.01, 3.45 A)
 &rst
  ixpk= 3585, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1121,1122,
 igr2=1125,1126,1127,
 &end
#
#   71 ARG  HG-          69 MET  ME          3.00    (#   3586:20  Unique         1.99, 4.56 A)
 &rst
  ixpk= 3586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1152,1153,
 igr2=1125,1126,1127,
 &end
#
#  103 THR  MG2          69 MET  ME          4.00    (#   3588:20  Unique         2.45, 5.67 A)
 &rst
  ixpk= 3588, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1633,1634,1635,
 igr2=1125,1126,1127,
 &end
#
#    0 AMB  20-2:3589   105 ALA  MB          4.00    (#   3589:20  Single Ambig)
 &rst
  ixpk= 3589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1667,1668,1645,1646,
 igr2=1657,1658,1659,
 &end
#
#    8 PRO  HG+         105 ALA  MB          4.00    (#   3590:20  Unique         2.50, 3.81 A)
 &rst
  ixpk= 3590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 138, 139,
 igr2=1657,1658,1659,
 &end
#
#    0 AMB  20-2:3591    85 ALA  MB          3.00    (#   3591:20  Single Ambig)
 &rst
  ixpk= 3591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1365,1314,
 igr2=1367,1368,1369,
 &end
#
#   87 GLU  HB-          86 ALA  MB          5.00    (#   3592:20  Unique         4.21, 6.06 A)
 &rst
  ixpk= 3592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1387,1388,
 igr2=1377,1378,1379,
 &end
#
#   51 VAL  HA          133 MET  ME          5.00    (#   3593:20  Unique         3.26, 4.92 A)
 &rst
  ixpk= 3593, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=2088,2089,2090,
 &end
#
#  114 TYR  HB+         133 MET  ME          5.00    (#   3594:20  Unique         4.58, 6.20 A)
 &rst
  ixpk= 3594, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1792,1793,
 igr2=2088,2089,2090,
 &end
#
#    0 AMB  20-2:3595   133 MET  ME          5.00    (#   3595:20  Single Ambig)
 &rst
  ixpk= 3595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2156,2157,2159,2160,
 igr2=2088,2089,2090,
 &end
#
#  136 LEU  HB+         133 MET  ME          5.00    (#   3596:20  Unique         1.94, 3.64 A)
 &rst
  ixpk= 3596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2137,2138,
 igr2=2088,2089,2090,
 &end
#
#   51 VAL  MGY         133 MET  ME          3.00    (#   3597:20  Unique         2.49, 6.38 A)
 &rst
  ixpk= 3597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2=2088,2089,2090,
 &end
#
#  136 LEU  MDX         133 MET  ME          6.00    (#   3598:20  Unique         1.95, 4.99 A)
 &rst
  ixpk= 3598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=2142,2143,2144,2146,2147,2148,
 igr2=2088,2089,2090,
 &end
#
#   70 PRO  HD-          69 MET  ME          6.00    (#   3607:20  Unique         2.25, 5.22 A)
 &rst
  ixpk= 3607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1132,1133,
 igr2=1125,1126,1127,
 &end
#
#   71 ARG  HD-          69 MET  ME          4.00    (#   3608:20  Unique         2.74, 5.52 A)
 &rst
  ixpk= 3608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1155,1156,
 igr2=1125,1126,1127,
 &end
#
#   69 MET  HG-          69 MET  ME          3.00    (#   3609:20  Unique         2.01, 3.45 A)
 &rst
  ixpk= 3609, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1121,1122,
 igr2=1125,1126,1127,
 &end
#
#  109 GLU  HA           69 MET  ME          6.00    (#   3610:20  Unique         3.41, 5.75 A)
 &rst
  ixpk= 3610, nxpk= 20, iat=1714,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1125,1126,1127,
 &end
#
#  111 VAL  MGX          69 MET  ME          3.00    (#   3611:20  Unique         1.94, 4.68 A)
 &rst
  ixpk= 3611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1754,1755,1756,1758,1759,1760,
 igr2=1125,1126,1127,
 &end
#
#    0 AMB  20-2:3612   105 ALA  MB          6.00    (#   3612:20  Single Ambig)
 &rst
  ixpk= 3612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1643,  88, 165,
 igr2=1657,1658,1659,
 &end
#
#    0 AMB  20-2:3613     1 MET  ME          3.00    (#   3613:20  Single Ambig)
 &rst
  ixpk= 3613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=   6,1665,
 igr2=  15,  16,  17,
 &end
#
#    8 PRO  HD-           1 MET  ME          3.00    (#   3614:20  Unique         2.32, 4.48 A)
 &rst
  ixpk= 3614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 135, 136,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  20-2:3615     0 AMB  20-1:3615   3.00    (#   3615:20  Double Ambig)
 &rst
  ixpk= 3615, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 141, 142,  90,  91,
 igr2=1657,1658,1659,  15,  16,  17,
 &end
#
#  123 LEU  MDX           1 MET  ME          3.00    (#   3620:20  Unique         2.44, 5.98 A)
 &rst
  ixpk= 3620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1947,1948,1949,1951,1952,1953,
 igr2=  15,  16,  17,
 &end
#
#  123 LEU  MDY           1 MET  ME          4.00    (#   3621:20  Unique         2.44, 5.98 A)
 &rst
  ixpk= 3621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1947,1948,1949,1951,1952,1953,
 igr2=  15,  16,  17,
 &end
#
#   86 ALA  HA           86 ALA  MB          3.00    (#   3623:20  Unique         2.26, 2.66 A)
 &rst
  ixpk= 3623, nxpk= 20, iat=1375,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1377,1378,1379,
 &end
#
#   87 GLU  HG-          86 ALA  MB          4.00    (#   3625:20  Unique         3.34, 5.33 A)
 &rst
  ixpk= 3625, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1390,1391,
 igr2=1377,1378,1379,
 &end
#
#    7 MET  HA            1 MET  ME          3.00    (#   3633:20  Unique         3.78, 6.04 A)
 &rst
  ixpk= 3633, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=  15,  16,  17,
 &end
#
#    8 PRO  HD+           1 MET  ME          3.00    (#   3634:20  Unique         2.32, 4.48 A)
 &rst
  ixpk= 3634, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 135, 136,
 igr2=  15,  16,  17,
 &end
#
#    1 MET  HG+           1 MET  ME          3.00    (#   3635:20  Unique         2.06, 3.52 A)
 &rst
  ixpk= 3635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  11,  12,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  20-2:3648    34 ILE  QG2         3.00    (#   3648:20  Single Ambig)
 &rst
  ixpk= 3648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1617,1618,1619,1621,1622,1623, 424, 425, 426, 428,
       429, 430,
 igr2= 550, 551, 552,
 &end
#
#   34 ILE  HB           34 ILE  QG2         3.00    (#   3649:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 3649, nxpk= 20, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 550, 551, 552,
 &end
#
#   34 ILE  HG1+         34 ILE  QG2         4.00    (#   3650:20  Unique         2.01, 3.46 A)
 &rst
  ixpk= 3650, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 554, 555,
 igr2= 550, 551, 552,
 &end
#
#   34 ILE  HG1-         34 ILE  QG2         3.00    (#   3651:20  Unique         2.01, 3.46 A)
 &rst
  ixpk= 3651, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 554, 555,
 igr2= 550, 551, 552,
 &end
#
#    0 AMB  20-2:3652    34 ILE  QG2         3.00    (#   3652:20  Single Ambig)
 &rst
  ixpk= 3652, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 172, 173, 174, 176, 177, 178, 557, 558, 559,
 igr2= 550, 551, 552,
 &end
#
#   67 VAL  MGX          34 ILE  QG2         3.00    (#   3654:20  Unique         2.03, 4.92 A)
 &rst
  ixpk= 3654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1087,1088,1089,1091,1092,1093,
 igr2= 550, 551, 552,
 &end
#
#    0 AMB  20-2:3657    34 ILE  QG2         3.00    (#   3657:20  Single Ambig)
 &rst
  ixpk= 3657, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1617,1618,1619,1621,1622,1623, 424, 425, 426, 428,
       429, 430,
 igr2= 550, 551, 552,
 &end
#
#    0 AMB  20-2:3658    90 ILE  QG2         5.00    (#   3658:20  Single Ambig)
 &rst
  ixpk= 3658, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1467,1468, 772, 773,
 igr2=1433,1434,1435,
 &end
#
#   94 ILE  QD1          90 ILE  QG2         3.00    (#   3660:20  Unique         1.92, 4.12 A)
 &rst
  ixpk= 3660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1504,1505,1506,
 igr2=1433,1434,1435,
 &end
#
#   94 ILE  HG1-         90 ILE  QG2         3.00    (#   3661:20  Unique         1.92, 4.87 A)
 &rst
  ixpk= 3661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1501,1502,
 igr2=1433,1434,1435,
 &end
#
#    0 AMB  20-2:3662    81 ILE  QG2         5.00    (#   3662:20  Single Ambig)
 &rst
  ixpk= 3662, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1314,1365,
 igr2=1299,1300,1301,
 &end
#
#   81 ILE  HG1-         81 ILE  QG2         4.00    (#   3663:20  Unique         2.01, 3.43 A)
 &rst
  ixpk= 3663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1303,1304,
 igr2=1299,1300,1301,
 &end
#
#  116 VAL  MGX         135 MET  ME          5.00    (#   3664:20  Unique         4.98, 9.20 A)
 &rst
  ixpk= 3664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1836,1837,1838,1840,1841,1842,
 igr2=2127,2128,2129,
 &end
#
#    0 AMB  20-2:3670    27 ILE  QG2         3.00    (#   3670:20  Single Ambig)
 &rst
  ixpk= 3670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 436,1916,1917,
 igr2= 440, 441, 442,
 &end
#
#   27 ILE  HG1-         27 ILE  QG2         3.00    (#   3671:20  Unique         2.45, 3.56 A)
 &rst
  ixpk= 3671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 444, 445,
 igr2= 440, 441, 442,
 &end
#
#   81 ILE  HA           81 ILE  QG2         4.00    (#   3672:20  Unique         2.32, 3.17 A)
 &rst
  ixpk= 3672, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1299,1300,1301,
 &end
#
#   39 ILE  QG2          81 ILE  QG2         4.00    (#   3673:20  Unique         1.95, 3.50 A)
 &rst
  ixpk= 3673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 641, 642, 643,
 igr2=1299,1300,1301,
 &end
#
#   78 PRO  HA           81 ILE  QG2         5.00    (#   3674:20  Unique         3.92, 4.83 A)
 &rst
  ixpk= 3674, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1299,1300,1301,
 &end
#
#    0 AMB  20-2:3675    81 ILE  QG2         3.00    (#   3675:20  Single Ambig)
 &rst
  ixpk= 3675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 283, 284, 285, 287, 288, 289,1536,1537,1538,1540,
      1541,1542,
 igr2=1299,1300,1301,
 &end
#
#    0 AMB  20-2:3678   135 MET  ME          5.00    (#   3678:20  Single Ambig)
 &rst
  ixpk= 3678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2199,2200,2180,2181,
 igr2=2127,2128,2129,
 &end
#
#   95 PHE  HB-          94 ILE  QD1         6.00    (#   3699:20  Unique         7.62, 8.96 A)
 &rst
  ixpk= 3699, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1514,1515,
 igr2=1504,1505,1506,
 &end
#
#   85 ALA  MB           94 ILE  QD1         3.00    (#   3700:20  Unique         2.89, 5.07 A)
 &rst
  ixpk= 3700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1367,1368,1369,
 igr2=1504,1505,1506,
 &end
#
#   66 ALA  MB           94 ILE  QD1         4.00    (#   3701:20  Unique         1.94, 4.58 A)
 &rst
  ixpk= 3701, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1075,1076,1077,
 igr2=1504,1505,1506,
 &end
#
#   90 ILE  QG2          94 ILE  QD1         3.00    (#   3703:20  Unique         1.92, 4.12 A)
 &rst
  ixpk= 3703, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1433,1434,1435,
 igr2=1504,1505,1506,
 &end
#
#   39 ILE  QG2          39 ILE  QD1         3.00    (#   3709:20  Unique         1.97, 3.64 A)
 &rst
  ixpk= 3709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 641, 642, 643,
 igr2= 648, 649, 650,
 &end
#
#   81 ILE  HG1-         39 ILE  QD1         6.00    (#   3710:20  Unique         1.97, 3.17 A)
 &rst
  ixpk= 3710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1303,1304,
 igr2= 648, 649, 650,
 &end
#
#  121 GLY  HA+           7 MET  ME          5.00    (#   3713:20  Unique         1.91, 4.09 A)
 &rst
  ixpk= 3713, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1916,1917,
 igr2= 128, 129, 130,
 &end
#
#  117 PHE  HB-           7 MET  ME          5.00    (#   3714:20  Unique         1.98, 3.44 A)
 &rst
  ixpk= 3714, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1850,1851,
 igr2= 128, 129, 130,
 &end
#
#  117 PHE  HB+           7 MET  ME          4.00    (#   3715:20  Unique         1.98, 3.44 A)
 &rst
  ixpk= 3715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1850,1851,
 igr2= 128, 129, 130,
 &end
#
#   23 ARG  HG-           7 MET  ME          3.00    (#   3716:20  Unique         1.90, 5.37 A)
 &rst
  ixpk= 3716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 366, 367,
 igr2= 128, 129, 130,
 &end
#
#    7 MET  HB-           7 MET  ME          4.00    (#   3717:20  Unique         1.88, 4.47 A)
 &rst
  ixpk= 3717, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 121, 122,
 igr2= 128, 129, 130,
 &end
#
#    0 AMB  20-2:3720     7 MET  ME          4.00    (#   3720:20  Single Ambig)
 &rst
  ixpk= 3720, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 557, 558, 559, 172, 173, 174, 176, 177, 178,
 igr2= 128, 129, 130,
 &end
#
#   27 ILE  QD1           7 MET  ME          3.00    (#   3721:20  Unique         1.93, 4.22 A)
 &rst
  ixpk= 3721, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 447, 448, 449,
 igr2= 128, 129, 130,
 &end
#
#    0 AMB  20-2:3725    39 ILE  QD1         4.00    (#   3725:20  Single Ambig)
 &rst
  ixpk= 3725, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 637, 658, 659,1173,1174,
 igr2= 648, 649, 650,
 &end
#
#   39 ILE  HB           39 ILE  QD1         3.00    (#   3726:20  Unique         2.28, 3.06 A)
 &rst
  ixpk= 3726, nxpk= 20, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 648, 649, 650,
 &end
#
#    0 AMB  20-2:3727    39 ILE  QD1         3.00    (#   3727:20  Single Ambig)
 &rst
  ixpk= 3727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=1355,1356,1357, 645, 646,1278,1279,
 igr2= 648, 649, 650,
 &end
#
#   81 ILE  HA           39 ILE  QD1         5.00    (#   3729:20  Unique         2.05, 3.33 A)
 &rst
  ixpk= 3729, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 648, 649, 650,
 &end
#
#   78 PRO  HA           81 ILE  QD1         3.00    (#   3730:20  Unique         1.91, 3.38 A)
 &rst
  ixpk= 3730, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1306,1307,1308,
 &end
#
#    0 AMB  20-2:3731    81 ILE  QD1         5.00    (#   3731:20  Single Ambig)
 &rst
  ixpk= 3731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1534,1254,1255,
 igr2=1306,1307,1308,
 &end
#
#    0 AMB  20-2:3732    81 ILE  QD1         3.00    (#   3732:20  Single Ambig)
 &rst
  ixpk= 3732, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1297,1278,1279,
 igr2=1306,1307,1308,
 &end
#
#   81 ILE  HG1+         81 ILE  QD1         3.00    (#   3733:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 3733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1303,1304,
 igr2=1306,1307,1308,
 &end
#
#   96 VAL  MGX          81 ILE  QD1         3.00    (#   3734:20  Unique         2.28, 5.40 A)
 &rst
  ixpk= 3734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1536,1537,1538,1540,1541,1542,
 igr2=1306,1307,1308,
 &end
#
#   96 VAL  MGY          81 ILE  QD1         4.00    (#   3735:20  Unique         2.28, 5.40 A)
 &rst
  ixpk= 3735, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1536,1537,1538,1540,1541,1542,
 igr2=1306,1307,1308,
 &end
#
#   81 ILE  HG1-         81 ILE  QD1         3.00    (#   3737:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 3737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1303,1304,
 igr2=1306,1307,1308,
 &end
#
#   48 MET  HG+          48 MET  ME          4.00    (#   3741:20  Unique         2.04, 3.58 A)
 &rst
  ixpk= 3741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 775, 776,
 igr2= 779, 780, 781,
 &end
#
#   48 MET  HB-          48 MET  ME          3.00    (#   3742:20  Unique         1.93, 4.16 A)
 &rst
  ixpk= 3742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 772, 773,
 igr2= 779, 780, 781,
 &end
#
#   48 MET  HB+          48 MET  ME          4.00    (#   3743:20  Unique         1.93, 4.16 A)
 &rst
  ixpk= 3743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 772, 773,
 igr2= 779, 780, 781,
 &end
#
#   90 ILE  QD1          48 MET  ME          3.00    (#   3746:20  Unique         1.97, 4.70 A)
 &rst
  ixpk= 3746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1440,1441,1442,
 igr2= 779, 780, 781,
 &end
#
#  121 GLY  HA-          27 ILE  QD1         3.00    (#   3751:20  Unique         1.94, 3.00 A)
 &rst
  ixpk= 3751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1916,1917,
 igr2= 447, 448, 449,
 &end
#
#    0 AMB  20-2:3752    27 ILE  QD1         4.00    (#   3752:20  Single Ambig)
 &rst
  ixpk= 3752, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 366, 367, 438,
 igr2= 447, 448, 449,
 &end
#
#    0 AMB  20-2:3753    27 ILE  QD1         4.00    (#   3753:20  Single Ambig)
 &rst
  ixpk= 3753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 517, 518, 519,1906,1907,1908,
 igr2= 447, 448, 449,
 &end
#
#   27 ILE  HG1+         27 ILE  QD1         3.00    (#   3754:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 3754, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 444, 445,
 igr2= 447, 448, 449,
 &end
#
#    7 MET  ME           34 ILE  QD1         4.00    (#   3772:20  Unique         1.96, 4.18 A)
 &rst
  ixpk= 3772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 128, 129, 130,
 igr2= 557, 558, 559,
 &end
#
#   34 ILE  HB           34 ILE  QD1         3.00    (#   3773:20  Unique         1.97, 2.95 A)
 &rst
  ixpk= 3773, nxpk= 20, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 557, 558, 559,
 &end
#
#   34 ILE  HG1+         34 ILE  QD1         3.00    (#   3774:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 3774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 554, 555,
 igr2= 557, 558, 559,
 &end
#
#    0 AMB  20-2:3775    34 ILE  QD1         6.00    (#   3775:20  Single Ambig)
 &rst
  ixpk= 3775, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 170, 121, 122,
 igr2= 557, 558, 559,
 &end
#
#    0 AMB  20-2:3777    34 ILE  QD1         3.00    (#   3777:20  Single Ambig)
 &rst
  ixpk= 3777, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 517, 518, 519, 554, 555,
 igr2= 557, 558, 559,
 &end
#
#   10 LEU  MDY          34 ILE  QD1         4.00    (#   3778:20  Unique         1.98, 4.41 A)
 &rst
  ixpk= 3778, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 172, 173, 174, 176, 177, 178,
 igr2= 557, 558, 559,
 &end
#
#   34 ILE  QG2          34 ILE  QD1         3.00    (#   3779:20  Unique         2.09, 3.88 A)
 &rst
  ixpk= 3779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 550, 551, 552,
 igr2= 557, 558, 559,
 &end
#
#    7 MET  HG-          34 ILE  QD1         4.00    (#   3780:20  Unique         2.10, 5.79 A)
 &rst
  ixpk= 3780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 124, 125,
 igr2= 557, 558, 559,
 &end
#
#    0 AMB  20-2:3781    90 ILE  QD1         3.00    (#   3781:20  Single Ambig)
 &rst
  ixpk= 3781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1365,1429,
 igr2=1440,1441,1442,
 &end
#
#   90 ILE  HB           90 ILE  QD1         4.00    (#   3782:20  Unique         2.19, 3.22 A)
 &rst
  ixpk= 3782, nxpk= 20, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1440,1441,1442,
 &end
#
#   85 ALA  MB           90 ILE  QD1         4.00    (#   3783:20  Unique         1.93, 3.42 A)
 &rst
  ixpk= 3783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1367,1368,1369,
 igr2=1440,1441,1442,
 &end
#
#   90 ILE  HG1+         90 ILE  QD1         4.00    (#   3784:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 3784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1437,1438,
 igr2=1440,1441,1442,
 &end
#
#   90 ILE  QG2          90 ILE  QD1         3.00    (#   3785:20  Unique         1.95, 3.61 A)
 &rst
  ixpk= 3785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1433,1434,1435,
 igr2=1440,1441,1442,
 &end
#
#  108 ASN  HB-         103 THR  HB          6.00    (#   3794:20  Unique         2.95, 4.78 A)
 &rst
  ixpk= 3794, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1702,1703,
 &end
#
#    0 AMB  20-2:3796   103 THR  HB          5.00    (#   3796:20  Single Ambig)
 &rst
  ixpk= 3796, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1685,1629,
 &end
#
#    0 AMB  20-2:3798   103 THR  HA          6.00    (#   3798:20  Single Ambig)
 &rst
  ixpk= 3798, nxpk= 20, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1610,1583,
 &end
#
#  108 ASN  HN          103 THR  HB          5.00    (#   3800:20  Unique         3.12, 3.88 A)
 &rst
  ixpk= 3800, nxpk= 20, iat=1698,1631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 THR  HN          103 THR  HB          6.00    (#   3801:20  Unique         2.56, 3.37 A)
 &rst
  ixpk= 3801, nxpk= 20, iat=1627,1631, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  103 THR  HN          103 THR  HA          6.00    (#   3802:20  Unique         2.73, 2.76 A)
 &rst
  ixpk= 3802, nxpk= 20, iat=1627,1629, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  143 VAL  HN          140 VAL  HA          5.00    (#   3803:20  Unique         3.28, 3.55 A)
 &rst
  ixpk= 3803, nxpk= 20, iat=2267,2215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 GLU  HN           84 THR  HA          5.00    (#   3804:20  Unique         3.09, 3.33 A)
 &rst
  ixpk= 3804, nxpk= 20, iat=1383,1351, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 ILE  QD1           0 AMB  20-1:3805   5.00    (#   3805:20  Single Ambig)
 &rst
  ixpk= 3805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1306,1307,1308,
 igr2=1295, 628, 629,
 &end
#
#   96 VAL  HB           96 VAL  HA          4.00    (#   3808:20  Unique         2.20, 2.80 A)
 &rst
  ixpk= 3808, nxpk= 20, iat=1534,1532, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 HIS  HB-          96 VAL  HA          4.00    (#   3809:20  Unique         1.93, 3.40 A)
 &rst
  ixpk= 3809, nxpk= 20, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1101,1102,
 &end
#
#   33 LEU  HN           64 VAL  HA          5.00    (#   3810:20  Unique         3.04, 3.27 A)
 &rst
  ixpk= 3810, nxpk= 20, iat= 525,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 ILE  HN           34 ILE  HA          4.00    (#   3811:20  Unique         2.92, 2.94 A)
 &rst
  ixpk= 3811, nxpk= 20, iat= 544, 546, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 VAL  HA           34 ILE  HA          5.00    (#   3812:20  Unique         4.51, 4.85 A)
 &rst
  ixpk= 3812, nxpk= 20, iat=1041, 546, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 ILE  HB           34 ILE  HA          5.00    (#   3813:20  Unique         2.96, 2.99 A)
 &rst
  ixpk= 3813, nxpk= 20, iat= 548, 546, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 VAL  MGX          34 ILE  HA          4.00    (#   3814:20  Unique         1.94, 3.89 A)
 &rst
  ixpk= 3814, nxpk= 20, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1061,1062,1063,1065,1066,1067,
 &end
#
#    5 GLN  HN            6 PRO  HD+         5.00    (#   3815:20  Unique         2.33, 3.58 A)
 &rst
  ixpk= 3815, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 104, 105,
 &end
#
#   58 TYR  HB-          62 LEU  HB-         4.00    (#   3816:20  Unique         1.95, 3.79 A)
 &rst
  ixpk= 3816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 943, 944,
 igr2=1010,1011,
 &end
#
#   58 TYR  HB-          62 LEU  HB+         4.00    (#   3817:20  Unique         1.95, 3.79 A)
 &rst
  ixpk= 3817, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 943, 944,
 igr2=1010,1011,
 &end
#
#   58 TYR  HB+          62 LEU  HB-         4.00    (#   3818:20  Unique         1.95, 3.79 A)
 &rst
  ixpk= 3818, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 943, 944,
 igr2=1010,1011,
 &end
#
#   58 TYR  HB+          62 LEU  HB+         6.00    (#   3819:20  Unique         1.95, 3.79 A)
 &rst
  ixpk= 3819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 943, 944,
 igr2=1010,1011,
 &end
#
#   62 LEU  HA           62 LEU  HB-         5.00    (#   3820:20  Unique         2.20, 2.63 A)
 &rst
  ixpk= 3820, nxpk= 20, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1010,1011,
 &end
#
#   62 LEU  HA           62 LEU  HB+         4.00    (#   3821:20  Unique         2.20, 2.63 A)
 &rst
  ixpk= 3821, nxpk= 20, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1010,1011,
 &end
#
#   76 LEU  HA           76 LEU  HB+         4.00    (#   3822:20  Unique         2.20, 2.68 A)
 &rst
  ixpk= 3822, nxpk= 20, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1223,1224,
 &end
#
#   34 ILE  HA           34 ILE  HB          4.00    (#   3823:20  Unique         2.96, 2.99 A)
 &rst
  ixpk= 3823, nxpk= 20, iat= 546, 548, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 GLU  HA           27 ILE  HB          4.00    (#   3824:20  Unique         2.68, 3.72 A)
 &rst
  ixpk= 3824, nxpk= 20, iat= 385, 438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN  HD2-         18 ASN  HB-         5.00    (#   3825:20  Unique         2.10, 3.12 A)
 &rst
  ixpk= 3825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 302, 303,
 igr2= 297, 298,
 &end
#
#   81 ILE  HN           81 ILE  HG1-        6.00    (#   3826:20  Unique         1.90, 2.83 A)
 &rst
  ixpk= 3826, nxpk= 20, iat=1293,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1303,1304,
 &end
#
#   82 LYS  HN           81 ILE  HG1-        6.00    (#   3827:20  Unique         4.15, 4.70 A)
 &rst
  ixpk= 3827, nxpk= 20, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1303,1304,
 &end
#
#   81 ILE  HA           81 ILE  HG1-        6.00    (#   3828:20  Unique         2.23, 2.74 A)
 &rst
  ixpk= 3828, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1303,1304,
 &end
#
#   39 ILE  QD1          81 ILE  HG1-        5.00    (#   3829:20  Unique         1.97, 3.17 A)
 &rst
  ixpk= 3829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 648, 649, 650,
 igr2=1303,1304,
 &end
#
#   39 ILE  QG2          81 ILE  HG1-        6.00    (#   3830:20  Unique         1.95, 3.66 A)
 &rst
  ixpk= 3830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 641, 642, 643,
 igr2=1303,1304,
 &end
#
#   81 ILE  QG2          81 ILE  HG1-        5.00    (#   3831:20  Unique         2.01, 3.43 A)
 &rst
  ixpk= 3831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1299,1300,1301,
 igr2=1303,1304,
 &end
#
#   92 GLN  HN           92 GLN  HB+         6.00    (#   3832:20  Unique         2.09, 3.00 A)
 &rst
  ixpk= 3832, nxpk= 20, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1464,1465,
 &end
#
#   39 ILE  HN           39 ILE  HG1-        5.00    (#   3834:20  Unique         2.37, 3.09 A)
 &rst
  ixpk= 3834, nxpk= 20, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 645, 646,
 &end
#
#   39 ILE  HN           39 ILE  HG1+        4.00    (#   3835:20  Unique         2.37, 3.09 A)
 &rst
  ixpk= 3835, nxpk= 20, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 645, 646,
 &end
#
#   48 MET  HN           48 MET  ME          4.00    (#   3837:20  Unique         2.75, 4.67 A)
 &rst
  ixpk= 3837, nxpk= 20, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 779, 780, 781,
 &end
#
#    0 AMB  20-2:3838    48 MET  ME          5.00    (#   3838:20  Single Ambig)
 &rst
  ixpk= 3838, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 610, 721,
 igr2= 779, 780, 781,
 &end
#
#   94 ILE  HN           94 ILE  QG2         5.00    (#   3840:20  Unique         4.37, 4.65 A)
 &rst
  ixpk= 3840, nxpk= 20, iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1497,1498,1499,
 &end
#
#   95 PHE  HB-          67 VAL  MGX         5.00    (#   3841:20  Unique         2.13, 5.14 A)
 &rst
  ixpk= 3841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1514,1515,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#   95 PHE  HB+          67 VAL  MGX         5.00    (#   3842:20  Unique         2.13, 5.14 A)
 &rst
  ixpk= 3842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1514,1515,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#   66 ALA  HA           67 VAL  MGX         6.00    (#   3843:20  Unique         3.08, 5.32 A)
 &rst
  ixpk= 3843, nxpk= 20, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#   36 PHE  HA           67 VAL  MGX         5.00    (#   3844:20  Unique         1.90, 4.51 A)
 &rst
  ixpk= 3844, nxpk= 20, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#   68 HIS  HN           67 VAL  MGX         5.00    (#   3845:20  Unique         1.91, 4.31 A)
 &rst
  ixpk= 3845, nxpk= 20, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#   92 GLN  HE2+         51 VAL  MGX         5.00    (#   3846:20  Unique         1.91, 4.08 A)
 &rst
  ixpk= 3846, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1472,1473,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   37 TRP  HD1          51 VAL  MGX         5.00    (#   3848:20  Unique         2.83, 5.01 A)
 &rst
  ixpk= 3848, nxpk= 20, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   52 ASN  HA           51 VAL  MGX         6.00    (#   3851:20  Unique         3.09, 5.50 A)
 &rst
  ixpk= 3851, nxpk= 20, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   81 ILE  HN           39 ILE  QG2         5.00    (#   3853:20  Unique         4.46, 5.59 A)
 &rst
  ixpk= 3853, nxpk= 20, iat=1293,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 641, 642, 643,
 &end
#
#   84 THR  HN           39 ILE  QG2         5.00    (#   3854:20  Unique         4.67, 5.89 A)
 &rst
  ixpk= 3854, nxpk= 20, iat=1349,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 641, 642, 643,
 &end
#
#   85 ALA  HN           39 ILE  QG2         5.00    (#   3855:20  Unique         3.07, 4.39 A)
 &rst
  ixpk= 3855, nxpk= 20, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 641, 642, 643,
 &end
#
#    0 AMB  20-2:3856     0 AMB  20-1:3856   5.00    (#   3856:20  Double Ambig)
 &rst
  ixpk= 3856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 715, 716, 604, 605,1573,1574,
 igr2= 762, 763, 764,1602,1603,1604,
 &end
#
#    0 AMB  20-2:3857    51 VAL  HA          5.00    (#   3857:20  Single Ambig)
 &rst
  ixpk= 3857, nxpk= 20, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 803, 804,1467,1468,
 &end
#
#   39 ILE  QD1           0 AMB  20-1:3859   6.00    (#   3859:20  Single Ambig)
 &rst
  ixpk= 3859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 648, 649, 650,
 igr2= 637,1173,1174,
 &end
#
#   39 ILE  HN           39 ILE  HA          5.00    (#   3860:20  Unique         2.74, 2.84 A)
 &rst
  ixpk= 3860, nxpk= 20, iat= 635, 637, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   96 VAL  MGY          78 PRO  HA          5.00    (#   3861:20  Unique         3.30, 5.14 A)
 &rst
  ixpk= 3861, nxpk= 20, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1536,1537,1538,1540,1541,1542,
 &end
#
#   96 VAL  MGX          78 PRO  HA          5.00    (#   3862:20  Unique         3.30, 5.14 A)
 &rst
  ixpk= 3862, nxpk= 20, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1536,1537,1538,1540,1541,1542,
 &end
#
#   20 GLU  HN           20 GLU  HA          4.00    (#   3863:20  Unique         2.18, 2.80 A)
 &rst
  ixpk= 3863, nxpk= 20, iat= 314, 316, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 VAL  MGY          20 GLU  HA          6.00    (#   3864:20  Unique         3.03, 5.31 A)
 &rst
  ixpk= 3864, nxpk= 20, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  20-2:3867    35 HIS  HA          4.00    (#   3867:20  Single Ambig)
 &rst
  ixpk= 3867, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1796,1805, 608,
 &end
#
#    0 AMB  20-2:3868    35 HIS  HA          6.00    (#   3868:20  Single Ambig)
 &rst
  ixpk= 3868, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1778,2008,2012,
 &end
#
#   35 HIS  HN           35 HIS  HA          4.00    (#   3869:20  Unique         2.89, 2.92 A)
 &rst
  ixpk= 3869, nxpk= 20, iat= 563, 565, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 LEU  MDY          35 HIS  HA          4.00    (#   3870:20  Unique         3.77, 5.92 A)
 &rst
  ixpk= 3870, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#   27 ILE  HG1+        121 GLY  HA-         5.00    (#   3871:20  Unique         2.81, 4.47 A)
 &rst
  ixpk= 3871, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 444, 445,
 igr2=1916,1917,
 &end
#
#    0 AMB  20-2:3872     0 AMB  20-1:3872   5.00    (#   3872:20  Double Ambig)
 &rst
  ixpk= 3872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 696, 697, 696, 697,
 igr2=2054,2055,2072,2073,
 &end
#
#    0 AMB  20-2:3873     0 AMB  20-1:3873   5.00    (#   3873:20  Double Ambig)
 &rst
  ixpk= 3873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 696, 697, 696, 697,
 igr2=2054,2055,2072,2073,
 &end
#
#   33 LEU  HG           33 LEU  HB+         5.00    (#   3874:20  Unique         2.25, 2.62 A)
 &rst
  ixpk= 3874, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 529, 530,
 &end
#
#   33 LEU  HG           33 LEU  HB-         5.00    (#   3875:20  Unique         2.25, 2.62 A)
 &rst
  ixpk= 3875, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 529, 530,
 &end
#
#   33 LEU  HN           33 LEU  HB+         4.00    (#   3876:20  Unique         2.41, 2.87 A)
 &rst
  ixpk= 3876, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 529, 530,
 &end
#
#   33 LEU  HN           33 LEU  HB-         5.00    (#   3877:20  Unique         2.41, 2.87 A)
 &rst
  ixpk= 3877, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 529, 530,
 &end
#
#    0 AMB  20-2:3878     0 AMB  20-1:3878   5.00    (#   3878:20  Double Ambig)
 &rst
  ixpk= 3878, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.25, r4= 9.75,
 igr1= 110, 111, 438, 366, 367,
 igr2=1916,1917, 455, 456,1916,1917,1916,1917,
 &end
#
#   17 LEU  HN           17 LEU  HB-         6.00    (#   3880:20  Unique         2.03, 2.91 A)
 &rst
  ixpk= 3880, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 278, 279,
 &end
#
#   17 LEU  HN           17 LEU  HB+         6.00    (#   3881:20  Unique         2.03, 2.91 A)
 &rst
  ixpk= 3881, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 278, 279,
 &end
#
#  123 LEU  MDY         126 PHE  HB-         5.00    (#   3882:20  Unique         2.01, 3.85 A)
 &rst
  ixpk= 3882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1947,1948,1949,1951,1952,1953,
 igr2=2002,2003,
 &end
#
#  123 LEU  MDY         126 PHE  HB+         4.00    (#   3883:20  Unique         2.01, 3.85 A)
 &rst
  ixpk= 3883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1947,1948,1949,1951,1952,1953,
 igr2=2002,2003,
 &end
#
#    0 AMB  20-2:3886     0 AMB  20-1:3886   6.00    (#   3886:20  Double Ambig)
 &rst
  ixpk= 3886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1238,1207,
 igr2=1223,1224,1223,1224,
 &end
#
#    0 AMB  20-2:3887    76 LEU  HB-         6.00    (#   3887:20  Single Ambig)
 &rst
  ixpk= 3887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1238,1207,
 igr2=1223,1224,
 &end
#
#  102 LEU  MDX         102 LEU  HB-         4.00    (#   3888:20  Unique         2.00, 3.35 A)
 &rst
  ixpk= 3888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2=1612,1613,
 &end
#
#  102 LEU  HA          102 LEU  HB-         5.00    (#   3889:20  Unique         2.31, 2.78 A)
 &rst
  ixpk= 3889, nxpk= 20, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1612,1613,
 &end
#
#  102 LEU  HA          102 LEU  HB+         6.00    (#   3890:20  Unique         2.31, 2.78 A)
 &rst
  ixpk= 3890, nxpk= 20, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1612,1613,
 &end
#
#    0 AMB  20-2:3891   102 LEU  HB-         5.00    (#   3891:20  Single Ambig)
 &rst
  ixpk= 3891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1=1608,1617,1618,1619,1621,1622,1623,
 igr2=1612,1613,
 &end
#
#    0 AMB  20-2:3892     0 AMB  20-1:3892   6.00    (#   3892:20  Double Ambig)
 &rst
  ixpk= 3892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1=1608,1617,1618,1619,1621,1622,1623,
 igr2=1612,1613,1612,1613,
 &end
#
#  115 TYR  HN          115 TYR  HB-         5.00    (#   3893:20  Unique         2.14, 3.12 A)
 &rst
  ixpk= 3893, nxpk= 20, iat=1809,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1813,1814,
 &end
#
#  115 TYR  HA          115 TYR  HB-         6.00    (#   3894:20  Unique         2.32, 2.73 A)
 &rst
  ixpk= 3894, nxpk= 20, iat=1811,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1813,1814,
 &end
#
#   34 ILE  HB          115 TYR  HB-         4.00    (#   3895:20  Unique         2.69, 4.04 A)
 &rst
  ixpk= 3895, nxpk= 20, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1813,1814,
 &end
#
#    0 AMB  20-2:3897   118 ASP  HB-         5.00    (#   3897:20  Single Ambig)
 &rst
  ixpk= 3897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1866,1914,
 igr2=1870,1871,
 &end
#
#    0 AMB  20-2:3898   118 ASP  HB-         4.00    (#   3898:20  Single Ambig)
 &rst
  ixpk= 3898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279,
 igr2=1870,1871,
 &end
#
#   61 GLN  HB+          58 TYR  HB-         5.00    (#   3899:20  Unique         2.16, 4.88 A)
 &rst
  ixpk= 3899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 993, 994,
 igr2= 943, 944,
 &end
#
#  119 LYS  HN           31 PRO  HB-         4.00    (#   3902:20  Unique         2.61, 3.79 A)
 &rst
  ixpk= 3902, nxpk= 20, iat=1878,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 504, 505,
 &end
#
#   67 VAL  HA           67 VAL  HB          5.00    (#   3903:20  Unique         2.48, 2.91 A)
 &rst
  ixpk= 3903, nxpk= 20, iat=1083,1085, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 HIS  HN           67 VAL  HB          6.00    (#   3904:20  Unique         3.26, 4.09 A)
 &rst
  ixpk= 3904, nxpk= 20, iat=1097,1085, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:3905    81 ILE  HG1-        4.00    (#   3905:20  Single Ambig)
 &rst
  ixpk= 3905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1278,1279, 645, 646,
 igr2=1303,1304,
 &end
#
#   92 GLN  HE2+         90 ILE  QG2         5.00    (#   3906:20  Unique         1.99, 6.06 A)
 &rst
  ixpk= 3906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1472,1473,
 igr2=1433,1434,1435,
 &end
#
#   18 ASN  HD2+         90 ILE  QG2         5.00    (#   3907:20  Unique         1.92, 5.70 A)
 &rst
  ixpk= 3907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 302, 303,
 igr2=1433,1434,1435,
 &end
#
#    0 AMB  20-2:3908    90 ILE  QG2         5.00    (#   3908:20  Single Ambig)
 &rst
  ixpk= 3908, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 608,1411,
 igr2=1433,1434,1435,
 &end
#
#   18 ASN  HD2-         90 ILE  QG2         6.00    (#   3909:20  Unique         1.92, 5.70 A)
 &rst
  ixpk= 3909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 302, 303,
 igr2=1433,1434,1435,
 &end
#
#   67 VAL  MGX          34 ILE  QG2         3.00    (#   3910:20  Unique         2.03, 4.92 A)
 &rst
  ixpk= 3910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1087,1088,1089,1091,1092,1093,
 igr2= 550, 551, 552,
 &end
#
#    0 AMB  20-2:3911    34 ILE  QG2         5.00    (#   3911:20  Single Ambig)
 &rst
  ixpk= 3911, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1813,1814, 567, 568,
 igr2= 550, 551, 552,
 &end
#
#  115 TYR  HE           34 ILE  QG2         5.00    (#   3912:20  Unique         1.92, 6.68 A)
 &rst
  ixpk= 3912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1819,1824,
 igr2= 550, 551, 552,
 &end
#
#  121 GLY  HN           27 ILE  QG2         5.00    (#   3914:20  Unique         2.17, 3.57 A)
 &rst
  ixpk= 3914, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 440, 441, 442,
 &end
#
#   82 LYS  HN           81 ILE  QD1         4.00    (#   3915:20  Unique         3.58, 5.10 A)
 &rst
  ixpk= 3915, nxpk= 20, iat=1312,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1306,1307,1308,
 &end
#
#   80 LYS  HN           39 ILE  QD1         5.00    (#   3916:20  Unique         4.92, 5.88 A)
 &rst
  ixpk= 3916, nxpk= 20, iat=1271,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 648, 649, 650,
 &end
#
#    0 AMB  20-2:3918    81 ILE  QD1         6.00    (#   3918:20  Single Ambig)
 &rst
  ixpk= 3918, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1295, 628, 629,
 igr2=1306,1307,1308,
 &end
#
#    7 MET  HA            7 MET  ME          5.00    (#   3919:20  Unique         2.35, 4.26 A)
 &rst
  ixpk= 3919, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 128, 129, 130,
 &end
#
#  121 GLY  HA-           7 MET  ME          5.00    (#   3920:20  Unique         1.91, 4.09 A)
 &rst
  ixpk= 3920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1916,1917,
 igr2= 128, 129, 130,
 &end
#
#   90 ILE  HN           90 ILE  QD1         5.00    (#   3921:20  Unique         2.00, 3.99 A)
 &rst
  ixpk= 3921, nxpk= 20, iat=1427,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1440,1441,1442,
 &end
#
#   88 HIS  HD2          90 ILE  QD1         5.00    (#   3922:20  Unique         2.58, 4.36 A)
 &rst
  ixpk= 3922, nxpk= 20, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1440,1441,1442,
 &end
#
#    0 AMB  20-2:3923    90 ILE  QD1         5.00    (#   3923:20  Single Ambig)
 &rst
  ixpk= 3923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.66, r4= 9.16,
 igr1=1504,1505,1506, 283, 284, 285, 287, 288, 289,
 igr2=1440,1441,1442,
 &end
#
#    0 AMB  20-2:3924    31 PRO  HA          4.00    (#   3924:20  Single Ambig)
 &rst
  ixpk= 3924, nxpk= 20, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279,
 &end
#
#   64 VAL  HN           64 VAL  HA          5.00    (#   3925:20  Unique         2.87, 2.92 A)
 &rst
  ixpk= 3925, nxpk= 20, iat=1039,1041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 THR  HN           32 THR  HA          6.00    (#   3926:20  Unique         2.94, 2.95 A)
 &rst
  ixpk= 3926, nxpk= 20, iat= 511, 513, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:3927    32 THR  HA          6.00    (#   3927:20  Single Ambig)
 &rst
  ixpk= 3927, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 504, 505,1010,1011, 554, 555, 501, 502, 479, 480,
      
 &end
#
#   64 VAL  MGX          64 VAL  HA          3.00    (#   3928:20  Unique         2.22, 3.13 A)
 &rst
  ixpk= 3928, nxpk= 20, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1045,1046,1047,1049,1050,1051,
 &end
#
#   90 ILE  HN           90 ILE  HA          5.00    (#   3929:20  Unique         2.26, 2.64 A)
 &rst
  ixpk= 3929, nxpk= 20, iat=1427,1429, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:3930    90 ILE  HA          5.00    (#   3930:20  Single Ambig)
 &rst
  ixpk= 3930, nxpk= 20, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 302, 303, 846,
 &end
#
#   91 THR  MG2          90 ILE  HA          5.00    (#   3931:20  Unique         3.06, 4.48 A)
 &rst
  ixpk= 3931, nxpk= 20, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1452,1453,1454,
 &end
#
#   90 ILE  HB           90 ILE  HA          5.00    (#   3932:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 3932, nxpk= 20, iat=1431,1429, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 ILE  QD1          90 ILE  HA          6.00    (#   3933:20  Unique         2.20, 4.76 A)
 &rst
  ixpk= 3933, nxpk= 20, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1440,1441,1442,
 &end
#
#    0 AMB  20-2:3935     0 AMB  20-1:3935   6.00    (#   3935:20  Double Ambig)
 &rst
  ixpk= 3935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1850,1851, 231, 232,
 igr2= 361,1314,
 &end
#
#   86 ALA  HN           82 LYS  HA          5.00    (#   3936:20  Unique         3.70, 4.15 A)
 &rst
  ixpk= 3936, nxpk= 20, iat=1373,1314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 PHE  HB+          36 PHE  HA          4.00    (#   3937:20  Unique         2.55, 2.90 A)
 &rst
  ixpk= 3937, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 584, 585,
 &end
#
#    0 AMB  20-2:3938    36 PHE  HA          6.00    (#   3938:20  Single Ambig)
 &rst
  ixpk= 3938, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1754,1755,1756,1758,1759,1760,1497,1498,1499,
 &end
#
#   67 VAL  MGX          36 PHE  HA          6.00    (#   3939:20  Unique         1.90, 4.51 A)
 &rst
  ixpk= 3939, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1087,1088,1089,1091,1092,1093,
 &end
#
#   67 VAL  MGY          36 PHE  HA          6.00    (#   3940:20  Unique         1.90, 4.51 A)
 &rst
  ixpk= 3940, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1087,1088,1089,1091,1092,1093,
 &end
#
#   17 LEU  HN           16 TRP  HA          3.00    (#   3942:20  Unique         2.21, 2.24 A)
 &rst
  ixpk= 3942, nxpk= 20, iat= 274, 252, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   17 LEU  HN           16 TRP  HA          3.00    (#   3943:20  Unique         2.21, 2.24 A)
 &rst
  ixpk= 3943, nxpk= 20, iat= 274, 252, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   16 TRP  HN           16 TRP  HA          5.00    (#   3944:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 3944, nxpk= 20, iat= 250, 252, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 TRP  HE3          16 TRP  HA          4.00    (#   3945:20  Unique         3.44, 4.82 A)
 &rst
  ixpk= 3945, nxpk= 20, iat= 269, 252, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:3946    16 TRP  HA          6.00    (#   3946:20  Single Ambig)
 &rst
  ixpk= 3946, nxpk= 20, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1514,1515, 278, 279,
 &end
#
#   37 TRP  HD1          36 PHE  HA          5.00    (#   3948:20  Unique         3.95, 4.38 A)
 &rst
  ixpk= 3948, nxpk= 20, iat= 608, 582, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  124 ARG  HN          117 PHE  HA          4.00    (#   3950:20  Unique         2.10, 2.45 A)
 &rst
  ixpk= 3950, nxpk= 20, iat=1957,1848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:3951   117 PHE  HA          5.00    (#   3951:20  Single Ambig)
 &rst
  ixpk= 3951, nxpk= 20, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1947,1948,1949,1951,1952,1953,1836,1837,1838,1840,
      1841,1842,1836,1837,1838,1840,1841,1842,
 &end
#
#  123 LEU  MDY         117 PHE  HA          6.00    (#   3952:20  Unique         3.20, 5.47 A)
 &rst
  ixpk= 3952, nxpk= 20, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1947,1948,1949,1951,1952,1953,
 &end
#
#  123 LEU  MDY         126 PHE  HA          6.00    (#   3955:20  Unique         3.53, 5.39 A)
 &rst
  ixpk= 3955, nxpk= 20, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1947,1948,1949,1951,1952,1953,
 &end
#
#   20 GLU  HG-          20 GLU  HA          6.00    (#   3956:20  Unique         1.96, 3.18 A)
 &rst
  ixpk= 3956, nxpk= 20, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 321, 322,
 &end
#
#    0 AMB  20-2:3957   126 PHE  HA          6.00    (#   3957:20  Single Ambig)
 &rst
  ixpk= 3957, nxpk= 20, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2022,2023,  50,
 &end
#
#   82 LYS  HB-          79 GLY  HA-         4.00    (#   3958:20  Unique         3.37, 4.99 A)
 &rst
  ixpk= 3958, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1316,1317,
 igr2=1266,1267,
 &end
#
#   33 LEU  HA           33 LEU  HB+         6.00    (#   3959:20  Unique         2.25, 2.68 A)
 &rst
  ixpk= 3959, nxpk= 20, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 529, 530,
 &end
#
#   33 LEU  HA           33 LEU  HB-         5.00    (#   3960:20  Unique         2.25, 2.68 A)
 &rst
  ixpk= 3960, nxpk= 20, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 529, 530,
 &end
#
#   64 VAL  HA           33 LEU  HB-         6.00    (#   3961:20  Unique         2.53, 3.58 A)
 &rst
  ixpk= 3961, nxpk= 20, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 529, 530,
 &end
#
#  124 ARG  HG-         124 ARG  HD+         5.00    (#   3963:20  Unique         2.27, 2.75 A)
 &rst
  ixpk= 3963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1964,1965,
 igr2=1967,1968,
 &end
#
#  124 ARG  HB-         124 ARG  HD+         5.00    (#   3964:20  Unique         2.36, 3.42 A)
 &rst
  ixpk= 3964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1961,1962,
 igr2=1967,1968,
 &end
#
#    0 AMB  20-2:3965     0 AMB  20-1:3965   5.00    (#   3965:20  Double Ambig)
 &rst
  ixpk= 3965, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=2273,2274,2275,2277,2278,2279,2273,2274,2275,2277,
      2278,2279,
 igr2=1967,1968,1967,1968,
 &end
#
#   63 ASN  HN           63 ASN  HB-         5.00    (#   3967:20  Unique         2.34, 3.06 A)
 &rst
  ixpk= 3967, nxpk= 20, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1029,1030,
 &end
#
#  136 LEU  HN          136 LEU  HB-         4.00    (#   3968:20  Unique         2.05, 2.57 A)
 &rst
  ixpk= 3968, nxpk= 20, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2137,2138,
 &end
#
#  108 ASN  HD2+        108 ASN  HB+         4.00    (#   3969:20  Unique         2.15, 3.55 A)
 &rst
  ixpk= 3969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1707,1708,
 igr2=1702,1703,
 &end
#
#  108 ASN  HD2+        108 ASN  HB-         5.00    (#   3970:20  Unique         2.15, 3.55 A)
 &rst
  ixpk= 3970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1707,1708,
 igr2=1702,1703,
 &end
#
#    0 AMB  20-2:3971     0 AMB  20-1:3971   6.00    (#   3971:20  Double Ambig)
 &rst
  ixpk= 3971, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1039, 511,
 igr2=1029,1030,1029,1030,
 &end
#
#  124 ARG  HG+         118 ASP  HB-         5.00    (#   3972:20  Unique         2.30, 4.26 A)
 &rst
  ixpk= 3972, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1964,1965,
 igr2=1870,1871,
 &end
#
#  124 ARG  HG-         118 ASP  HB-         5.00    (#   3973:20  Unique         2.30, 4.26 A)
 &rst
  ixpk= 3973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1964,1965,
 igr2=1870,1871,
 &end
#
#   74 ASP  HN           74 ASP  HB+         4.00    (#   3974:20  Unique         2.06, 2.95 A)
 &rst
  ixpk= 3974, nxpk= 20, iat=1195,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1199,1200,
 &end
#
#   75 ASP  HN           74 ASP  HB+         6.00    (#   3975:20  Unique         2.07, 2.87 A)
 &rst
  ixpk= 3975, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1199,1200,
 &end
#
#   75 ASP  HN           74 ASP  HB-         6.00    (#   3976:20  Unique         2.07, 2.87 A)
 &rst
  ixpk= 3976, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1199,1200,
 &end
#
#   63 ASN  HD2+         63 ASN  HB-         6.00    (#   3977:20  Unique         2.10, 3.26 A)
 &rst
  ixpk= 3977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1034,1035,
 igr2=1029,1030,
 &end
#
#   63 ASN  HD2+         63 ASN  HB+         5.00    (#   3978:20  Unique         2.10, 3.26 A)
 &rst
  ixpk= 3978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1034,1035,
 igr2=1029,1030,
 &end
#
#  141 ASN  HD2-        141 ASN  HB-         4.00    (#   3980:20  Unique         2.12, 3.28 A)
 &rst
  ixpk= 3980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2238,2239,
 igr2=2233,2234,
 &end
#
#   61 GLN  HB+          58 TYR  HB+         5.00    (#   3981:20  Unique         2.16, 4.88 A)
 &rst
  ixpk= 3981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 993, 994,
 igr2= 943, 944,
 &end
#
#   62 LEU  HB+          58 TYR  HB+         5.00    (#   3982:20  Unique         1.95, 3.79 A)
 &rst
  ixpk= 3982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1010,1011,
 igr2= 943, 944,
 &end
#
#   62 LEU  HB+          58 TYR  HB-         5.00    (#   3983:20  Unique         1.95, 3.79 A)
 &rst
  ixpk= 3983, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1010,1011,
 igr2= 943, 944,
 &end
#
#    0 AMB  20-2:3984    54 PHE  HB-         5.00    (#   3984:20  Single Ambig)
 &rst
  ixpk= 3984, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 924, 925,2219,2220,2221,2223,2224,2225,
 igr2= 865, 866,
 &end
#
#   33 LEU  MDX          54 PHE  HB-         6.00    (#   3985:20  Unique         3.91, 7.37 A)
 &rst
  ixpk= 3985, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 534, 535, 536, 538, 539, 540,
 igr2= 865, 866,
 &end
#
#   57 LYS  HG-          54 PHE  HB+         6.00    (#   3986:20  Unique         3.35, 6.00 A)
 &rst
  ixpk= 3986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 924, 925,
 igr2= 865, 866,
 &end
#
#    0 AMB  20-2:3988    24 GLU  HG-         5.00    (#   3988:20  Single Ambig)
 &rst
  ixpk= 3988, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 398, 345,
 igr2= 390, 391,
 &end
#
#   25 GLN  HN           24 GLU  HG+         5.00    (#   3989:20  Unique         2.48, 3.47 A)
 &rst
  ixpk= 3989, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 390, 391,
 &end
#
#   94 ILE  HN           18 ASN  HB-         6.00    (#   3990:20  Unique         2.03, 3.51 A)
 &rst
  ixpk= 3990, nxpk= 20, iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 297, 298,
 &end
#
#   94 ILE  HN           18 ASN  HB+         6.00    (#   3991:20  Unique         2.03, 3.51 A)
 &rst
  ixpk= 3991, nxpk= 20, iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 297, 298,
 &end
#
#    0 AMB  20-2:3992     0 AMB  20-1:3992   5.00    (#   3992:20  Double Ambig)
 &rst
  ixpk= 3992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 460, 453,
 igr2= 467, 468, 467, 468,
 &end
#
#   30 LYS  HN           29 GLU  HG+         6.00    (#   3993:20  Unique         2.84, 3.99 A)
 &rst
  ixpk= 3993, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 467, 468,
 &end
#
#   30 LYS  HN           29 GLU  HG-         6.00    (#   3994:20  Unique         2.84, 3.99 A)
 &rst
  ixpk= 3994, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 467, 468,
 &end
#
#   37 TRP  HA           37 TRP  HB-         6.00    (#   3996:20  Unique         2.31, 2.65 A)
 &rst
  ixpk= 3996, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 604, 605,
 &end
#
#   37 TRP  HA           37 TRP  HB+         5.00    (#   3997:20  Unique         2.31, 2.65 A)
 &rst
  ixpk= 3997, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 604, 605,
 &end
#
#    0 AMB  20-2:3998     0 AMB  20-1:3998   5.00    (#   3998:20  Double Ambig)
 &rst
  ixpk= 3998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1629,1685,
 igr2=1585,1586,1585,1586,
 &end
#
#    0 AMB  20-2:3999   100 HIS  HB-         5.00    (#   3999:20  Single Ambig)
 &rst
  ixpk= 3999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1629,1685,
 igr2=1585,1586,
 &end
#
#   48 MET  HN           48 MET  HB+         4.00    (#   4000:20  Unique         1.97, 2.83 A)
 &rst
  ixpk= 4000, nxpk= 20, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 772, 773,
 &end
#
#   48 MET  HA           48 MET  HB+         4.00    (#   4001:20  Unique         2.33, 2.81 A)
 &rst
  ixpk= 4001, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 772, 773,
 &end
#
#    0 AMB  20-2:4002    48 MET  HB-         4.00    (#   4002:20  Single Ambig)
 &rst
  ixpk= 4002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 786, 787, 723,
 igr2= 772, 773,
 &end
#
#   49 PRO  HD+          48 MET  HB-         5.00    (#   4003:20  Unique         1.88, 3.26 A)
 &rst
  ixpk= 4003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 786, 787,
 igr2= 772, 773,
 &end
#
#   36 PHE  HN          113 ALA  MB          6.00    (#   4004:20  Unique         2.69, 4.27 A)
 &rst
  ixpk= 4004, nxpk= 20, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1782,1783,1784,
 &end
#
#   92 GLN  HA           92 GLN  HB+         5.00    (#   4005:20  Unique         2.30, 2.49 A)
 &rst
  ixpk= 4005, nxpk= 20, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1464,1465,
 &end
#
#    0 AMB  20-2:4006     7 MET  HA          5.00    (#   4006:20  Single Ambig)
 &rst
  ixpk= 4006, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 138, 139, 554, 555,
 &end
#
#   92 GLN  HN           91 THR  HA          5.00    (#   4007:20  Unique         3.55, 3.62 A)
 &rst
  ixpk= 4007, nxpk= 20, iat=1460,1448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  139 ARG  HG-         139 ARG  HA          6.00    (#   4009:20  Unique         2.38, 3.15 A)
 &rst
  ixpk= 4009, nxpk= 20, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2196,2197,
 &end
#
#   10 LEU  HN           10 LEU  HA          5.00    (#   4011:20  Unique         2.78, 2.85 A)
 &rst
  ixpk= 4011, nxpk= 20, iat= 163, 165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 LEU  HB-          10 LEU  HA          3.00    (#   4012:20  Unique         2.38, 2.78 A)
 &rst
  ixpk= 4012, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 167, 168,
 &end
#
#    0 AMB  20-2:4013    10 LEU  HA          5.00    (#   4013:20  Single Ambig)
 &rst
  ixpk= 4013, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 188, 189, 190, 351, 352, 353,1612,1613, 138, 139,
      
 &end
#
#    0 AMB  20-2:4014   145 ALA  HA          6.00    (#   4014:20  Single Ambig)
 &rst
  ixpk= 4014, nxpk= 20, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2316,2317,2271,
 &end
#
#   51 VAL  MGX          35 HIS  HA          6.00    (#   4015:20  Unique         6.32, 8.41 A)
 &rst
  ixpk= 4015, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   11 THR  HN           11 THR  HA          5.00    (#   4016:20  Unique         2.91, 2.92 A)
 &rst
  ixpk= 4016, nxpk= 20, iat= 182, 184, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 THR  HN           11 THR  HB          5.00    (#   4017:20  Unique         3.21, 3.37 A)
 &rst
  ixpk= 4017, nxpk= 20, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:4018    11 THR  MG2         5.00    (#   4018:20  Single Ambig)
 &rst
  ixpk= 4018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 148,1581,
 igr2= 188, 189, 190,
 &end
#
#    0 AMB  20-2:4019     0 AMB  20-1:4019   4.00    (#   4019:20  Double Ambig)
 &rst
  ixpk= 4019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1602,1603,1604, 167, 168,
 igr2= 198, 199, 198, 199,
 &end
#
#   33 LEU  HN           33 LEU  HA          4.00    (#   4020:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 4020, nxpk= 20, iat= 525, 527, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 LEU  HG           33 LEU  HA          5.00    (#   4022:20  Unique         2.29, 3.34 A)
 &rst
  ixpk= 4022, nxpk= 20, iat= 532, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ASN  HD2-         18 ASN  HB+         5.00    (#   4024:20  Unique         2.10, 3.12 A)
 &rst
  ixpk= 4024, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 302, 303,
 igr2= 297, 298,
 &end
#
#   18 ASN  HD2+         18 ASN  HB-         4.00    (#   4025:20  Unique         2.10, 3.12 A)
 &rst
  ixpk= 4025, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 302, 303,
 igr2= 297, 298,
 &end
#
#    0 AMB  20-2:4026     0 AMB  20-1:4026   4.00    (#   4026:20  Double Ambig)
 &rst
  ixpk= 4026, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1514,1515, 316,
 igr2= 318, 319, 318, 319,
 &end
#
#   20 GLU  HG-          20 GLU  HB+         4.00    (#   4027:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 4027, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 321, 322,
 igr2= 318, 319,
 &end
#
#   21 VAL  HN           20 GLU  HB+         5.00    (#   4028:20  Unique         2.20, 3.77 A)
 &rst
  ixpk= 4028, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 318, 319,
 &end
#
#   20 GLU  HN           20 GLU  HB-         4.00    (#   4029:20  Unique         2.07, 3.07 A)
 &rst
  ixpk= 4029, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 318, 319,
 &end
#
#   17 LEU  HN           96 VAL  MGY         5.00    (#   4030:20  Unique         2.79, 5.66 A)
 &rst
  ixpk= 4030, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1536,1537,1538,1540,1541,1542,
 &end
#
#   85 ALA  MB           82 LYS  HA          3.00    (#   4033:20  Unique         3.13, 4.15 A)
 &rst
  ixpk= 4033, nxpk= 20, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1367,1368,1369,
 &end
#
#    0 AMB  20-2:4034     0 AMB  20-1:4034   3.00    (#   4034:20  Double Ambig)
 &rst
  ixpk= 4034, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 283, 284, 285, 287, 288, 289, 172, 173, 174, 176,
       177, 178,
 igr2=1314, 361,
 &end
#
#   24 GLU  HG+          24 GLU  HA          4.00    (#   4035:20  Unique         3.54, 3.79 A)
 &rst
  ixpk= 4035, nxpk= 20, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 390, 391,
 &end
#
#   65 VAL  MGY           0 AMB  20-1:4036   4.00    (#   4036:20  Single Ambig)
 &rst
  ixpk= 4036, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1061,1062,1063,1065,1066,1067,
 igr2= 422,1464,1465,
 &end
#
#    0 AMB  20-2:4037    26 LEU  MDX         6.00    (#   4037:20  Single Ambig)
 &rst
  ixpk= 4037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 398, 345,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#  120 THR  HA           27 ILE  QD1         6.00    (#   4038:20  Unique         4.05, 5.82 A)
 &rst
  ixpk= 4038, nxpk= 20, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 447, 448, 449,
 &end
#
#   26 LEU  MDY          27 ILE  HA          4.00    (#   4039:20  Unique         2.07, 6.74 A)
 &rst
  ixpk= 4039, nxpk= 20, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:4040    30 LYS  HA          4.00    (#   4040:20  Single Ambig)
 &rst
  ixpk= 4040, nxpk= 20, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1882,1883, 482, 483,
 &end
#
#    0 AMB  20-2:4041    30 LYS  HA          4.00    (#   4041:20  Single Ambig)
 &rst
  ixpk= 4041, nxpk= 20, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1882,1883, 482, 483,
 &end
#
#    0 AMB  20-2:4042    30 LYS  HA          4.00    (#   4042:20  Single Ambig)
 &rst
  ixpk= 4042, nxpk= 20, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1882,1883, 479, 480,
 &end
#
#   31 PRO  HD-          30 LYS  HA          3.00    (#   4043:20  Unique         1.97, 2.45 A)
 &rst
  ixpk= 4043, nxpk= 20, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 498, 499,
 &end
#
#   31 PRO  HD+          30 LYS  HA          3.00    (#   4044:20  Unique         1.97, 2.45 A)
 &rst
  ixpk= 4044, nxpk= 20, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 498, 499,
 &end
#
#   30 LYS  HN           30 LYS  HA          6.00    (#   4045:20  Unique         2.93, 2.93 A)
 &rst
  ixpk= 4045, nxpk= 20, iat= 475, 477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:4046    30 LYS  HA          4.00    (#   4046:20  Single Ambig)
 &rst
  ixpk= 4046, nxpk= 20, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 479, 480,2345,2346,
 &end
#
#   30 LYS  HN           30 LYS  HG+         5.00    (#   4047:20  Unique         1.98, 3.55 A)
 &rst
  ixpk= 4047, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 482, 483,
 &end
#
#   30 LYS  HN           30 LYS  HG+         5.00    (#   4048:20  Unique         1.98, 3.55 A)
 &rst
  ixpk= 4048, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 482, 483,
 &end
#
#   78 PRO  HG-          78 PRO  HD+         3.00    (#   4049:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1254,1255,
 igr2=1251,1252,
 &end
#
#  117 PHE  HN           33 LEU  HA          5.00    (#   4050:20  Unique         3.06, 3.31 A)
 &rst
  ixpk= 4050, nxpk= 20, iat=1846, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HN           33 LEU  MDX         5.00    (#   4051:20  Unique         2.79, 5.49 A)
 &rst
  ixpk= 4051, nxpk= 20, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   34 ILE  HN           33 LEU  MDX         5.00    (#   4052:20  Unique         1.93, 4.37 A)
 &rst
  ixpk= 4052, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   34 ILE  HN           34 ILE  QD1         6.00    (#   4053:20  Unique         2.47, 4.27 A)
 &rst
  ixpk= 4053, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 557, 558, 559,
 &end
#
#    0 AMB  20-2:4054    34 ILE  QD1         6.00    (#   4054:20  Single Ambig)
 &rst
  ixpk= 4054, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 563,1055,
 igr2= 557, 558, 559,
 &end
#
#   54 PHE  HE           35 HIS  HB+         5.00    (#   4056:20  Unique         4.45, 9.49 A)
 &rst
  ixpk= 4056, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 871, 875,
 igr2= 567, 568,
 &end
#
#   37 TRP  HD1          35 HIS  HB-         4.00    (#   4058:20  Unique         3.43, 5.12 A)
 &rst
  ixpk= 4058, nxpk= 20, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 567, 568,
 &end
#
#   37 TRP  HN           37 TRP  HA          5.00    (#   4059:20  Unique         2.92, 2.94 A)
 &rst
  ixpk= 4059, nxpk= 20, iat= 600, 602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:4060    37 TRP  HA          6.00    (#   4060:20  Single Ambig)
 &rst
  ixpk= 4060, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1121,1122,1101,1102,
 &end
#
#  111 VAL  MGX          37 TRP  HA          4.00    (#   4061:20  Unique         2.44, 5.28 A)
 &rst
  ixpk= 4061, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1754,1755,1756,1758,1759,1760,
 &end
#
#   16 TRP  HA           16 TRP  HB+         4.00    (#   4062:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 4062, nxpk= 20, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 254, 255,
 &end
#
#   16 TRP  HE3          16 TRP  HB-         5.00    (#   4063:20  Unique         2.34, 3.00 A)
 &rst
  ixpk= 4063, nxpk= 20, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 254, 255,
 &end
#
#   17 LEU  HN           16 TRP  HB-         6.00    (#   4065:20  Unique         2.90, 4.06 A)
 &rst
  ixpk= 4065, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 254, 255,
 &end
#
#   17 LEU  HN           16 TRP  HB+         6.00    (#   4066:20  Unique         2.90, 4.06 A)
 &rst
  ixpk= 4066, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 254, 255,
 &end
#
#   16 TRP  HN           16 TRP  HB+         5.00    (#   4067:20  Unique         2.20, 3.20 A)
 &rst
  ixpk= 4067, nxpk= 20, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 254, 255,
 &end
#
#   38 SER  HN           38 SER  HA          5.00    (#   4068:20  Unique         2.85, 2.86 A)
 &rst
  ixpk= 4068, nxpk= 20, iat= 624, 626, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:4069    38 SER  HB-         6.00    (#   4069:20  Single Ambig)
 &rst
  ixpk= 4069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 669, 670,1155,1156,1211,1212,
 igr2= 628, 629,
 &end
#
#    0 AMB  20-2:4070    38 SER  HB-         6.00    (#   4070:20  Single Ambig)
 &rst
  ixpk= 4070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1149,1150,1118,1119,
 igr2= 628, 629,
 &end
#
#  111 VAL  MGY          38 SER  HB-         6.00    (#   4071:20  Unique         2.56, 5.47 A)
 &rst
  ixpk= 4071, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1754,1755,1756,1758,1759,1760,
 igr2= 628, 629,
 &end
#
#   39 ILE  HN           39 ILE  HB          5.00    (#   4072:20  Unique         3.48, 3.53 A)
 &rst
  ixpk= 4072, nxpk= 20, iat= 635, 639, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  144 LEU  HN          143 VAL  HA          6.00    (#   4073:20  Unique         3.50, 3.56 A)
 &rst
  ixpk= 4073, nxpk= 20, iat=2283,2269, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   45 LYS  HN           45 LYS  HA          4.00    (#   4074:20  Unique         2.75, 2.82 A)
 &rst
  ixpk= 4074, nxpk= 20, iat= 721, 723, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   46 GLU  HN           45 LYS  HA          5.00    (#   4075:20  Unique         3.47, 3.51 A)
 &rst
  ixpk= 4075, nxpk= 20, iat= 743, 723, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 MET  HN           45 LYS  HA          5.00    (#   4076:20  Unique         2.97, 3.43 A)
 &rst
  ixpk= 4076, nxpk= 20, iat= 768, 723, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 MET  ME           45 LYS  HA          6.00    (#   4077:20  Unique         2.18, 4.76 A)
 &rst
  ixpk= 4077, nxpk= 20, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 779, 780, 781,
 &end
#
#   52 ASN  HD2+         49 PRO  HA          5.00    (#   4078:20  Unique         1.85, 3.11 A)
 &rst
  ixpk= 4078, nxpk= 20, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 841, 842,
 &end
#
#   50 GLN  HN           49 PRO  HA          6.00    (#   4079:20  Unique         3.21, 3.32 A)
 &rst
  ixpk= 4079, nxpk= 20, iat= 799, 795, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:4080    49 PRO  HA          6.00    (#   4080:20  Single Ambig)
 &rst
  ixpk= 4080, nxpk= 20, iat=  -1, 795, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 846, 861,
 &end
#
#   52 ASN  HN           49 PRO  HA          5.00    (#   4081:20  Unique         3.73, 3.97 A)
 &rst
  ixpk= 4081, nxpk= 20, iat= 832, 795, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 PRO  HD+          49 PRO  HB-         5.00    (#   4083:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 4083, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 786, 787,
 igr2= 792, 793,
 &end
#
#   49 PRO  HD-          49 PRO  HB-         5.00    (#   4084:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 4084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 786, 787,
 igr2= 792, 793,
 &end
#
#    0 AMB  20-2:4085     0 AMB  20-1:4085   4.00    (#   4085:20  Double Ambig)
 &rst
  ixpk= 4085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1719,1720,1657,1658,1659,  15,  16,  17,  31,  32,
       921, 922,
 igr2=1665, 801,
 &end
#
#    0 AMB  20-2:4086    50 GLN  HA          4.00    (#   4086:20  Single Ambig)
 &rst
  ixpk= 4086, nxpk= 20, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 861, 846,
 &end
#
#   88 HIS  HN           87 GLU  HG-         5.00    (#   4087:20  Unique         2.82, 5.11 A)
 &rst
  ixpk= 4087, nxpk= 20, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1390,1391,
 &end
#
#    4 ARG  HN          122 GLN  HB+         5.00    (#   4088:20  Unique         4.46, 6.11 A)
 &rst
  ixpk= 4088, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1925,1926,
 &end
#
#   56 ASP  HA           56 ASP  HB+         4.00    (#   4089:20  Unique         2.40, 2.81 A)
 &rst
  ixpk= 4089, nxpk= 20, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 909, 910,
 &end
#
#   57 LYS  HG-          57 LYS  HA          3.00    (#   4090:20  Unique         2.29, 3.26 A)
 &rst
  ixpk= 4090, nxpk= 20, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 924, 925,
 &end
#
#   57 LYS  HN           57 LYS  HG-         5.00    (#   4091:20  Unique         2.42, 4.01 A)
 &rst
  ixpk= 4091, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 924, 925,
 &end
#
#   57 LYS  HN           57 LYS  HG+         6.00    (#   4092:20  Unique         2.42, 4.01 A)
 &rst
  ixpk= 4092, nxpk= 20, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 924, 925,
 &end
#
#   58 TYR  HN           57 LYS  HG-         6.00    (#   4093:20  Unique         2.07, 3.70 A)
 &rst
  ixpk= 4093, nxpk= 20, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 924, 925,
 &end
#
#   58 TYR  HN           57 LYS  HG+         6.00    (#   4094:20  Unique         2.07, 3.70 A)
 &rst
  ixpk= 4094, nxpk= 20, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 924, 925,
 &end
#
#   57 LYS  HA           57 LYS  HD+         6.00    (#   4095:20  Unique         2.22, 4.24 A)
 &rst
  ixpk= 4095, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 927, 928,
 &end
#
#   57 LYS  HA           57 LYS  HD-         6.00    (#   4096:20  Unique         2.22, 4.24 A)
 &rst
  ixpk= 4096, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 927, 928,
 &end
#
#   58 TYR  HD           58 TYR  HB+         5.00    (#   4097:20  Unique         2.32, 3.08 A)
 &rst
  ixpk= 4097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 947, 956,
 igr2= 943, 944,
 &end
#
#   54 PHE  HD           54 PHE  HB+         4.00    (#   4100:20  Unique         2.29, 3.06 A)
 &rst
  ixpk= 4100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 869, 877,
 igr2= 865, 866,
 &end
#
#   63 ASN  HN           62 LEU  HA          3.00    (#   4102:20  Unique         2.18, 2.25 A)
 &rst
  ixpk= 4102, nxpk= 20, iat=1025,1008, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 LEU  MDX          62 LEU  HA          3.00    (#   4103:20  Unique         1.96, 4.01 A)
 &rst
  ixpk= 4103, nxpk= 20, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1015,1016,1017,1019,1020,1021,
 &end
#
#   62 LEU  HB+          62 LEU  HA          3.00    (#   4104:20  Unique         2.20, 2.63 A)
 &rst
  ixpk= 4104, nxpk= 20, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1010,1011,
 &end
#
#   62 LEU  HA           62 LEU  MDX         3.00    (#   4105:20  Unique         1.96, 4.01 A)
 &rst
  ixpk= 4105, nxpk= 20, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   63 ASN  HN           62 LEU  MDY         5.00    (#   4106:20  Unique         1.96, 4.03 A)
 &rst
  ixpk= 4106, nxpk= 20, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   62 LEU  HN           62 LEU  MDY         5.00    (#   4107:20  Unique         3.09, 5.04 A)
 &rst
  ixpk= 4107, nxpk= 20, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#   62 LEU  HA           62 LEU  MDY         5.00    (#   4108:20  Unique         1.96, 4.01 A)
 &rst
  ixpk= 4108, nxpk= 20, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1015,1016,1017,1019,1020,1021,
 &end
#
#    0 AMB  20-2:4109    64 VAL  HB          6.00    (#   4109:20  Single Ambig)
 &rst
  ixpk= 4109, nxpk= 20, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1055,1071,
 &end
#
#   64 VAL  HN           64 VAL  HB          4.00    (#   4110:20  Unique         2.27, 2.54 A)
 &rst
  ixpk= 4110, nxpk= 20, iat=1039,1043, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 VAL  HN           64 VAL  MGY         4.00    (#   4111:20  Unique         2.05, 3.91 A)
 &rst
  ixpk= 4111, nxpk= 20, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1045,1046,1047,1049,1050,1051,
 &end
#
#   67 VAL  MGX          65 VAL  MGY         5.00    (#   4112:20  Unique         3.23, 7.69 A)
 &rst
  ixpk= 4112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=1087,1088,1089,1091,1092,1093,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#    0 AMB  20-2:4113    65 VAL  MGY         3.00    (#   4113:20  Single Ambig)
 &rst
  ixpk= 4113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 554, 555,1059,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#   65 VAL  HA           65 VAL  MGY         3.00    (#   4114:20  Unique         2.48, 3.58 A)
 &rst
  ixpk= 4114, nxpk= 20, iat=1057,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1061,1062,1063,1065,1066,1067,
 &end
#
#    0 AMB  20-2:4115    67 VAL  MGY         5.00    (#   4115:20  Single Ambig)
 &rst
  ixpk= 4115, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1118,1119,1125,1126,1127,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#   95 PHE  HB+          67 VAL  MGY         5.00    (#   4116:20  Unique         2.13, 5.14 A)
 &rst
  ixpk= 4116, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1514,1515,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#   95 PHE  HD           67 VAL  MGY         4.00    (#   4119:20  Unique         1.99, 5.36 A)
 &rst
  ixpk= 4119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1518,1526,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#   67 VAL  HN           67 VAL  MGY         5.00    (#   4120:20  Unique         1.93, 4.11 A)
 &rst
  ixpk= 4120, nxpk= 20, iat=1081,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1087,1088,1089,1091,1092,1093,
 &end
#
#   68 HIS  HN           68 HIS  HB-         5.00    (#   4121:20  Unique         2.05, 2.76 A)
 &rst
  ixpk= 4121, nxpk= 20, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1101,1102,
 &end
#
#   68 HIS  HN           68 HIS  HB+         5.00    (#   4122:20  Unique         2.05, 2.76 A)
 &rst
  ixpk= 4122, nxpk= 20, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1101,1102,
 &end
#
#   69 MET  HN           69 MET  ME          6.00    (#   4124:20  Unique         4.79, 6.40 A)
 &rst
  ixpk= 4124, nxpk= 20, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1125,1126,1127,
 &end
#
#  108 ASN  HD2-         69 MET  ME          5.00    (#   4125:20  Unique         1.87, 3.41 A)
 &rst
  ixpk= 4125, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1707,1708,
 igr2=1125,1126,1127,
 &end
#
#   69 MET  HG-          69 MET  ME          3.00    (#   4126:20  Unique         2.01, 3.45 A)
 &rst
  ixpk= 4126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1121,1122,
 igr2=1125,1126,1127,
 &end
#
#  111 VAL  MGY          69 MET  ME          3.00    (#   4127:20  Unique         1.94, 4.68 A)
 &rst
  ixpk= 4127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1754,1755,1756,1758,1759,1760,
 igr2=1125,1126,1127,
 &end
#
#  111 VAL  MGX          69 MET  ME          3.00    (#   4128:20  Unique         1.94, 4.68 A)
 &rst
  ixpk= 4128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1754,1755,1756,1758,1759,1760,
 igr2=1125,1126,1127,
 &end
#
#   51 VAL  MGX         133 MET  ME          5.00    (#   4129:20  Unique         2.49, 6.38 A)
 &rst
  ixpk= 4129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2=2088,2089,2090,
 &end
#
#    0 AMB  20-2:4130    70 PRO  HA          5.00    (#   4130:20  Single Ambig)
 &rst
  ixpk= 4130, nxpk= 20, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1149,1150,1118,1119,
 &end
#
#   71 ARG  HN           71 ARG  HG+         5.00    (#   4131:20  Unique         3.38, 4.18 A)
 &rst
  ixpk= 4131, nxpk= 20, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1152,1153,
 &end
#
#   71 ARG  HN           71 ARG  HG-         5.00    (#   4132:20  Unique         3.38, 4.18 A)
 &rst
  ixpk= 4132, nxpk= 20, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1152,1153,
 &end
#
#   14 LYS  HN            0 AMB  20-1:4135   6.00    (#   4135:20  Single Ambig)
 &rst
  ixpk= 4135, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1135,1136,1135,1136,
 &end
#
#   79 GLY  HN           78 PRO  HD-         5.00    (#   4136:20  Unique         2.63, 3.42 A)
 &rst
  ixpk= 4136, nxpk= 20, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1251,1252,
 &end
#
#   79 GLY  HN           78 PRO  HD+         6.00    (#   4137:20  Unique         2.63, 3.42 A)
 &rst
  ixpk= 4137, nxpk= 20, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1251,1252,
 &end
#
#   77 ASP  HN           78 PRO  HD+         5.00    (#   4138:20  Unique         4.06, 4.58 A)
 &rst
  ixpk= 4138, nxpk= 20, iat=1238,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1251,1252,
 &end
#
#   81 ILE  HN           81 ILE  HA          4.00    (#   4140:20  Unique         2.65, 2.77 A)
 &rst
  ixpk= 4140, nxpk= 20, iat=1293,1295, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 ILE  HG1-         81 ILE  HB          5.00    (#   4142:20  Unique         2.47, 2.82 A)
 &rst
  ixpk= 4142, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1303,1304,
 &end
#
#   76 LEU  HN           81 ILE  QD1         6.00    (#   4143:20  Unique         2.56, 4.26 A)
 &rst
  ixpk= 4143, nxpk= 20, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1306,1307,1308,
 &end
#
#    0 AMB  20-2:4145    82 LYS  HA          5.00    (#   4145:20  Single Ambig)
 &rst
  ixpk= 4145, nxpk= 20, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1363, 293,
 &end
#
#  138 LYS  HN          138 LYS  HG+         4.00    (#   4146:20  Unique         1.83, 2.64 A)
 &rst
  ixpk= 4146, nxpk= 20, iat=2167,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2174,2175,
 &end
#
#   83 GLU  HN           82 LYS  HD+         5.00    (#   4147:20  Unique         1.93, 5.01 A)
 &rst
  ixpk= 4147, nxpk= 20, iat=1334,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1322,1323,
 &end
#
#   85 ALA  HN           84 THR  HB          4.00    (#   4149:20  Unique         2.48, 2.81 A)
 &rst
  ixpk= 4149, nxpk= 20, iat=1363,1353, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   39 ILE  QG2          84 THR  HB          4.00    (#   4150:20  Unique         2.84, 4.23 A)
 &rst
  ixpk= 4150, nxpk= 20, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 641, 642, 643,
 &end
#
#   85 ALA  HN           84 THR  MG2         6.00    (#   4151:20  Unique         2.44, 3.87 A)
 &rst
  ixpk= 4151, nxpk= 20, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1355,1356,1357,
 &end
#
#   84 THR  HN           84 THR  MG2         5.00    (#   4152:20  Unique         3.97, 4.33 A)
 &rst
  ixpk= 4152, nxpk= 20, iat=1349,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1355,1356,1357,
 &end
#
#   87 GLU  HN           84 THR  MG2         6.00    (#   4153:20  Unique         4.46, 5.46 A)
 &rst
  ixpk= 4153, nxpk= 20, iat=1383,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1355,1356,1357,
 &end
#
#   86 ALA  HN           85 ALA  HA          6.00    (#   4155:20  Unique         3.51, 3.56 A)
 &rst
  ixpk= 4155, nxpk= 20, iat=1373,1365, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 ILE  HN           85 ALA  HA          5.00    (#   4156:20  Unique         4.80, 5.06 A)
 &rst
  ixpk= 4156, nxpk= 20, iat=1427,1365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   86 ALA  HN           85 ALA  MB          3.00    (#   4157:20  Unique         2.59, 3.63 A)
 &rst
  ixpk= 4157, nxpk= 20, iat=1373,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1367,1368,1369,
 &end
#
#    0 AMB  20-2:4158    86 ALA  MB          5.00    (#   4158:20  Single Ambig)
 &rst
  ixpk= 4158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1363, 293,
 igr2=1377,1378,1379,
 &end
#
#  133 MET  HA          133 MET  ME          5.00    (#   4159:20  Unique         1.93, 4.06 A)
 &rst
  ixpk= 4159, nxpk= 20, iat=2079,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=2088,2089,2090,
 &end
#
#   50 GLN  HA          133 MET  ME          6.00    (#   4160:20  Unique         4.69, 6.22 A)
 &rst
  ixpk= 4160, nxpk= 20, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=2088,2089,2090,
 &end
#
#   90 ILE  HN           90 ILE  HG1+        6.00    (#   4161:20  Unique         1.79, 2.54 A)
 &rst
  ixpk= 4161, nxpk= 20, iat=1427,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1437,1438,
 &end
#
#   92 GLN  HN           92 GLN  HG-         6.00    (#   4162:20  Unique         1.59, 2.92 A)
 &rst
  ixpk= 4162, nxpk= 20, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1467,1468,
 &end
#
#   92 GLN  HN           92 GLN  HG+         4.00    (#   4163:20  Unique         1.59, 2.92 A)
 &rst
  ixpk= 4163, nxpk= 20, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1467,1468,
 &end
#
#   92 GLN  HE2+         92 GLN  HG-         5.00    (#   4164:20  Unique         2.10, 3.25 A)
 &rst
  ixpk= 4164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1472,1473,
 igr2=1467,1468,
 &end
#
#   92 GLN  HE2+         92 GLN  HG+         6.00    (#   4165:20  Unique         2.10, 3.25 A)
 &rst
  ixpk= 4165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1472,1473,
 igr2=1467,1468,
 &end
#
#   94 ILE  HG1+         94 ILE  HA          4.00    (#   4167:20  Unique         2.43, 2.99 A)
 &rst
  ixpk= 4167, nxpk= 20, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1501,1502,
 &end
#
#   94 ILE  HA           94 ILE  QD1         6.00    (#   4168:20  Unique         3.93, 4.67 A)
 &rst
  ixpk= 4168, nxpk= 20, iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1504,1505,1506,
 &end
#
#   98 SER  HN           97 ASP  HA          4.00    (#   4169:20  Unique         2.25, 2.46 A)
 &rst
  ixpk= 4169, nxpk= 20, iat=1558,1548, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 ASP  HB+          97 ASP  HA          6.00    (#   4170:20  Unique         2.27, 2.76 A)
 &rst
  ixpk= 4170, nxpk= 20, iat=  -1,1548, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1550,1551,
 &end
#
#   68 HIS  HN           97 ASP  HA          6.00    (#   4171:20  Unique         6.49, 7.03 A)
 &rst
  ixpk= 4171, nxpk= 20, iat=1097,1548, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:4172     0 AMB  20-1:4172   5.00    (#   4172:20  Double Ambig)
 &rst
  ixpk= 4172, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1645,1646, 885, 886,
 igr2=1600, 834,
 &end
#
#  103 THR  HN          100 HIS  HA          6.00    (#   4173:20  Unique         4.06, 4.31 A)
 &rst
  ixpk= 4173, nxpk= 20, iat=1627,1583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  100 HIS  HB+         100 HIS  HA          4.00    (#   4174:20  Unique         2.54, 2.83 A)
 &rst
  ixpk= 4174, nxpk= 20, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1585,1586,
 &end
#
#  100 HIS  HN          100 HIS  HB+         4.00    (#   4175:20  Unique         3.28, 3.72 A)
 &rst
  ixpk= 4175, nxpk= 20, iat=1581,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1585,1586,
 &end
#
#    0 AMB  20-2:4176   100 HIS  HB-         6.00    (#   4176:20  Single Ambig)
 &rst
  ixpk= 4176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1581,1698,
 igr2=1585,1586,
 &end
#
#    0 AMB  20-2:4177     0 AMB  20-1:4177   5.00    (#   4177:20  Double Ambig)
 &rst
  ixpk= 4177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1460,1608,1617,1618,1619,1621,1622,1623,
 igr2= 834,1600,
 &end
#
#  101 ALA  MB          101 ALA  HA          3.00    (#   4178:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 4178, nxpk= 20, iat=  -1,1600, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1602,1603,1604,
 &end
#
#    0 AMB  20-2:4179   102 LEU  HA          5.00    (#   4179:20  Single Ambig)
 &rst
  ixpk= 4179, nxpk= 20, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1617,1618,1619,1621,1622,1623,1608,
 &end
#
#    0 AMB  20-2:4180   102 LEU  HB-         5.00    (#   4180:20  Single Ambig)
 &rst
  ixpk= 4180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1=1608,1617,1618,1619,1621,1622,1623,
 igr2=1612,1613,
 &end
#
#    0 AMB  20-2:4181     0 AMB  20-1:4181   5.00    (#   4181:20  Double Ambig)
 &rst
  ixpk= 4181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.71, r4= 9.21,
 igr1=1608,1617,1618,1619,1621,1622,1623,
 igr2=1612,1613,1612,1613,
 &end
#
#  102 LEU  HG          102 LEU  HB+         4.00    (#   4182:20  Unique         2.24, 2.69 A)
 &rst
  ixpk= 4182, nxpk= 20, iat=1615,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1612,1613,
 &end
#
#    9 GLU  HN          102 LEU  MDX         5.00    (#   4185:20  Unique         1.93, 4.17 A)
 &rst
  ixpk= 4185, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#   67 VAL  MGY         102 LEU  MDY         4.00    (#   4186:20  Unique         2.08, 5.95 A)
 &rst
  ixpk= 4186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1087,1088,1089,1091,1092,1093,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#  102 LEU  HB-         102 LEU  MDY         4.00    (#   4187:20  Unique         2.00, 3.35 A)
 &rst
  ixpk= 4187, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1612,1613,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  20-2:4188     0 AMB  20-1:4188   3.00    (#   4188:20  Double Ambig)
 &rst
  ixpk= 4188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 832,1427,
 igr2= 834,1375,
 &end
#
#  102 LEU  HA          105 ALA  MB          3.00    (#   4189:20  Unique         2.54, 3.70 A)
 &rst
  ixpk= 4189, nxpk= 20, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1657,1658,1659,
 &end
#
#  106 PHE  HN          106 PHE  HA          4.00    (#   4190:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 4190, nxpk= 20, iat=1663,1665, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  106 PHE  HN          106 PHE  HB+         4.00    (#   4192:20  Unique         2.04, 2.92 A)
 &rst
  ixpk= 4192, nxpk= 20, iat=1663,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1667,1668,
 &end
#
#    0 AMB  20-2:4193   106 PHE  HB-         5.00    (#   4193:20  Single Ambig)
 &rst
  ixpk= 4193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1665,   6,
 igr2=1667,1668,
 &end
#
#  109 GLU  HN          109 GLU  HA          6.00    (#   4195:20  Unique         2.17, 2.75 A)
 &rst
  ixpk= 4195, nxpk= 20, iat=1712,1714, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  109 GLU  HN          109 GLU  HB-         5.00    (#   4196:20  Unique         2.25, 3.18 A)
 &rst
  ixpk= 4196, nxpk= 20, iat=1712,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1716,1717,
 &end
#
#  113 ALA  HN          111 VAL  HA          5.00    (#   4197:20  Unique         2.64, 2.97 A)
 &rst
  ixpk= 4197, nxpk= 20, iat=1778,1750, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  111 VAL  MGY         111 VAL  HA          4.00    (#   4198:20  Unique         2.17, 3.35 A)
 &rst
  ixpk= 4198, nxpk= 20, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1754,1755,1756,1758,1759,1760,
 &end
#
#  111 VAL  MGY           0 AMB  20-1:4199   3.00    (#   4199:20  Single Ambig)
 &rst
  ixpk= 4199, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1754,1755,1756,1758,1759,1760,
 igr2=1752,1771,1772,
 &end
#
#   33 LEU  MDY         114 TYR  HA          5.00    (#   4200:20  Unique         2.97, 5.13 A)
 &rst
  ixpk= 4200, nxpk= 20, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#  116 VAL  HB          116 VAL  HA          5.00    (#   4201:20  Unique         2.73, 2.93 A)
 &rst
  ixpk= 4201, nxpk= 20, iat=1834,1832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:4202   116 VAL  HB          5.00    (#   4202:20  Single Ambig)
 &rst
  ixpk= 4202, nxpk= 20, iat=  -1,1834, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1832,1811,
 &end
#
#  116 VAL  HN          116 VAL  MGY         4.00    (#   4203:20  Unique         2.22, 4.04 A)
 &rst
  ixpk= 4203, nxpk= 20, iat=1830,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1836,1837,1838,1840,1841,1842,
 &end
#
#  117 PHE  HN            0 AMB  20-1:4204   4.00    (#   4204:20  Single Ambig)
 &rst
  ixpk= 4204, nxpk= 20, iat=1846,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1836,1837,1838,1840,1841,1842,1836,1837,1838,1840,
      1841,1842,
 &end
#
#  119 LYS  HN          118 ASP  HB+         5.00    (#   4206:20  Unique         2.28, 3.23 A)
 &rst
  ixpk= 4206, nxpk= 20, iat=1878,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1870,1871,
 &end
#
#  120 THR  HN          119 LYS  HA          4.00    (#   4207:20  Unique         2.85, 3.23 A)
 &rst
  ixpk= 4207, nxpk= 20, iat=1900,1880, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  119 LYS  HN          119 LYS  HB-         5.00    (#   4208:20  Unique         2.06, 2.96 A)
 &rst
  ixpk= 4208, nxpk= 20, iat=1878,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1882,1883,
 &end
#
#  119 LYS  HN          119 LYS  HG+         5.00    (#   4209:20  Unique         1.94, 2.79 A)
 &rst
  ixpk= 4209, nxpk= 20, iat=1878,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1885,1886,
 &end
#
#  119 LYS  HN          119 LYS  HG-         5.00    (#   4210:20  Unique         1.94, 2.79 A)
 &rst
  ixpk= 4210, nxpk= 20, iat=1878,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1885,1886,
 &end
#
#  120 THR  HN          119 LYS  HG+         5.00    (#   4211:20  Unique         2.61, 3.93 A)
 &rst
  ixpk= 4211, nxpk= 20, iat=1900,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1885,1886,
 &end
#
#  121 GLY  HN          120 THR  HA          5.00    (#   4213:20  Unique         3.09, 3.29 A)
 &rst
  ixpk= 4213, nxpk= 20, iat=1914,1902, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  121 GLY  HN          120 THR  MG2         4.00    (#   4214:20  Unique         2.19, 4.14 A)
 &rst
  ixpk= 4214, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1906,1907,1908,
 &end
#
#  122 GLN  HG-         122 GLN  HA          5.00    (#   4215:20  Unique         2.32, 3.15 A)
 &rst
  ixpk= 4215, nxpk= 20, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1928,1929,
 &end
#
#  123 LEU  HN          123 LEU  HA          5.00    (#   4216:20  Unique         2.79, 2.83 A)
 &rst
  ixpk= 4216, nxpk= 20, iat=1938,1940, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  123 LEU  HB+         123 LEU  HA          4.00    (#   4218:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 4218, nxpk= 20, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1942,1943,
 &end
#
#  123 LEU  MDX         123 LEU  HA          4.00    (#   4219:20  Unique         1.96, 3.67 A)
 &rst
  ixpk= 4219, nxpk= 20, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1947,1948,1949,1951,1952,1953,
 &end
#
#  123 LEU  HN          123 LEU  HB+         5.00    (#   4220:20  Unique         2.31, 2.46 A)
 &rst
  ixpk= 4220, nxpk= 20, iat=1938,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1942,1943,
 &end
#
#  123 LEU  HN          123 LEU  MDY         6.00    (#   4221:20  Unique         4.21, 5.10 A)
 &rst
  ixpk= 4221, nxpk= 20, iat=1938,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1947,1948,1949,1951,1952,1953,
 &end
#
#   35 HIS  HN           35 HIS  HB+         6.00    (#   4222:20  Unique         2.78, 3.55 A)
 &rst
  ixpk= 4222, nxpk= 20, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 567, 568,
 &end
#
#    0 AMB  20-2:4223     0 AMB  20-1:4223   6.00    (#   4223:20  Double Ambig)
 &rst
  ixpk= 4223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 816,2133,
 igr2=2084,2085,2120,2121,
 &end
#
#    0 AMB  20-2:4224     0 AMB  20-1:4224   5.00    (#   4224:20  Double Ambig)
 &rst
  ixpk= 4224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  98,  99,2116,
 igr2=  11,  12,2120,2121,
 &end
#
#  135 MET  HN          135 MET  HB+         5.00    (#   4225:20  Unique         2.16, 2.95 A)
 &rst
  ixpk= 4225, nxpk= 20, iat=2116,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2120,2121,
 &end
#
#  136 LEU  HN          135 MET  HB+         6.00    (#   4226:20  Unique         2.11, 3.63 A)
 &rst
  ixpk= 4226, nxpk= 20, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2120,2121,
 &end
#
#  139 ARG  HN          136 LEU  HA          5.00    (#   4227:20  Unique         2.55, 2.76 A)
 &rst
  ixpk= 4227, nxpk= 20, iat=2189,2135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  136 LEU  HA          136 LEU  HB-         5.00    (#   4228:20  Unique         2.26, 2.77 A)
 &rst
  ixpk= 4228, nxpk= 20, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2137,2138,
 &end
#
#  136 LEU  HA          136 LEU  HB+         5.00    (#   4229:20  Unique         2.26, 2.77 A)
 &rst
  ixpk= 4229, nxpk= 20, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2137,2138,
 &end
#
#  136 LEU  HN          136 LEU  MDX         5.00    (#   4230:20  Unique         2.49, 5.04 A)
 &rst
  ixpk= 4230, nxpk= 20, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2142,2143,2144,2146,2147,2148,
 &end
#
#  139 ARG  HN          138 LYS  HA          4.00    (#   4231:20  Unique         3.56, 3.58 A)
 &rst
  ixpk= 4231, nxpk= 20, iat=2189,2169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  139 ARG  HN          139 ARG  HB-         4.00    (#   4232:20  Unique         2.03, 2.79 A)
 &rst
  ixpk= 4232, nxpk= 20, iat=2189,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2193,2194,
 &end
#
#  140 VAL  HN          139 ARG  HB-         6.00    (#   4233:20  Unique         2.58, 3.42 A)
 &rst
  ixpk= 4233, nxpk= 20, iat=2213,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2193,2194,
 &end
#
#  140 VAL  HN          139 ARG  HB+         6.00    (#   4234:20  Unique         2.58, 3.42 A)
 &rst
  ixpk= 4234, nxpk= 20, iat=2213,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2193,2194,
 &end
#
#  139 ARG  HG-         139 ARG  HB-         4.00    (#   4235:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 4235, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2196,2197,
 igr2=2193,2194,
 &end
#
#  139 ARG  HN          139 ARG  HD-         5.00    (#   4236:20  Unique         2.70, 4.59 A)
 &rst
  ixpk= 4236, nxpk= 20, iat=2189,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2199,2200,
 &end
#
#  139 ARG  HN          139 ARG  HD+         5.00    (#   4237:20  Unique         2.70, 4.59 A)
 &rst
  ixpk= 4237, nxpk= 20, iat=2189,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2199,2200,
 &end
#
#    0 AMB  20-2:4238   140 VAL  MGY         4.00    (#   4238:20  Single Ambig)
 &rst
  ixpk= 4238, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=2238,2239, 869, 877,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#   58 TYR  HD          140 VAL  MGY         6.00    (#   4239:20  Unique         2.39, 4.73 A)
 &rst
  ixpk= 4239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 947, 956,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  141 ASN  HA          140 VAL  MGY         5.00    (#   4240:20  Unique         3.07, 5.26 A)
 &rst
  ixpk= 4240, nxpk= 20, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  142 ARG  HN          141 ASN  HA          4.00    (#   4241:20  Unique         3.39, 3.50 A)
 &rst
  ixpk= 4241, nxpk= 20, iat=2243,2231, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  143 VAL  HN          142 ARG  HA          4.00    (#   4242:20  Unique         3.62, 3.65 A)
 &rst
  ixpk= 4242, nxpk= 20, iat=2267,2245, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  144 LEU  HN          143 VAL  MGY         4.00    (#   4243:20  Unique         1.94, 4.11 A)
 &rst
  ixpk= 4243, nxpk= 20, iat=2283,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#  143 VAL  HN          143 VAL  MGY         3.00    (#   4244:20  Unique         2.01, 3.77 A)
 &rst
  ixpk= 4244, nxpk= 20, iat=2267,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#  143 VAL  HA          143 VAL  MGY         3.00    (#   4245:20  Unique         2.09, 3.39 A)
 &rst
  ixpk= 4245, nxpk= 20, iat=2269,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2273,2274,2275,2277,2278,2279,
 &end
#
#  147 THR  HN          145 ALA  HA          6.00    (#   4247:20  Unique         4.36, 4.93 A)
 &rst
  ixpk= 4247, nxpk= 20, iat=2327,2304, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:4248     0 AMB  20-1:4248   6.00    (#   4248:20  Double Ambig)
 &rst
  ixpk= 4248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 293,1363,
 igr2= 278, 279, 278, 279,
 &end
#
#    2 LYS  HN            1 MET  HB+         6.00    (#   4249:20  Unique         2.56, 3.70 A)
 &rst
  ixpk= 4249, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=   8,   9,
 &end
#
#    0 AMB  20-2:4250    27 ILE  HG1-        6.00    (#   4250:20  Single Ambig)
 &rst
  ixpk= 4250, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 453, 460,
 igr2= 444, 445,
 &end
#
#    0 AMB  20-2:4251     0 AMB  20-1:4251   5.00    (#   4251:20  Double Ambig)
 &rst
  ixpk= 4251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 453, 460,
 igr2= 444, 445, 444, 445,
 &end
#
#   44 CYSS HN           43 LEU  HA          5.00    (#   4252:20  Unique         3.42, 3.52 A)
 &rst
  ixpk= 4252, nxpk= 20, iat= 711, 694, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:4253     0 AMB  20-1:4253   5.00    (#   4253:20  Double Ambig)
 &rst
  ixpk= 4253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1034,1035, 434,
 igr2= 419, 420, 419, 420,
 &end
#
#   26 LEU  HN           26 LEU  HB+         5.00    (#   4254:20  Unique         2.42, 3.41 A)
 &rst
  ixpk= 4254, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 419, 420,
 &end
#
#   26 LEU  HN           26 LEU  HG          4.00    (#   4255:20  Unique         1.98, 2.53 A)
 &rst
  ixpk= 4255, nxpk= 20, iat= 415, 422, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 ILE  HN           26 LEU  HG          6.00    (#   4256:20  Unique         2.50, 3.57 A)
 &rst
  ixpk= 4256, nxpk= 20, iat= 434, 422, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:4257    26 LEU  MDY         4.00    (#   4257:20  Single Ambig)
 &rst
  ixpk= 4257, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1034,1035, 434,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:4258    26 LEU  MDY         6.00    (#   4258:20  Single Ambig)
 &rst
  ixpk= 4258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 398, 345,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#  139 ARG  HN          139 ARG  HG-         4.00    (#   4259:20  Unique         1.98, 3.45 A)
 &rst
  ixpk= 4259, nxpk= 20, iat=2189,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2196,2197,
 &end
#
#   94 ILE  HN           17 LEU  MDX         6.00    (#   4260:20  Unique         3.81, 6.33 A)
 &rst
  ixpk= 4260, nxpk= 20, iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#    0 AMB  20-2:4261    17 LEU  MDX         6.00    (#   4261:20  Single Ambig)
 &rst
  ixpk= 4261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 293,1363,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#   81 ILE  HN           17 LEU  MDX         6.00    (#   4262:20  Unique         4.85, 7.09 A)
 &rst
  ixpk= 4262, nxpk= 20, iat=1293,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#  108 ASN  HD2+         69 MET  ME          5.00    (#   4264:20  Unique         1.87, 3.41 A)
 &rst
  ixpk= 4264, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1707,1708,
 igr2=1125,1126,1127,
 &end
#
#   10 LEU  MDY          10 LEU  HB-         5.00    (#   4265:20  Unique         1.98, 3.46 A)
 &rst
  ixpk= 4265, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 172, 173, 174, 176, 177, 178,
 igr2= 167, 168,
 &end
#
#   10 LEU  HN           10 LEU  MDX         6.00    (#   4266:20  Unique         1.94, 3.82 A)
 &rst
  ixpk= 4266, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   90 ILE  QD1          88 HIS  HB-         5.00    (#   4268:20  Unique         1.93, 4.53 A)
 &rst
  ixpk= 4268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1440,1441,1442,
 igr2=1402,1403,
 &end
#
#   90 ILE  QD1          88 HIS  HB+         5.00    (#   4269:20  Unique         1.93, 4.53 A)
 &rst
  ixpk= 4269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1440,1441,1442,
 igr2=1402,1403,
 &end
#
#   88 HIS  HN           88 HIS  HB-         4.00    (#   4270:20  Unique         2.21, 2.94 A)
 &rst
  ixpk= 4270, nxpk= 20, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1402,1403,
 &end
#
#   88 HIS  HN           88 HIS  HB+         4.00    (#   4271:20  Unique         2.21, 2.94 A)
 &rst
  ixpk= 4271, nxpk= 20, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1402,1403,
 &end
#
#   34 ILE  HN           34 ILE  HG1+        6.00    (#   4272:20  Unique         1.93, 2.95 A)
 &rst
  ixpk= 4272, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 554, 555,
 &end
#
#   65 VAL  HN           34 ILE  HG1+        6.00    (#   4273:20  Unique         3.76, 4.73 A)
 &rst
  ixpk= 4273, nxpk= 20, iat=1055,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 554, 555,
 &end
#
#  108 ASN  HD2-        108 ASN  HB-         6.00    (#   4274:20  Unique         2.15, 3.55 A)
 &rst
  ixpk= 4274, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1707,1708,
 igr2=1702,1703,
 &end
#
#  108 ASN  HA          108 ASN  HB+         6.00    (#   4275:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 4275, nxpk= 20, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1702,1703,
 &end
#
#  108 ASN  HA          108 ASN  HB-         5.00    (#   4276:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 4276, nxpk= 20, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1702,1703,
 &end
#
#  102 LEU  HA            8 PRO  HG+         5.00    (#   4277:20  Unique         2.50, 3.40 A)
 &rst
  ixpk= 4277, nxpk= 20, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 138, 139,
 &end
#
#   76 LEU  HA           76 LEU  MDX         4.00    (#   4279:20  Unique         2.32, 4.10 A)
 &rst
  ixpk= 4279, nxpk= 20, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1228,1229,1230,1232,1233,1234,
 &end
#
#   45 LYS  HB+          43 LEU  MDY         5.00    (#   4280:20  Unique         6.05, 8.69 A)
 &rst
  ixpk= 4280, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 725, 726,
 igr2= 701, 702, 703, 705, 706, 707,
 &end
#
#   46 GLU  HG+          43 LEU  MDY         4.00    (#   4281:20  Unique         2.62, 5.79 A)
 &rst
  ixpk= 4281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 750, 751,
 igr2= 701, 702, 703, 705, 706, 707,
 &end
#
#    0 AMB  20-2:4283   135 MET  ME          6.00    (#   4283:20  Single Ambig)
 &rst
  ixpk= 4283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=2063,2064,2191,
 igr2=2127,2128,2129,
 &end
#
#  136 LEU  HB-         133 MET  ME          3.00    (#   4285:20  Unique         1.94, 3.64 A)
 &rst
  ixpk= 4285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2137,2138,
 igr2=2088,2089,2090,
 &end
#
#  114 TYR  HD          114 TYR  HA          5.00    (#   4286:20  Unique         3.58, 4.05 A)
 &rst
  ixpk= 4286, nxpk= 20, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1796,1805,
 &end
#
#  135 MET  HN          135 MET  ME          6.00    (#   4289:20  Unique         1.91, 4.67 A)
 &rst
  ixpk= 4289, nxpk= 20, iat=2116,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=2127,2128,2129,
 &end
#
#  141 ASN  HN          137 GLU  HA          6.00    (#   4291:20  Unique         4.52, 4.93 A)
 &rst
  ixpk= 4291, nxpk= 20, iat=2229,2154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  140 VAL  HN          137 GLU  HA          4.00    (#   4292:20  Unique         3.43, 3.73 A)
 &rst
  ixpk= 4292, nxpk= 20, iat=2213,2154, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  140 VAL  MGY         137 GLU  HA          5.00    (#   4293:20  Unique         1.93, 4.50 A)
 &rst
  ixpk= 4293, nxpk= 20, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  20-2:4294     0 AMB  20-1:4294   6.00    (#   4294:20  Double Ambig)
 &rst
  ixpk= 4294, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1=2127,2128,2129, 747, 748,
 igr2=2054,2055,2072,2073,
 &end
#
#   49 PRO  HG-         132 GLY  HA+         6.00    (#   4295:20  Unique         4.55, 6.51 A)
 &rst
  ixpk= 4295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 789, 790,
 igr2=2072,2073,
 &end
#
#   43 LEU  HN           43 LEU  MDY         6.00    (#   4298:20  Unique         2.00, 4.13 A)
 &rst
  ixpk= 4298, nxpk= 20, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 701, 702, 703, 705, 706, 707,
 &end
#
#    0 AMB  20-2:4299    43 LEU  MDY         4.00    (#   4299:20  Single Ambig)
 &rst
  ixpk= 4299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=2054,2055,2072,2073,
 igr2= 701, 702, 703, 705, 706, 707,
 &end
#
#    0 AMB  20-2:4302   135 MET  HA          4.00    (#   4302:20  Single Ambig)
 &rst
  ixpk= 4302, nxpk= 20, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=2159,2160,2127,2128,2129,
 &end
#
#    0 AMB  20-2:4304     0 AMB  20-1:4304   3.00    (#   4304:20  Double Ambig)
 &rst
  ixpk= 4304, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=   8,   9,2081,2082,
 igr2=  11,  12,2084,2085,
 &end
#
#    0 AMB  20-2:4305     0 AMB  20-1:4305   3.00    (#   4305:20  Double Ambig)
 &rst
  ixpk= 4305, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=   8,   9,2081,2082,
 igr2=  11,  12,2084,2085,
 &end
#
#   96 VAL  MGX          70 PRO  HD-         4.00    (#   4308:20  Unique         2.79, 6.93 A)
 &rst
  ixpk= 4308, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1536,1537,1538,1540,1541,1542,
 igr2=1132,1133,
 &end
#
#    4 ARG  HG+           4 ARG  HD-         3.00    (#   4309:20  Unique         2.29, 2.76 A)
 &rst
  ixpk= 4309, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  69,  70,
 igr2=  72,  73,
 &end
#
#   71 ARG  HG-          71 ARG  HD-         3.00    (#   4310:20  Unique         2.27, 2.74 A)
 &rst
  ixpk= 4310, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1152,1153,
 igr2=1155,1156,
 &end
#
#   47 ALA  HN           46 GLU  HG-         6.00    (#   4312:20  Unique         4.14, 4.65 A)
 &rst
  ixpk= 4312, nxpk= 20, iat= 758,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 750, 751,
 &end
#
#  147 THR  MG2          31 PRO  HD-         6.00    (#   4313:20  Unique         2.97, 5.72 A)
 &rst
  ixpk= 4313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2333,2334,2335,
 igr2= 498, 499,
 &end
#
#  119 LYS  HB-          31 PRO  HD-         6.00    (#   4314:20  Unique         2.16, 4.15 A)
 &rst
  ixpk= 4314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1882,1883,
 igr2= 498, 499,
 &end
#
#    8 PRO  HG-           0 AMB  20-1:4315   3.00    (#   4315:20  Single Ambig)
 &rst
  ixpk= 4315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 138, 139,
 igr2=  15,  16,  17,1657,1658,1659,
 &end
#
#   71 ARG  HN           71 ARG  HD-         6.00    (#   4316:20  Unique         4.23, 4.95 A)
 &rst
  ixpk= 4316, nxpk= 20, iat=1145,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1155,1156,
 &end
#
#    0 AMB  20-2:4317    30 LYS  HA          4.00    (#   4317:20  Single Ambig)
 &rst
  ixpk= 4317, nxpk= 20, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1882,1883, 482, 483,
 &end
#
#   59 GLN  HE2-         59 GLN  HG+         5.00    (#   4318:20  Unique         2.34, 3.51 A)
 &rst
  ixpk= 4318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 972, 973,
 igr2= 967, 968,
 &end
#
#   59 GLN  HE2-         59 GLN  HG-         5.00    (#   4319:20  Unique         2.34, 3.51 A)
 &rst
  ixpk= 4319, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 972, 973,
 igr2= 967, 968,
 &end
#
#    0 AMB  20-2:4320     0 AMB  20-1:4320   4.00    (#   4320:20  Double Ambig)
 &rst
  ixpk= 4320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2231,1880,
 igr2=2217,2345,2346,
 &end
#
#   70 PRO  HD-          70 PRO  HG-         3.00    (#   4321:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1132,1133,
 igr2=1135,1136,
 &end
#
#    0 AMB  20-2:4322     0 AMB  20-1:4322   5.00    (#   4322:20  Double Ambig)
 &rst
  ixpk= 4322, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 383,1349,
 igr2= 361,1314,
 &end
#
#    0 AMB  20-2:4323     8 PRO  HG-         5.00    (#   4323:20  Single Ambig)
 &rst
  ixpk= 4323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 119, 104, 105,
 igr2= 138, 139,
 &end
#
#  136 LEU  HN          136 LEU  HG          6.00    (#   4324:20  Unique         3.23, 4.36 A)
 &rst
  ixpk= 4324, nxpk= 20, iat=2133,2140, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  136 LEU  HA          136 LEU  HG          5.00    (#   4325:20  Unique         2.41, 3.39 A)
 &rst
  ixpk= 4325, nxpk= 20, iat=2135,2140, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 TRP  HN           68 HIS  HA          5.00    (#   4326:20  Unique         2.83, 3.31 A)
 &rst
  ixpk= 4326, nxpk= 20, iat= 600,1099, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:4328     0 AMB  20-1:4328   3.00    (#   4328:20  Double Ambig)
 &rst
  ixpk= 4328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 658, 659,1173,1174,
 igr2= 656,1171,
 &end
#
#   30 LYS  HA           31 PRO  HD-         3.00    (#   4329:20  Unique         1.97, 2.45 A)
 &rst
  ixpk= 4329, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 498, 499,
 &end
#
#   21 VAL  HA           21 VAL  MGY         5.00    (#   4330:20  Unique         2.08, 3.46 A)
 &rst
  ixpk= 4330, nxpk= 20, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  20-2:4335     0 AMB  20-1:4335   4.00    (#   4335:20  Double Ambig)
 &rst
  ixpk= 4335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=  72,  73,  72,  73,
 igr2=  66,  67,  66,  67,
 &end
#
#    0 AMB  20-2:4340   126 PHE  HB-         6.00    (#   4340:20  Single Ambig)
 &rst
  ixpk= 4340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1942,1943,2039,2040,2041,
 igr2=2002,2003,
 &end
#
#   43 LEU  HN           43 LEU  HB+         6.00    (#   4341:20  Unique         1.98, 2.82 A)
 &rst
  ixpk= 4341, nxpk= 20, iat= 692,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 696, 697,
 &end
#
#    0 AMB  20-2:4342     0 AMB  20-1:4342   5.00    (#   4342:20  Double Ambig)
 &rst
  ixpk= 4342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 711,2052,
 igr2= 696, 697, 696, 697,
 &end
#
#   36 PHE  HN           36 PHE  HB+         5.00    (#   4344:20  Unique         1.96, 2.61 A)
 &rst
  ixpk= 4344, nxpk= 20, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 584, 585,
 &end
#
#   36 PHE  HN           36 PHE  HB-         5.00    (#   4345:20  Unique         1.96, 2.61 A)
 &rst
  ixpk= 4345, nxpk= 20, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 584, 585,
 &end
#
#    0 AMB  20-2:4346    95 PHE  HA          6.00    (#   4346:20  Single Ambig)
 &rst
  ixpk= 4346, nxpk= 20, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1514,1515, 254, 255,
 &end
#
#    0 AMB  20-2:4347    95 PHE  HA          5.00    (#   4347:20  Single Ambig)
 &rst
  ixpk= 4347, nxpk= 20, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1514,1515, 278, 279,
 &end
#
#  103 THR  MG2         100 HIS  HB-         5.00    (#   4348:20  Unique         1.82, 3.20 A)
 &rst
  ixpk= 4348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1633,1634,1635,
 igr2=1585,1586,
 &end
#
#  103 THR  MG2         100 HIS  HB+         5.00    (#   4349:20  Unique         1.82, 3.20 A)
 &rst
  ixpk= 4349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1633,1634,1635,
 igr2=1585,1586,
 &end
# 2355 atoms read from pdb file prm1.pdb.
# 2 LYS PHI:  (1 MET C)-(2 LYS N)-(2 LYS CA)-(2 LYS C) -142.0 -82.0
 &rst     iat =    18,    20,    22,    40,
	  r1 = -143.0, r2 = -142.0, r3 = -82.0, r4 = -81.0,
	  rk2 =   2.0, rk3 =   2.0,				&end

# 2 LYS PSI:  (2 LYS N)-(2 LYS CA)-(2 LYS C)-(3 LEU N) 118.0 178.0
 &rst     iat =    20,    22,    40,    42,
	  r1 = 117.0, r2 = 118.0, r3 = 178.0, r4 = 179.0,
	&end

# 11 THR PHI:  (10 LEU C)-(11 THR N)-(11 THR CA)-(11 THR C) -142.0 -82.0
 &rst     iat =   179,   181,   183,   193,
	  r1 = -143.0, r2 = -142.0, r3 = -82.0, r4 = -81.0,
	&end

# 11 THR PSI:  (11 THR N)-(11 THR CA)-(11 THR C)-(12 GLY N) 109.0 169.0
 &rst     iat =   181,   183,   193,   195,
	  r1 = 108.0, r2 = 109.0, r3 = 169.0, r4 = 170.0,
	&end

# 16 TRP PHI:  (15 ALA C)-(16 TRP N)-(16 TRP CA)-(16 TRP C) -134.0 -74.0
 &rst     iat =   247,   249,   251,   271,
	  r1 = -135.0, r2 = -134.0, r3 = -74.0, r4 = -73.0,
	&end

# 16 TRP PSI:  (16 TRP N)-(16 TRP CA)-(16 TRP C)-(17 LEU N) 103.0 163.0
 &rst     iat =   249,   251,   271,   273,
	  r1 = 102.0, r2 = 103.0, r3 = 163.0, r4 = 164.0,
	&end

# 21 VAL PHI:  (20 GLU C)-(21 VAL N)-(21 VAL CA)-(21 VAL C) -169.0 -109.0
 &rst     iat =   326,   328,   330,   342,
	  r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
	&end

# 21 VAL PSI:  (21 VAL N)-(21 VAL CA)-(21 VAL C)-(22 THR N) 127.0 187.0
 &rst     iat =   328,   330,   342,   344,
	  r1 = 126.0, r2 = 127.0, r3 = 187.0, r4 = 188.0,
	&end

# 22 THR PHI:  (21 VAL C)-(22 THR N)-(22 THR CA)-(22 THR C) -134.0 -74.0
 &rst     iat =   342,   344,   346,   356,
	  r1 = -135.0, r2 = -134.0, r3 = -74.0, r4 = -73.0,
	&end

# 22 THR PSI:  (22 THR N)-(22 THR CA)-(22 THR C)-(23 ARG N) 130.0 190.0
 &rst     iat =   344,   346,   356,   358,
	  r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
	&end

# 23 ARG PHI:  (22 THR C)-(23 ARG N)-(23 ARG CA)-(23 ARG C) -92.0 -32.0
 &rst     iat =   356,   358,   360,   380,
	  r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
	&end

# 23 ARG PSI:  (23 ARG N)-(23 ARG CA)-(23 ARG C)-(24 GLU N) -66.0  -6.0
 &rst     iat =   358,   360,   380,   382,
	  r1 = -67.0, r2 = -66.0, r3 =  -6.0, r4 =  -5.0,
	&end

# 24 GLU PHI:  (23 ARG C)-(24 GLU N)-(24 GLU CA)-(24 GLU C) -97.0 -37.0
 &rst     iat =   380,   382,   384,   395,
	  r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
	&end

# 24 GLU PSI:  (24 GLU N)-(24 GLU CA)-(24 GLU C)-(25 GLN N) -63.0  -3.0
 &rst     iat =   382,   384,   395,   397,
	  r1 = -64.0, r2 = -63.0, r3 =  -3.0, r4 =  -2.0,
	&end

# 30 LYS PHI:  (29 GLU C)-(30 LYS N)-(30 LYS CA)-(30 LYS C) -149.0 -89.0
 &rst     iat =   472,   474,   476,   494,
	  r1 = -150.0, r2 = -149.0, r3 = -89.0, r4 = -88.0,
	&end

# 30 LYS PSI:  (30 LYS N)-(30 LYS CA)-(30 LYS C)-(31 PRO N) 103.0 163.0
 &rst     iat =   474,   476,   494,   496,
	  r1 = 102.0, r2 = 103.0, r3 = 163.0, r4 = 164.0,
	&end

# 32 THR PHI:  (31 PRO C)-(32 THR N)-(32 THR CA)-(32 THR C) -138.0 -78.0
 &rst     iat =   508,   510,   512,   522,
	  r1 = -139.0, r2 = -138.0, r3 = -78.0, r4 = -77.0,
	&end

# 32 THR PSI:  (32 THR N)-(32 THR CA)-(32 THR C)-(33 LEU N)  99.0 159.0
 &rst     iat =   510,   512,   522,   524,
	  r1 =  98.0, r2 =  99.0, r3 = 159.0, r4 = 160.0,
	&end

# 33 LEU PHI:  (32 THR C)-(33 LEU N)-(33 LEU CA)-(33 LEU C) -150.0 -90.0
 &rst     iat =   522,   524,   526,   541,
	  r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
	&end

# 33 LEU PSI:  (33 LEU N)-(33 LEU CA)-(33 LEU C)-(34 ILE N)  97.0 157.0
 &rst     iat =   524,   526,   541,   543,
	  r1 =  96.0, r2 =  97.0, r3 = 157.0, r4 = 158.0,
	&end

# 34 ILE PHI:  (33 LEU C)-(34 ILE N)-(34 ILE CA)-(34 ILE C) -143.0 -83.0
 &rst     iat =   541,   543,   545,   560,
	  r1 = -144.0, r2 = -143.0, r3 = -83.0, r4 = -82.0,
	&end

# 34 ILE PSI:  (34 ILE N)-(34 ILE CA)-(34 ILE C)-(35 HIS N)  99.0 159.0
 &rst     iat =   543,   545,   560,   562,
	  r1 =  98.0, r2 =  99.0, r3 = 159.0, r4 = 160.0,
	&end

# 35 HIS PHI:  (34 ILE C)-(35 HIS N)-(35 HIS CA)-(35 HIS C) -155.9 -95.9
 &rst     iat =   560,   562,   564,   577,
	  r1 = -156.9, r2 = -155.9, r3 = -95.9, r4 = -94.9,
	&end

# 35 HIS PSI:  (35 HIS N)-(35 HIS CA)-(35 HIS C)-(36 PHE N) 112.4 172.4
 &rst     iat =   562,   564,   577,   579,
	  r1 = 111.4, r2 = 112.4, r3 = 172.4, r4 = 173.4,
	&end

# 36 PHE PHI:  (35 HIS C)-(36 PHE N)-(36 PHE CA)-(36 PHE C) -141.6 -81.5
 &rst     iat =   577,   579,   581,   597,
	  r1 = -142.6, r2 = -141.6, r3 = -81.5, r4 = -80.5,
	&end

# 36 PHE PSI:  (36 PHE N)-(36 PHE CA)-(36 PHE C)-(37 TRP N) 110.3 170.3
 &rst     iat =   579,   581,   597,   599,
	  r1 = 109.3, r2 = 110.3, r3 = 170.3, r4 = 171.3,
	&end

# 37 TRP PHI:  (36 PHE C)-(37 TRP N)-(37 TRP CA)-(37 TRP C) -145.0 -85.0
 &rst     iat =   597,   599,   601,   621,
	  r1 = -146.0, r2 = -145.0, r3 = -85.0, r4 = -84.0,
	&end

# 37 TRP PSI:  (37 TRP N)-(37 TRP CA)-(37 TRP C)-(38 SER N) 127.0 187.0
 &rst     iat =   599,   601,   621,   623,
	  r1 = 126.0, r2 = 127.0, r3 = 187.0, r4 = 188.0,
	&end

# 39 ILE PHI:  (38 SER C)-(39 ILE N)-(39 ILE CA)-(39 ILE C) -94.0 -34.0
 &rst     iat =   632,   634,   636,   651,
	  r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
	&end

# 39 ILE PSI:  (39 ILE N)-(39 ILE CA)-(39 ILE C)-(40 SER N) -63.0  -3.0
 &rst     iat =   634,   636,   651,   653,
	  r1 = -64.0, r2 = -63.0, r3 =  -3.0, r4 =  -2.0,
	&end

# 40 SER PHI:  (39 ILE C)-(40 SER N)-(40 SER CA)-(40 SER C) -130.0 -70.0
 &rst     iat =   651,   653,   655,   662,
	  r1 = -131.0, r2 = -130.0, r3 = -70.0, r4 = -69.0,
	&end

# 40 SER PSI:  (40 SER N)-(40 SER CA)-(40 SER C)-(41 CYS N) -25.0  35.0
 &rst     iat =   653,   655,   662,   664,
	  r1 = -26.0, r2 = -25.0, r3 =  35.0, r4 =  36.0,
	&end

# 42 HIS PHI:  (41 CYS C)-(42 HIS N)-(42 HIS CA)-(42 HIS C) -94.0 -34.0
 &rst     iat =   672,   674,   676,   689,
	  r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
	&end

# 42 HIS PSI:  (42 HIS N)-(42 HIS CA)-(42 HIS C)-(43 LEU N) -68.0  -8.0
 &rst     iat =   674,   676,   689,   691,
	  r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
	&end

# 43 LEU PHI:  (42 HIS C)-(43 LEU N)-(43 LEU CA)-(43 LEU C) -94.0 -34.0
 &rst     iat =   689,   691,   693,   708,
	  r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
	&end

# 43 LEU PSI:  (43 LEU N)-(43 LEU CA)-(43 LEU C)-(44 CYS N) -70.0 -10.0
 &rst     iat =   691,   693,   708,   710,
	  r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
	&end

# 44 CYS PHI:  (43 LEU C)-(44 CYS N)-(44 CYS CA)-(44 CYS C) -96.0 -36.0
 &rst     iat =   708,   710,   712,   718,
	  r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
	&end

# 44 CYS PSI:  (44 CYS N)-(44 CYS CA)-(44 CYS C)-(45 LYS N) -71.0 -11.0
 &rst     iat =   710,   712,   718,   720,
	  r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
	&end

# 45 LYS PHI:  (44 CYS C)-(45 LYS N)-(45 LYS CA)-(45 LYS C) -97.0 -37.0
 &rst     iat =   718,   720,   722,   740,
	  r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
	&end

# 45 LYS PSI:  (45 LYS N)-(45 LYS CA)-(45 LYS C)-(46 GLU N) -68.0  -8.0
 &rst     iat =   720,   722,   740,   742,
	  r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
	&end

# 46 GLU PHI:  (45 LYS C)-(46 GLU N)-(46 GLU CA)-(46 GLU C) -95.0 -35.0
 &rst     iat =   740,   742,   744,   755,
	  r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
	&end

# 46 GLU PSI:  (46 GLU N)-(46 GLU CA)-(46 GLU C)-(47 ALA N) -62.0  -2.0
 &rst     iat =   742,   744,   755,   757,
	  r1 = -63.0, r2 = -62.0, r3 =  -2.0, r4 =  -1.0,
	&end

# 47 ALA PHI:  (46 GLU C)-(47 ALA N)-(47 ALA CA)-(47 ALA C) -129.0 -69.0
 &rst     iat =   755,   757,   759,   765,
	  r1 = -130.0, r2 = -129.0, r3 = -69.0, r4 = -68.0,
	&end

# 47 ALA PSI:  (47 ALA N)-(47 ALA CA)-(47 ALA C)-(48 MET N) -29.0  31.0
 &rst     iat =   757,   759,   765,   767,
	  r1 = -30.0, r2 = -29.0, r3 =  31.0, r4 =  32.0,
	&end

# 50 GLN PHI:  (49 PRO C)-(50 GLN N)-(50 GLN CA)-(50 GLN C) -97.0 -37.0
 &rst     iat =   796,   798,   800,   813,
	  r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
	&end

# 50 GLN PSI:  (50 GLN N)-(50 GLN CA)-(50 GLN C)-(51 VAL N) -71.0 -11.0
 &rst     iat =   798,   800,   813,   815,
	  r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
	&end

# 51 VAL PHI:  (50 GLN C)-(51 VAL N)-(51 VAL CA)-(51 VAL C) -98.0 -38.0
 &rst     iat =   813,   815,   817,   829,
	  r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
	&end

# 51 VAL PSI:  (51 VAL N)-(51 VAL CA)-(51 VAL C)-(52 ASN N) -68.0  -8.0
 &rst     iat =   815,   817,   829,   831,
	  r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
	&end

# 52 ASN PHI:  (51 VAL C)-(52 ASN N)-(52 ASN CA)-(52 ASN C) -95.0 -35.0
 &rst     iat =   829,   831,   833,   843,
	  r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
	&end

# 52 ASN PSI:  (52 ASN N)-(52 ASN CA)-(52 ASN C)-(53 GLU N) -65.0  -5.0
 &rst     iat =   831,   833,   843,   845,
	  r1 = -66.0, r2 = -65.0, r3 =  -5.0, r4 =  -4.0,
	&end

# 53 GLU PHI:  (52 ASN C)-(53 GLU N)-(53 GLU CA)-(53 GLU C) -95.0 -35.0
 &rst     iat =   843,   845,   847,   858,
	  r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
	&end

# 53 GLU PSI:  (53 GLU N)-(53 GLU CA)-(53 GLU C)-(54 PHE N) -73.0 -13.0
 &rst     iat =   845,   847,   858,   860,
	  r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
	&end

# 54 PHE PHI:  (53 GLU C)-(54 PHE N)-(54 PHE CA)-(54 PHE C) -93.0 -33.0
 &rst     iat =   858,   860,   862,   878,
	  r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
	&end

# 54 PHE PSI:  (54 PHE N)-(54 PHE CA)-(54 PHE C)-(55 ARG N) -69.0  -9.0
 &rst     iat =   860,   862,   878,   880,
	  r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
	&end

# 55 ARG PHI:  (54 PHE C)-(55 ARG N)-(55 ARG CA)-(55 ARG C) -96.0 -36.0
 &rst     iat =   878,   880,   882,   902,
	  r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
	&end

# 55 ARG PSI:  (55 ARG N)-(55 ARG CA)-(55 ARG C)-(56 ASP N) -69.0  -9.0
 &rst     iat =   880,   882,   902,   904,
	  r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
	&end

# 56 ASP PHI:  (55 ARG C)-(56 ASP N)-(56 ASP CA)-(56 ASP C) -91.0 -31.0
 &rst     iat =   902,   904,   906,   914,
	  r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
	&end

# 56 ASP PSI:  (56 ASP N)-(56 ASP CA)-(56 ASP C)-(57 LYS N) -72.0 -12.0
 &rst     iat =   904,   906,   914,   916,
	  r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
	&end

# 57 LYS PHI:  (56 ASP C)-(57 LYS N)-(57 LYS CA)-(57 LYS C) -97.0 -37.0
 &rst     iat =   914,   916,   918,   936,
	  r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
	&end

# 57 LYS PSI:  (57 LYS N)-(57 LYS CA)-(57 LYS C)-(58 TYR N) -65.0  -5.0
 &rst     iat =   916,   918,   936,   938,
	  r1 = -66.0, r2 = -65.0, r3 =  -5.0, r4 =  -4.0,
	&end

# 58 TYR PHI:  (57 LYS C)-(58 TYR N)-(58 TYR CA)-(58 TYR C) -128.0 -68.0
 &rst     iat =   936,   938,   940,   957,
	  r1 = -129.0, r2 = -128.0, r3 = -68.0, r4 = -67.0,
	&end

# 58 TYR PSI:  (58 TYR N)-(58 TYR CA)-(58 TYR C)-(59 GLN N) -25.0  35.0
 &rst     iat =   938,   940,   957,   959,
	  r1 = -26.0, r2 = -25.0, r3 =  35.0, r4 =  36.0,
	&end

# 62 LEU PHI:  (61 GLN C)-(62 LEU N)-(62 LEU CA)-(62 LEU C) -161.0 -101.0
 &rst     iat =  1003,  1005,  1007,  1022,
	  r1 = -162.0, r2 = -161.0, r3 = -101.0, r4 = -100.0,
	&end

# 62 LEU PSI:  (62 LEU N)-(62 LEU CA)-(62 LEU C)-(63 ASN N) 102.0 162.0
 &rst     iat =  1005,  1007,  1022,  1024,
	  r1 = 101.0, r2 = 102.0, r3 = 162.0, r4 = 163.0,
	&end

# 64 VAL PHI:  (63 ASN C)-(64 VAL N)-(64 VAL CA)-(64 VAL C) -142.0 -82.0
 &rst     iat =  1036,  1038,  1040,  1052,
	  r1 = -143.0, r2 = -142.0, r3 = -82.0, r4 = -81.0,
	&end

# 64 VAL PSI:  (64 VAL N)-(64 VAL CA)-(64 VAL C)-(65 VAL N) 106.0 166.0
 &rst     iat =  1038,  1040,  1052,  1054,
	  r1 = 105.0, r2 = 106.0, r3 = 166.0, r4 = 167.0,
	&end

# 65 VAL PHI:  (64 VAL C)-(65 VAL N)-(65 VAL CA)-(65 VAL C) -168.0 -108.0
 &rst     iat =  1052,  1054,  1056,  1068,
	  r1 = -169.0, r2 = -168.0, r3 = -108.0, r4 = -107.0,
	&end

# 65 VAL PSI:  (65 VAL N)-(65 VAL CA)-(65 VAL C)-(66 ALA N) 114.0 174.0
 &rst     iat =  1054,  1056,  1068,  1070,
	  r1 = 113.0, r2 = 114.0, r3 = 174.0, r4 = 175.0,
	&end

# 67 VAL PHI:  (66 ALA C)-(67 VAL N)-(67 VAL CA)-(67 VAL C) -136.0 -76.0
 &rst     iat =  1078,  1080,  1082,  1094,
	  r1 = -137.0, r2 = -136.0, r3 = -76.0, r4 = -75.0,
	&end

# 67 VAL PSI:  (67 VAL N)-(67 VAL CA)-(67 VAL C)-(68 HIS N)  89.0 149.0
 &rst     iat =  1080,  1082,  1094,  1096,
	  r1 =  88.0, r2 =  89.0, r3 = 149.0, r4 = 150.0,
	&end

# 68 HIS PHI:  (67 VAL C)-(68 HIS N)-(68 HIS CA)-(68 HIS C) -112.0 -52.0
 &rst     iat =  1094,  1096,  1098,  1111,
	  r1 = -113.0, r2 = -112.0, r3 = -52.0, r4 = -51.0,
	&end

# 68 HIS PSI:  (68 HIS N)-(68 HIS CA)-(68 HIS C)-(69 MET N) 101.0 161.0
 &rst     iat =  1096,  1098,  1111,  1113,
	  r1 = 100.0, r2 = 101.0, r3 = 161.0, r4 = 162.0,
	&end

# 69 MET PHI:  (68 HIS C)-(69 MET N)-(69 MET CA)-(69 MET C) -137.0 -77.0
 &rst     iat =  1111,  1113,  1115,  1128,
	  r1 = -138.0, r2 = -137.0, r3 = -77.0, r4 = -76.0,
	&end

# 69 MET PSI:  (69 MET N)-(69 MET CA)-(69 MET C)-(70 PRO N) 107.0 167.0
 &rst     iat =  1113,  1115,  1128,  1130,
	  r1 = 106.0, r2 = 107.0, r3 = 167.0, r4 = 168.0,
	&end

# 72 SER PHI:  (71 ARG C)-(72 SER N)-(72 SER CA)-(72 SER C) -144.0 -84.0
 &rst     iat =  1166,  1168,  1170,  1177,
	  r1 = -145.0, r2 = -144.0, r3 = -84.0, r4 = -83.0,
	&end

# 72 SER PSI:  (72 SER N)-(72 SER CA)-(72 SER C)-(73 GLU N) 126.0 186.0
 &rst     iat =  1168,  1170,  1177,  1179,
	  r1 = 125.0, r2 = 126.0, r3 = 186.0, r4 = 187.0,
	&end

# 75 ASP PHI:  (74 ASP C)-(75 ASP N)-(75 ASP CA)-(75 ASP C) -128.0 -68.0
 &rst     iat =  1204,  1206,  1208,  1216,
	  r1 = -129.0, r2 = -128.0, r3 = -68.0, r4 = -67.0,
	&end

# 75 ASP PSI:  (75 ASP N)-(75 ASP CA)-(75 ASP C)-(76 LEU N) -31.0  29.0
 &rst     iat =  1206,  1208,  1216,  1218,
	  r1 = -32.0, r2 = -31.0, r3 =  29.0, r4 =  30.0,
	&end

# 77 ASP PHI:  (76 LEU C)-(77 ASP N)-(77 ASP CA)-(77 ASP C) -117.0 -57.0
 &rst     iat =  1235,  1237,  1239,  1247,
	  r1 = -118.0, r2 = -117.0, r3 = -57.0, r4 = -56.0,
	&end

# 77 ASP PSI:  (77 ASP N)-(77 ASP CA)-(77 ASP C)-(78 PRO N) 111.0 171.0
 &rst     iat =  1237,  1239,  1247,  1249,
	  r1 = 110.0, r2 = 111.0, r3 = 171.0, r4 = 172.0,
	&end

# 79 GLY PHI:  (78 PRO C)-(79 GLY N)-(79 GLY CA)-(79 GLY C) -94.0 -34.0
 &rst     iat =  1261,  1263,  1265,  1268,
	  r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
	&end

# 79 GLY PSI:  (79 GLY N)-(79 GLY CA)-(79 GLY C)-(80 LYS N) -71.0 -11.0
 &rst     iat =  1263,  1265,  1268,  1270,
	  r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
	&end

# 80 LYS PHI:  (79 GLY C)-(80 LYS N)-(80 LYS CA)-(80 LYS C) -94.0 -34.0
 &rst     iat =  1268,  1270,  1272,  1290,
	  r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
	&end

# 80 LYS PSI:  (80 LYS N)-(80 LYS CA)-(80 LYS C)-(81 ILE N) -69.0  -9.0
 &rst     iat =  1270,  1272,  1290,  1292,
	  r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
	&end

# 81 ILE PHI:  (80 LYS C)-(81 ILE N)-(81 ILE CA)-(81 ILE C) -94.9 -34.9
 &rst     iat =  1290,  1292,  1294,  1309,
	  r1 = -95.9, r2 = -94.9, r3 = -34.9, r4 = -33.9,
	&end

# 81 ILE PSI:  (81 ILE N)-(81 ILE CA)-(81 ILE C)-(82 LYS N) -71.2 -11.2
 &rst     iat =  1292,  1294,  1309,  1311,
	  r1 = -72.2, r2 = -71.2, r3 = -11.2, r4 = -10.2,
	&end

# 82 LYS PHI:  (81 ILE C)-(82 LYS N)-(82 LYS CA)-(82 LYS C) -94.2 -34.2
 &rst     iat =  1309,  1311,  1313,  1331,
	  r1 = -95.2, r2 = -94.2, r3 = -34.2, r4 = -33.2,
	&end

# 82 LYS PSI:  (82 LYS N)-(82 LYS CA)-(82 LYS C)-(83 GLU N) -66.7  -6.6
 &rst     iat =  1311,  1313,  1331,  1333,
	  r1 = -67.7, r2 = -66.7, r3 =  -6.6, r4 =  -5.6,
	&end

# 83 GLU PHI:  (82 LYS C)-(83 GLU N)-(83 GLU CA)-(83 GLU C) -92.8 -32.8
 &rst     iat =  1331,  1333,  1335,  1346,
	  r1 = -93.8, r2 = -92.8, r3 = -32.8, r4 = -31.8,
	&end

# 83 GLU PSI:  (83 GLU N)-(83 GLU CA)-(83 GLU C)-(84 THR N) -71.4 -11.4
 &rst     iat =  1333,  1335,  1346,  1348,
	  r1 = -72.4, r2 = -71.4, r3 = -11.4, r4 = -10.4,
	&end

# 84 THR PHI:  (83 GLU C)-(84 THR N)-(84 THR CA)-(84 THR C) -101.0 -41.0
 &rst     iat =  1346,  1348,  1350,  1360,
	  r1 = -102.0, r2 = -101.0, r3 = -41.0, r4 = -40.0,
	&end

# 84 THR PSI:  (84 THR N)-(84 THR CA)-(84 THR C)-(85 ALA N) -69.3  -9.3
 &rst     iat =  1348,  1350,  1360,  1362,
	  r1 = -70.3, r2 = -69.3, r3 =  -9.3, r4 =  -8.3,
	&end

# 85 ALA PHI:  (84 THR C)-(85 ALA N)-(85 ALA CA)-(85 ALA C) -94.3 -34.3
 &rst     iat =  1360,  1362,  1364,  1370,
	  r1 = -95.3, r2 = -94.3, r3 = -34.3, r4 = -33.3,
	&end

# 85 ALA PSI:  (85 ALA N)-(85 ALA CA)-(85 ALA C)-(86 ALA N) -72.6 -12.6
 &rst     iat =  1362,  1364,  1370,  1372,
	  r1 = -73.6, r2 = -72.6, r3 = -12.6, r4 = -11.6,
	&end

# 86 ALA PHI:  (85 ALA C)-(86 ALA N)-(86 ALA CA)-(86 ALA C) -90.2 -30.2
 &rst     iat =  1370,  1372,  1374,  1380,
	  r1 = -91.2, r2 = -90.2, r3 = -30.2, r4 = -29.2,
	&end

# 86 ALA PSI:  (86 ALA N)-(86 ALA CA)-(86 ALA C)-(87 GLU N) -70.6 -10.6
 &rst     iat =  1372,  1374,  1380,  1382,
	  r1 = -71.6, r2 = -70.6, r3 = -10.6, r4 =  -9.6,
	&end

# 87 GLU PHI:  (86 ALA C)-(87 GLU N)-(87 GLU CA)-(87 GLU C) -100.0 -40.0
 &rst     iat =  1380,  1382,  1384,  1395,
	  r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
	&end

# 87 GLU PSI:  (87 GLU N)-(87 GLU CA)-(87 GLU C)-(88 HIS N) -56.7   3.3
 &rst     iat =  1382,  1384,  1395,  1397,
	  r1 = -57.7, r2 = -56.7, r3 =   3.3, r4 =   4.3,
	&end

# 94 ILE PHI:  (93 PRO C)-(94 ILE N)-(94 ILE CA)-(94 ILE C) -156.0 -96.0
 &rst     iat =  1488,  1490,  1492,  1507,
	  r1 = -157.0, r2 = -156.0, r3 = -96.0, r4 = -95.0,
	&end

# 94 ILE PSI:  (94 ILE N)-(94 ILE CA)-(94 ILE C)-(95 PHE N) 104.0 164.0
 &rst     iat =  1490,  1492,  1507,  1509,
	  r1 = 103.0, r2 = 104.0, r3 = 164.0, r4 = 165.0,
	&end

# 101 ALA PHI:  (100 HIS C)-(101 ALA N)-(101 ALA CA)-(101 ALA C) -95.0 -35.0
 &rst     iat =  1595,  1597,  1599,  1605,
	  r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
	&end

# 101 ALA PSI:  (101 ALA N)-(101 ALA CA)-(101 ALA C)-(102 LEU N) -71.0 -11.0
 &rst     iat =  1597,  1599,  1605,  1607,
	  r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
	&end

# 102 LEU PHI:  (101 ALA C)-(102 LEU N)-(102 LEU CA)-(102 LEU C) -94.0 -34.0
 &rst     iat =  1605,  1607,  1609,  1624,
	  r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
	&end

# 102 LEU PSI:  (102 LEU N)-(102 LEU CA)-(102 LEU C)-(103 THR N) -69.0  -9.0
 &rst     iat =  1607,  1609,  1624,  1626,
	  r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
	&end

# 103 THR PHI:  (102 LEU C)-(103 THR N)-(103 THR CA)-(103 THR C) -95.0 -35.0
 &rst     iat =  1624,  1626,  1628,  1638,
	  r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
	&end

# 103 THR PSI:  (103 THR N)-(103 THR CA)-(103 THR C)-(104 ASP N) -72.0 -12.0
 &rst     iat =  1626,  1628,  1638,  1640,
	  r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
	&end

# 104 ASP PHI:  (103 THR C)-(104 ASP N)-(104 ASP CA)-(104 ASP C) -94.0 -34.0
 &rst     iat =  1638,  1640,  1642,  1650,
	  r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
	&end

# 104 ASP PSI:  (104 ASP N)-(104 ASP CA)-(104 ASP C)-(105 ALA N) -67.0  -7.0
 &rst     iat =  1640,  1642,  1650,  1652,
	  r1 = -68.0, r2 = -67.0, r3 =  -7.0, r4 =  -6.0,
	&end

# 105 ALA PHI:  (104 ASP C)-(105 ALA N)-(105 ALA CA)-(105 ALA C) -99.0 -39.0
 &rst     iat =  1650,  1652,  1654,  1660,
	  r1 = -100.0, r2 = -99.0, r3 = -39.0, r4 = -38.0,
	&end

# 105 ALA PSI:  (105 ALA N)-(105 ALA CA)-(105 ALA C)-(106 PHE N) -57.0   3.0
 &rst     iat =  1652,  1654,  1660,  1662,
	  r1 = -58.0, r2 = -57.0, r3 =   3.0, r4 =   4.0,
	&end

# 106 PHE PHI:  (105 ALA C)-(106 PHE N)-(106 PHE CA)-(106 PHE C) -116.0 -56.0
 &rst     iat =  1660,  1662,  1664,  1680,
	  r1 = -117.0, r2 = -116.0, r3 = -56.0, r4 = -55.0,
	&end

# 106 PHE PSI:  (106 PHE N)-(106 PHE CA)-(106 PHE C)-(107 GLU N) -39.0  21.0
 &rst     iat =  1662,  1664,  1680,  1682,
	  r1 = -40.0, r2 = -39.0, r3 =  21.0, r4 =  22.0,
	&end

# 110 TYR PHI:  (109 GLU C)-(110 TYR N)-(110 TYR CA)-(110 TYR C) -147.0 -87.0
 &rst     iat =  1724,  1726,  1728,  1745,
	  r1 = -148.0, r2 = -147.0, r3 = -87.0, r4 = -86.0,
	&end

# 110 TYR PSI:  (110 TYR N)-(110 TYR CA)-(110 TYR C)-(111 VAL N) 120.0 180.0
 &rst     iat =  1726,  1728,  1745,  1747,
	  r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
	&end

# 111 VAL PHI:  (110 TYR C)-(111 VAL N)-(111 VAL CA)-(111 VAL C) -155.0 -95.0
 &rst     iat =  1745,  1747,  1749,  1761,
	  r1 = -156.0, r2 = -155.0, r3 = -95.0, r4 = -94.0,
	&end

# 111 VAL PSI:  (111 VAL N)-(111 VAL CA)-(111 VAL C)-(112 PRO N) 113.0 173.0
 &rst     iat =  1747,  1749,  1761,  1763,
	  r1 = 112.0, r2 = 113.0, r3 = 173.0, r4 = 174.0,
	&end

# 114 TYR PHI:  (113 ALA C)-(114 TYR N)-(114 TYR CA)-(114 TYR C) -159.0 -99.0
 &rst     iat =  1785,  1787,  1789,  1806,
	  r1 = -160.0, r2 = -159.0, r3 = -99.0, r4 = -98.0,
	&end

# 114 TYR PSI:  (114 TYR N)-(114 TYR CA)-(114 TYR C)-(115 TYR N) 102.0 162.0
 &rst     iat =  1787,  1789,  1806,  1808,
	  r1 = 101.0, r2 = 102.0, r3 = 162.0, r4 = 163.0,
	&end

# 115 TYR PHI:  (114 TYR C)-(115 TYR N)-(115 TYR CA)-(115 TYR C) -148.7 -88.7
 &rst     iat =  1806,  1808,  1810,  1827,
	  r1 = -149.7, r2 = -148.7, r3 = -88.7, r4 = -87.7,
	&end

# 115 TYR PSI:  (115 TYR N)-(115 TYR CA)-(115 TYR C)-(116 VAL N) 105.2 165.2
 &rst     iat =  1808,  1810,  1827,  1829,
	  r1 = 104.2, r2 = 105.2, r3 = 165.2, r4 = 166.2,
	&end

# 116 VAL PHI:  (115 TYR C)-(116 VAL N)-(116 VAL CA)-(116 VAL C) -142.0 -82.0
 &rst     iat =  1827,  1829,  1831,  1843,
	  r1 = -143.0, r2 = -142.0, r3 = -82.0, r4 = -81.0,
	&end

# 116 VAL PSI:  (116 VAL N)-(116 VAL CA)-(116 VAL C)-(117 PHE N)  94.0 154.0
 &rst     iat =  1829,  1831,  1843,  1845,
	  r1 =  93.0, r2 =  94.0, r3 = 154.0, r4 = 155.0,
	&end

# 117 PHE PHI:  (116 VAL C)-(117 PHE N)-(117 PHE CA)-(117 PHE C) -140.0 -80.0
 &rst     iat =  1843,  1845,  1847,  1863,
	  r1 = -141.0, r2 = -140.0, r3 = -80.0, r4 = -79.0,
	&end

# 117 PHE PSI:  (117 PHE N)-(117 PHE CA)-(117 PHE C)-(118 ASP N) 107.0 167.0
 &rst     iat =  1845,  1847,  1863,  1865,
	  r1 = 106.0, r2 = 107.0, r3 = 167.0, r4 = 168.0,
	&end

# 120 THR PHI:  (119 LYS C)-(120 THR N)-(120 THR CA)-(120 THR C) -133.1 -73.1
 &rst     iat =  1897,  1899,  1901,  1911,
	  r1 = -134.1, r2 = -133.1, r3 = -73.1, r4 = -72.1,
	&end

# 120 THR PSI:  (120 THR N)-(120 THR CA)-(120 THR C)-(121 GLY N) -18.2  41.8
 &rst     iat =  1899,  1901,  1911,  1913,
	  r1 = -19.2, r2 = -18.2, r3 =  41.8, r4 =  42.8,
	&end

# 122 GLN PHI:  (121 GLY C)-(122 GLN N)-(122 GLN CA)-(122 GLN C) -135.7 -75.7
 &rst     iat =  1918,  1920,  1922,  1935,
	  r1 = -136.7, r2 = -135.7, r3 = -75.7, r4 = -74.7,
	&end

# 122 GLN PSI:  (122 GLN N)-(122 GLN CA)-(122 GLN C)-(123 LEU N) 109.0 169.0
 &rst     iat =  1920,  1922,  1935,  1937,
	  r1 = 108.0, r2 = 109.0, r3 = 169.0, r4 = 170.0,
	&end

# 123 LEU PHI:  (122 GLN C)-(123 LEU N)-(123 LEU CA)-(123 LEU C) -94.3 -34.3
 &rst     iat =  1935,  1937,  1939,  1954,
	  r1 = -95.3, r2 = -94.3, r3 = -34.3, r4 = -33.3,
	&end

# 123 LEU PSI:  (123 LEU N)-(123 LEU CA)-(123 LEU C)-(124 ARG N) 107.4 167.4
 &rst     iat =  1937,  1939,  1954,  1956,
	  r1 = 106.4, r2 = 107.4, r3 = 167.4, r4 = 168.4,
	&end

# 127 GLN PHI:  (126 PHE C)-(127 GLN N)-(127 GLN CA)-(127 GLN C) -164.2 -104.2
 &rst     iat =  2015,  2017,  2019,  2032,
	  r1 = -165.2, r2 = -164.2, r3 = -104.2, r4 = -103.2,
	&end

# 127 GLN PSI:  (127 GLN N)-(127 GLN CA)-(127 GLN C)-(128 ALA N) 120.2 180.2
 &rst     iat =  2017,  2019,  2032,  2034,
	  r1 = 119.2, r2 = 120.2, r3 = 180.2, r4 = 181.2,
	&end

# 128 ALA PHI:  (127 GLN C)-(128 ALA N)-(128 ALA CA)-(128 ALA C) -147.6 -87.5
 &rst     iat =  2032,  2034,  2036,  2042,
	  r1 = -148.6, r2 = -147.6, r3 = -87.5, r4 = -86.5,
	&end

# 128 ALA PSI:  (128 ALA N)-(128 ALA CA)-(128 ALA C)-(129 GLY N) 110.5 170.5
 &rst     iat =  2034,  2036,  2042,  2044,
	  r1 = 109.5, r2 = 110.5, r3 = 170.5, r4 = 171.5,
	&end

# 135 MET PHI:  (134 LYS C)-(135 MET N)-(135 MET CA)-(135 MET C) -96.0 -36.0
 &rst     iat =  2113,  2115,  2117,  2130,
	  r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
	&end

# 135 MET PSI:  (135 MET N)-(135 MET CA)-(135 MET C)-(136 LEU N) -67.0  -7.0
 &rst     iat =  2115,  2117,  2130,  2132,
	  r1 = -68.0, r2 = -67.0, r3 =  -7.0, r4 =  -6.0,
	&end

# 136 LEU PHI:  (135 MET C)-(136 LEU N)-(136 LEU CA)-(136 LEU C) -98.0 -38.0
 &rst     iat =  2130,  2132,  2134,  2149,
	  r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
	&end

# 136 LEU PSI:  (136 LEU N)-(136 LEU CA)-(136 LEU C)-(137 GLU N) -68.0  -8.0
 &rst     iat =  2132,  2134,  2149,  2151,
	  r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
	&end

# 137 GLU PHI:  (136 LEU C)-(137 GLU N)-(137 GLU CA)-(137 GLU C) -98.2 -38.2
 &rst     iat =  2149,  2151,  2153,  2164,
	  r1 = -99.2, r2 = -98.2, r3 = -38.2, r4 = -37.2,
	&end

# 137 GLU PSI:  (137 GLU N)-(137 GLU CA)-(137 GLU C)-(138 LYS N) -72.2 -12.2
 &rst     iat =  2151,  2153,  2164,  2166,
	  r1 = -73.2, r2 = -72.2, r3 = -12.2, r4 = -11.2,
	&end

# 138 LYS PHI:  (137 GLU C)-(138 LYS N)-(138 LYS CA)-(138 LYS C) -95.2 -35.2
 &rst     iat =  2164,  2166,  2168,  2186,
	  r1 = -96.2, r2 = -95.2, r3 = -35.2, r4 = -34.2,
	&end

# 138 LYS PSI:  (138 LYS N)-(138 LYS CA)-(138 LYS C)-(139 ARG N) -66.6  -6.6
 &rst     iat =  2166,  2168,  2186,  2188,
	  r1 = -67.6, r2 = -66.6, r3 =  -6.6, r4 =  -5.6,
	&end

# 139 ARG PHI:  (138 LYS C)-(139 ARG N)-(139 ARG CA)-(139 ARG C) -96.8 -36.8
 &rst     iat =  2186,  2188,  2190,  2210,
	  r1 = -97.8, r2 = -96.8, r3 = -36.8, r4 = -35.8,
	&end

# 139 ARG PSI:  (139 ARG N)-(139 ARG CA)-(139 ARG C)-(140 VAL N) -68.3  -8.3
 &rst     iat =  2188,  2190,  2210,  2212,
	  r1 = -69.3, r2 = -68.3, r3 =  -8.3, r4 =  -7.3,
	&end

# 140 VAL PHI:  (139 ARG C)-(140 VAL N)-(140 VAL CA)-(140 VAL C) -98.3 -38.3
 &rst     iat =  2210,  2212,  2214,  2226,
	  r1 = -99.3, r2 = -98.3, r3 = -38.3, r4 = -37.3,
	&end

# 140 VAL PSI:  (140 VAL N)-(140 VAL CA)-(140 VAL C)-(141 ASN N) -71.1 -11.1
 &rst     iat =  2212,  2214,  2226,  2228,
	  r1 = -72.1, r2 = -71.1, r3 = -11.1, r4 = -10.1,
	&end

# 141 ASN PHI:  (140 VAL C)-(141 ASN N)-(141 ASN CA)-(141 ASN C) -90.6 -30.6
 &rst     iat =  2226,  2228,  2230,  2240,
	  r1 = -91.6, r2 = -90.6, r3 = -30.6, r4 = -29.6,
	&end

# 141 ASN PSI:  (141 ASN N)-(141 ASN CA)-(141 ASN C)-(142 ARG N) -69.7  -9.7
 &rst     iat =  2228,  2230,  2240,  2242,
	  r1 = -70.7, r2 = -69.7, r3 =  -9.7, r4 =  -8.7,
	&end

# 142 ARG PHI:  (141 ASN C)-(142 ARG N)-(142 ARG CA)-(142 ARG C) -96.9 -36.9
 &rst     iat =  2240,  2242,  2244,  2264,
	  r1 = -97.9, r2 = -96.9, r3 = -36.9, r4 = -35.9,
	&end

# 142 ARG PSI:  (142 ARG N)-(142 ARG CA)-(142 ARG C)-(143 VAL N) -70.6 -10.6
 &rst     iat =  2242,  2244,  2264,  2266,
	  r1 = -71.6, r2 = -70.6, r3 = -10.6, r4 =  -9.6,
	&end

# 143 VAL PHI:  (142 ARG C)-(143 VAL N)-(143 VAL CA)-(143 VAL C) -95.5 -35.5
 &rst     iat =  2264,  2266,  2268,  2280,
	  r1 = -96.5, r2 = -95.5, r3 = -35.5, r4 = -34.5,
	&end

# 143 VAL PSI:  (143 VAL N)-(143 VAL CA)-(143 VAL C)-(144 LEU N) -69.4  -9.4
 &rst     iat =  2266,  2268,  2280,  2282,
	  r1 = -70.4, r2 = -69.4, r3 =  -9.4, r4 =  -8.4,
	&end

# 144 LEU PHI:  (143 VAL C)-(144 LEU N)-(144 LEU CA)-(144 LEU C) -99.0 -39.0
 &rst     iat =  2280,  2282,  2284,  2299,
	  r1 = -100.0, r2 = -99.0, r3 = -39.0, r4 = -38.0,
	&end

# 144 LEU PSI:  (144 LEU N)-(144 LEU CA)-(144 LEU C)-(145 ALA N) -55.0   5.0
 &rst     iat =  2282,  2284,  2299,  2301,
	  r1 = -56.0, r2 = -55.0, r3 =   5.0, r4 =   6.0,
	&end

# 147 THR PHI:  (146 GLU C)-(147 THR N)-(147 THR CA)-(147 THR C) -111.0 -51.0
 &rst     iat =  2324,  2326,  2328,  2338,
	  r1 = -112.0, r2 = -111.0, r3 = -51.0, r4 = -50.0,
	&end

# 147 THR PSI:  (147 THR N)-(147 THR CA)-(147 THR C)-(148 GLU N) 101.0 161.0
 &rst     iat =  2326,  2328,  2338,  2340,
	  r1 = 100.0, r2 = 101.0, r3 = 161.0, r4 = 162.0,
	&end

#
#  117 PHE  O 32 THR  HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1864, 511, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
#  117 PHE O 32 THR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1864, 510, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  63 ASN  O 33 LEU  HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1037, 525, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  63 ASN O 33 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1037, 524, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  115 TYR  O 34 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1828, 544, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  115 TYR O 34 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1828, 543, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  65 VAL O 35 HIS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1069, 563, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  65 VAL O 35 HIS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1069, 562, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  113 ALA O 36 PHE  HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1786, 580, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  113 ALA O 36 PHE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1786, 579, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  67 VAL  O 37  TRP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1095, 600, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  67 VAL O 37 TRP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1095, 599, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  31 PRO O 63 ASN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 509,1025, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  31 PRO O 63 ASN N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 509,1024, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  33 LEU O 65 VAL  HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 542,1055, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  33 LEU O 65 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 542,1054, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  93 PRO O 66 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1489,1071, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  93 PRO O 66 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1489,1070, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  35 HIS O 67 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 578,1081, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  35 HIS O 67 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 578,1080, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  95 PHE O 68 HIS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1528,1097, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  95 PHE O 68 HIS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1528,1096, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  37 TRP O 69 MET HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 622,1114, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  37 TRP O 69 MET N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 622,1113, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  17 LEU O 94 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 291,1491, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  17 LEU O 94 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 291,1490, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  66 ALA O 95 PHE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1510, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  66 ALA O 95 PHE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1509, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  15 ALA O 96 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 248,1530, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  15 ALA O 96 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 248,1529, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  100 HIS O 103 THR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1596,1627, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  100 HIS O 103 THR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1596,1626, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  101 ALA O 104 ASP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1641, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  101 ALA O 104 ASP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1640, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  102 LEU O 105 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1625,1653, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  102 LEU O 105 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1625,1652, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  36 PHE O 113 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 598,1778, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  36 PHE O 113 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 598,1777, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  127 GLN O 114 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2033,1788, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  127 GLN O 114 TYR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=2033,1787, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  34 ILE O 115 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 561,1809, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  34 ILE O 115 TYR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 561,1808, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  125 HIS O 116 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1996,1830, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  125 HIS O 116 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1996,1829, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  32 THR O 117 PHE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 523,1846, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  32 THR O 117 PHE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 523,1845, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  122 GLN O 118 ASP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1936,1866, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  122 GLN O 118 ASP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1936,1865, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  118 ASP O 121 GLY HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1876,1914, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  118 ASP O 121 GLY N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1876,1913, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  116 VAL O 125 ARG HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1844,1981, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  116 VAL O 125 ARG N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1844,1980, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  114 TYR O 127 GLN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1807,2018, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  114 TYR O 127 GLN N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1807,2017, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  44 CYS O 48 MET HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 719, 768, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  44 CYS O 48 MET N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 719, 767, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  46 GLU O 50 GLN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 756, 799, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  46 GLU O 50 GLN N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 756, 798, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  47 ALA O 51 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 816, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  47 ALA O 51 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 815, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  48 MET O 52 ASN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 832, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  48 MET O 52 ASN N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 783, 831, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  49 PRO O 53 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 797, 846, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  49 PRO O 53 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 797, 845, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  50 GLN O 54 PHE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 861, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  50 GLN O 54 PHE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 860, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  51 VAL O 55 ARG HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 881, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  51 VAL O 55 ARG N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 830, 880, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  52 ASN O 56 ASP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 905, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  52 ASN O 56 ASP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 904, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  53 GLU O 57 LYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 917, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  53 GLU O 57 LYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 916, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  54 PHE O 58 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 879, 939, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  54 PHE O 58 TYR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 879, 938, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  77 ASP O 81 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1293, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  77 ASP O 81 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1292, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  78 PRO O 82 LYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1312, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  78 PRO O 82 LYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1311, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  79 GLY O 83 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1269,1334, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  79 GLY O 83 GLU N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1269,1333, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  80 LYS O 84 THR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1291,1349, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  80 LYS O 84 THR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1291,1348, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  81 ILE O 85 ALA HN  1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1310,1363, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  81 ILE O 85 ALA N  2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1310,1362, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  136 LEU O 140 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2150,2213, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  136 LEU O 140 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=2150,2212, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  137 GLU O 141 ASN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2165,2229, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  137 GLU O 141 ASN N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=2165,2228, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  138 LYS O 142 ARG HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2187,2243, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  138 LYS O 142 ARG N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=2187,2242, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  139 ARG O 143 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2211,2267, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  139 ARG O 143 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=2211,2266, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  140 VAL O 144 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=2227,2283, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  140 VAL O 144 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=2227,2282, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  17 LEU O 19 GLY HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 307, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  17 LEU O 19 GLY N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 306, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  112 PRO O 129 GLY HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1776,2045, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  112 PRO O 129 GLY N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1776,2044, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=22,27,25,26, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=24,30,28,29, &end
#
#  chirality for residue 2 atoms:  CD NZ HE2 HE3
 &rst iat=30,36,34,35, &end
#
#  chirality for residue 2 atoms:  CG CE HD2 HD3
 &rst iat=27,33,31,32, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,40,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=44,49,47,48, &end
#
#  chirality for residue 3 atoms:  CB CD1 CD2 HG
 &rst iat=46,51,55,50, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=42,59,45,46, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=63,68,66,67, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=65,71,69,70, &end
#
#  chirality for residue 4 atoms:  CG NE HD2 HD3
 &rst iat=68,74,72,73, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=61,83,64,65, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=87,92,90,91, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=89,95,93,94, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=85,100,88,89, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=112,106,110,111, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=109,103,107,108, &end
#
#  chirality for residue 6 atoms:  CG N HD2 HD3
 &rst iat=106,102,104,105, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=102,114,113,109, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=118,123,121,122, &end
#
#  chirality for residue 7 atoms:  CB SD HG2 HG3
 &rst iat=120,126,124,125, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=116,131,119,120, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=143,137,141,142, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=140,134,138,139, &end
#
#  chirality for residue 8 atoms:  CG N HD2 HD3
 &rst iat=137,133,135,136, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=133,145,144,140, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=149,154,152,153, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=151,157,155,156, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=147,160,150,151, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=164,169,167,168, &end
#
#  chirality for residue 10 atoms:  CB CD1 CD2 HG
 &rst iat=166,171,175,170, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=162,179,165,166, &end
#
#  chirality for residue 11 atoms:  CA CG2 OG1 HB
 &rst iat=183,187,191,186, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=181,193,184,185, &end
#
#  chirality for residue 12 atoms:  N C HA2 HA3
 &rst iat=195,200,198,199, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=204,209,207,208, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=206,212,210,211, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=202,215,205,206, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=219,224,222,223, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=221,227,225,226, &end
#
#  chirality for residue 14 atoms:  CD NZ HE2 HE3
 &rst iat=227,233,231,232, &end
#
#  chirality for residue 14 atoms:  CG CE HD2 HD3
 &rst iat=224,230,228,229, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=217,237,220,221, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=239,247,242,243, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=251,256,254,255, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=249,271,252,253, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=275,280,278,279, &end
#
#  chirality for residue 17 atoms:  CB CD1 CD2 HG
 &rst iat=277,282,286,281, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=273,290,276,277, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=294,299,297,298, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=292,304,295,296, &end
#
#  chirality for residue 19 atoms:  N C HA2 HA3
 &rst iat=306,311,309,310, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=315,320,318,319, &end
#
#  chirality for residue 20 atoms:  CB CD HG2 HG3
 &rst iat=317,323,321,322, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=313,326,316,317, &end
#
#  chirality for residue 21 atoms:  CA CG1 CG2 HB
 &rst iat=330,334,338,333, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=328,342,331,332, &end
#
#  chirality for residue 22 atoms:  CA CG2 OG1 HB
 &rst iat=346,350,354,349, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=344,356,347,348, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=360,365,363,364, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=362,368,366,367, &end
#
#  chirality for residue 23 atoms:  CG NE HD2 HD3
 &rst iat=365,371,369,370, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=358,380,361,362, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=384,389,387,388, &end
#
#  chirality for residue 24 atoms:  CB CD HG2 HG3
 &rst iat=386,392,390,391, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=382,395,385,386, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=399,404,402,403, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=401,407,405,406, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=397,412,400,401, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=416,421,419,420, &end
#
#  chirality for residue 26 atoms:  CB CD1 CD2 HG
 &rst iat=418,423,427,422, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=414,431,417,418, &end
#
#  chirality for residue 27 atoms:  CA CG2 CG1 HB
 &rst iat=435,439,443,438, &end
#
#  chirality for residue 27 atoms:  CB CD1 HG12 HG13
 &rst iat=437,446,444,445, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=433,450,436,437, &end
#
#  chirality for residue 28 atoms:  N C HA2 HA3
 &rst iat=452,457,455,456, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=461,466,464,465, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=463,469,467,468, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=459,472,462,463, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=476,481,479,480, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=478,484,482,483, &end
#
#  chirality for residue 30 atoms:  CD NZ HE2 HE3
 &rst iat=484,490,488,489, &end
#
#  chirality for residue 30 atoms:  CG CE HD2 HD3
 &rst iat=481,487,485,486, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=474,494,477,478, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=506,500,504,505, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=503,497,501,502, &end
#
#  chirality for residue 31 atoms:  CG N HD2 HD3
 &rst iat=500,496,498,499, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=496,508,507,503, &end
#
#  chirality for residue 32 atoms:  CA CG2 OG1 HB
 &rst iat=512,516,520,515, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=510,522,513,514, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=526,531,529,530, &end
#
#  chirality for residue 33 atoms:  CB CD1 CD2 HG
 &rst iat=528,533,537,532, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=524,541,527,528, &end
#
#  chirality for residue 34 atoms:  CA CG2 CG1 HB
 &rst iat=545,549,553,548, &end
#
#  chirality for residue 34 atoms:  CB CD1 HG12 HG13
 &rst iat=547,556,554,555, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=543,560,546,547, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=564,569,567,568, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=562,577,565,566, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=581,586,584,585, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=579,597,582,583, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=601,606,604,605, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=599,621,602,603, &end
#
#  chirality for residue 38 atoms:  CA OG HB2 HB3
 &rst iat=625,630,628,629, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=623,632,626,627, &end
#
#  chirality for residue 39 atoms:  CA CG2 CG1 HB
 &rst iat=636,640,644,639, &end
#
#  chirality for residue 39 atoms:  CB CD1 HG12 HG13
 &rst iat=638,647,645,646, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=634,651,637,638, &end
#
#  chirality for residue 40 atoms:  CA OG HB2 HB3
 &rst iat=655,660,658,659, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=653,662,656,657, &end
#
#  chirality for residue 41 atoms:  CA SG HB2 HB3
 &rst iat=666,671,669,670, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=664,672,667,668, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=676,681,679,680, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=674,689,677,678, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=693,698,696,697, &end
#
#  chirality for residue 43 atoms:  CB CD1 CD2 HG
 &rst iat=695,700,704,699, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=691,708,694,695, &end
#
#  chirality for residue 44 atoms:  CA SG HB2 HB3
 &rst iat=712,717,715,716, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=710,718,713,714, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=722,727,725,726, &end
#
#  chirality for residue 45 atoms:  CB CD HG2 HG3
 &rst iat=724,730,728,729, &end
#
#  chirality for residue 45 atoms:  CD NZ HE2 HE3
 &rst iat=730,736,734,735, &end
#
#  chirality for residue 45 atoms:  CG CE HD2 HD3
 &rst iat=727,733,731,732, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=720,740,723,724, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=744,749,747,748, &end
#
#  chirality for residue 46 atoms:  CB CD HG2 HG3
 &rst iat=746,752,750,751, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=742,755,745,746, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=757,765,760,761, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=769,774,772,773, &end
#
#  chirality for residue 48 atoms:  CB SD HG2 HG3
 &rst iat=771,777,775,776, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=767,782,770,771, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=794,788,792,793, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=791,785,789,790, &end
#
#  chirality for residue 49 atoms:  CG N HD2 HD3
 &rst iat=788,784,786,787, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=784,796,795,791, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=800,805,803,804, &end
#
#  chirality for residue 50 atoms:  CB CD HG2 HG3
 &rst iat=802,808,806,807, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=798,813,801,802, &end
#
#  chirality for residue 51 atoms:  CA CG1 CG2 HB
 &rst iat=817,821,825,820, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=815,829,818,819, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=833,838,836,837, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=831,843,834,835, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=847,852,850,851, &end
#
#  chirality for residue 53 atoms:  CB CD HG2 HG3
 &rst iat=849,855,853,854, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=845,858,848,849, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=862,867,865,866, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=860,878,863,864, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=882,887,885,886, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=884,890,888,889, &end
#
#  chirality for residue 55 atoms:  CG NE HD2 HD3
 &rst iat=887,893,891,892, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=880,902,883,884, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=906,911,909,910, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=904,914,907,908, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=918,923,921,922, &end
#
#  chirality for residue 57 atoms:  CB CD HG2 HG3
 &rst iat=920,926,924,925, &end
#
#  chirality for residue 57 atoms:  CD NZ HE2 HE3
 &rst iat=926,932,930,931, &end
#
#  chirality for residue 57 atoms:  CG CE HD2 HD3
 &rst iat=923,929,927,928, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=916,936,919,920, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=940,945,943,944, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=938,957,941,942, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=961,966,964,965, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=963,969,967,968, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=959,974,962,963, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=978,983,981,982, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=976,986,979,980, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=990,995,993,994, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=992,998,996,997, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=988,1003,991,992, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=1007,1012,1010,1011, &end
#
#  chirality for residue 62 atoms:  CB CD1 CD2 HG
 &rst iat=1009,1014,1018,1013, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=1005,1022,1008,1009, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=1026,1031,1029,1030, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=1024,1036,1027,1028, &end
#
#  chirality for residue 64 atoms:  CA CG1 CG2 HB
 &rst iat=1040,1044,1048,1043, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=1038,1052,1041,1042, &end
#
#  chirality for residue 65 atoms:  CA CG1 CG2 HB
 &rst iat=1056,1060,1064,1059, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1054,1068,1057,1058, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1070,1078,1073,1074, &end
#
#  chirality for residue 67 atoms:  CA CG1 CG2 HB
 &rst iat=1082,1086,1090,1085, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1080,1094,1083,1084, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1098,1103,1101,1102, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1096,1111,1099,1100, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1115,1120,1118,1119, &end
#
#  chirality for residue 69 atoms:  CB SD HG2 HG3
 &rst iat=1117,1123,1121,1122, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1113,1128,1116,1117, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1140,1134,1138,1139, &end
#
#  chirality for residue 70 atoms:  CB CD HG2 HG3
 &rst iat=1137,1131,1135,1136, &end
#
#  chirality for residue 70 atoms:  CG N HD2 HD3
 &rst iat=1134,1130,1132,1133, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1130,1142,1141,1137, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1146,1151,1149,1150, &end
#
#  chirality for residue 71 atoms:  CB CD HG2 HG3
 &rst iat=1148,1154,1152,1153, &end
#
#  chirality for residue 71 atoms:  CG NE HD2 HD3
 &rst iat=1151,1157,1155,1156, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1144,1166,1147,1148, &end
#
#  chirality for residue 72 atoms:  CA OG HB2 HB3
 &rst iat=1170,1175,1173,1174, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1168,1177,1171,1172, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1181,1186,1184,1185, &end
#
#  chirality for residue 73 atoms:  CB CD HG2 HG3
 &rst iat=1183,1189,1187,1188, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1179,1192,1182,1183, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1196,1201,1199,1200, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1194,1204,1197,1198, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1208,1213,1211,1212, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1206,1216,1209,1210, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1220,1225,1223,1224, &end
#
#  chirality for residue 76 atoms:  CB CD1 CD2 HG
 &rst iat=1222,1227,1231,1226, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1218,1235,1221,1222, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1239,1244,1242,1243, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1237,1247,1240,1241, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1259,1253,1257,1258, &end
#
#  chirality for residue 78 atoms:  CB CD HG2 HG3
 &rst iat=1256,1250,1254,1255, &end
#
#  chirality for residue 78 atoms:  CG N HD2 HD3
 &rst iat=1253,1249,1251,1252, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1249,1261,1260,1256, &end
#
#  chirality for residue 79 atoms:  N C HA2 HA3
 &rst iat=1263,1268,1266,1267, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1272,1277,1275,1276, &end
#
#  chirality for residue 80 atoms:  CB CD HG2 HG3
 &rst iat=1274,1280,1278,1279, &end
#
#  chirality for residue 80 atoms:  CD NZ HE2 HE3
 &rst iat=1280,1286,1284,1285, &end
#
#  chirality for residue 80 atoms:  CG CE HD2 HD3
 &rst iat=1277,1283,1281,1282, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1270,1290,1273,1274, &end
#
#  chirality for residue 81 atoms:  CA CG2 CG1 HB
 &rst iat=1294,1298,1302,1297, &end
#
#  chirality for residue 81 atoms:  CB CD1 HG12 HG13
 &rst iat=1296,1305,1303,1304, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1292,1309,1295,1296, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1313,1318,1316,1317, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=1315,1321,1319,1320, &end
#
#  chirality for residue 82 atoms:  CD NZ HE2 HE3
 &rst iat=1321,1327,1325,1326, &end
#
#  chirality for residue 82 atoms:  CG CE HD2 HD3
 &rst iat=1318,1324,1322,1323, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1311,1331,1314,1315, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1335,1340,1338,1339, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1337,1343,1341,1342, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1333,1346,1336,1337, &end
#
#  chirality for residue 84 atoms:  CA CG2 OG1 HB
 &rst iat=1350,1354,1358,1353, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1348,1360,1351,1352, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1362,1370,1365,1366, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1372,1380,1375,1376, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1384,1389,1387,1388, &end
#
#  chirality for residue 87 atoms:  CB CD HG2 HG3
 &rst iat=1386,1392,1390,1391, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1382,1395,1385,1386, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1399,1404,1402,1403, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1397,1412,1400,1401, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1416,1421,1419,1420, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1414,1424,1417,1418, &end
#
#  chirality for residue 90 atoms:  CA CG2 CG1 HB
 &rst iat=1428,1432,1436,1431, &end
#
#  chirality for residue 90 atoms:  CB CD1 HG12 HG13
 &rst iat=1430,1439,1437,1438, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1426,1443,1429,1430, &end
#
#  chirality for residue 91 atoms:  CA CG2 OG1 HB
 &rst iat=1447,1451,1455,1450, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1445,1457,1448,1449, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1461,1466,1464,1465, &end
#
#  chirality for residue 92 atoms:  CB CD HG2 HG3
 &rst iat=1463,1469,1467,1468, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1459,1474,1462,1463, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1486,1480,1484,1485, &end
#
#  chirality for residue 93 atoms:  CB CD HG2 HG3
 &rst iat=1483,1477,1481,1482, &end
#
#  chirality for residue 93 atoms:  CG N HD2 HD3
 &rst iat=1480,1476,1478,1479, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1476,1488,1487,1483, &end
#
#  chirality for residue 94 atoms:  CA CG2 CG1 HB
 &rst iat=1492,1496,1500,1495, &end
#
#  chirality for residue 94 atoms:  CB CD1 HG12 HG13
 &rst iat=1494,1503,1501,1502, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1490,1507,1493,1494, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1511,1516,1514,1515, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1509,1527,1512,1513, &end
#
#  chirality for residue 96 atoms:  CA CG1 CG2 HB
 &rst iat=1531,1535,1539,1534, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1529,1543,1532,1533, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1547,1552,1550,1551, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1545,1555,1548,1549, &end
#
#  chirality for residue 98 atoms:  CA OG HB2 HB3
 &rst iat=1559,1564,1562,1563, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1557,1566,1560,1561, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1570,1575,1573,1574, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1568,1578,1571,1572, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1582,1587,1585,1586, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1580,1595,1583,1584, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1597,1605,1600,1601, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1609,1614,1612,1613, &end
#
#  chirality for residue 102 atoms:  CB CD1 CD2 HG
 &rst iat=1611,1616,1620,1615, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1607,1624,1610,1611, &end
#
#  chirality for residue 103 atoms:  CA CG2 OG1 HB
 &rst iat=1628,1632,1636,1631, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1626,1638,1629,1630, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1642,1647,1645,1646, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1640,1650,1643,1644, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1652,1660,1655,1656, &end
#
#  chirality for residue 106 atoms:  CA CG HB2 HB3
 &rst iat=1664,1669,1667,1668, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1662,1680,1665,1666, &end
#
#  chirality for residue 107 atoms:  CA CG HB2 HB3
 &rst iat=1684,1689,1687,1688, &end
#
#  chirality for residue 107 atoms:  CB CD HG2 HG3
 &rst iat=1686,1692,1690,1691, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1682,1695,1685,1686, &end
#
#  chirality for residue 108 atoms:  CA CG HB2 HB3
 &rst iat=1699,1704,1702,1703, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1697,1709,1700,1701, &end
#
#  chirality for residue 109 atoms:  CA CG HB2 HB3
 &rst iat=1713,1718,1716,1717, &end
#
#  chirality for residue 109 atoms:  CB CD HG2 HG3
 &rst iat=1715,1721,1719,1720, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1711,1724,1714,1715, &end
#
#  chirality for residue 110 atoms:  CA CG HB2 HB3
 &rst iat=1728,1733,1731,1732, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1726,1745,1729,1730, &end
#
#  chirality for residue 111 atoms:  CA CG1 CG2 HB
 &rst iat=1749,1753,1757,1752, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1747,1761,1750,1751, &end
#
#  chirality for residue 112 atoms:  CA CG HB2 HB3
 &rst iat=1773,1767,1771,1772, &end
#
#  chirality for residue 112 atoms:  CB CD HG2 HG3
 &rst iat=1770,1764,1768,1769, &end
#
#  chirality for residue 112 atoms:  CG N HD2 HD3
 &rst iat=1767,1763,1765,1766, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1763,1775,1774,1770, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1777,1785,1780,1781, &end
#
#  chirality for residue 114 atoms:  CA CG HB2 HB3
 &rst iat=1789,1794,1792,1793, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1787,1806,1790,1791, &end
#
#  chirality for residue 115 atoms:  CA CG HB2 HB3
 &rst iat=1810,1815,1813,1814, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1808,1827,1811,1812, &end
#
#  chirality for residue 116 atoms:  CA CG1 CG2 HB
 &rst iat=1831,1835,1839,1834, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1829,1843,1832,1833, &end
#
#  chirality for residue 117 atoms:  CA CG HB2 HB3
 &rst iat=1847,1852,1850,1851, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1845,1863,1848,1849, &end
#
#  chirality for residue 118 atoms:  CA CG HB2 HB3
 &rst iat=1867,1872,1870,1871, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1865,1875,1868,1869, &end
#
#  chirality for residue 119 atoms:  CA CG HB2 HB3
 &rst iat=1879,1884,1882,1883, &end
#
#  chirality for residue 119 atoms:  CB CD HG2 HG3
 &rst iat=1881,1887,1885,1886, &end
#
#  chirality for residue 119 atoms:  CD NZ HE2 HE3
 &rst iat=1887,1893,1891,1892, &end
#
#  chirality for residue 119 atoms:  CG CE HD2 HD3
 &rst iat=1884,1890,1888,1889, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1877,1897,1880,1881, &end
#
#  chirality for residue 120 atoms:  CA CG2 OG1 HB
 &rst iat=1901,1905,1909,1904, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1899,1911,1902,1903, &end
#
#  chirality for residue 121 atoms:  N C HA2 HA3
 &rst iat=1913,1918,1916,1917, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=1922,1927,1925,1926, &end
#
#  chirality for residue 122 atoms:  CB CD HG2 HG3
 &rst iat=1924,1930,1928,1929, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1920,1935,1923,1924, &end
#
#  chirality for residue 123 atoms:  CA CG HB2 HB3
 &rst iat=1939,1944,1942,1943, &end
#
#  chirality for residue 123 atoms:  CB CD1 CD2 HG
 &rst iat=1941,1946,1950,1945, &end
#
#  chirality for residue 123 atoms:  N C HA CB
 &rst iat=1937,1954,1940,1941, &end
#
#  chirality for residue 124 atoms:  CA CG HB2 HB3
 &rst iat=1958,1963,1961,1962, &end
#
#  chirality for residue 124 atoms:  CB CD HG2 HG3
 &rst iat=1960,1966,1964,1965, &end
#
#  chirality for residue 124 atoms:  CG NE HD2 HD3
 &rst iat=1963,1969,1967,1968, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=1956,1978,1959,1960, &end
#
#  chirality for residue 125 atoms:  CA CG HB2 HB3
 &rst iat=1982,1987,1985,1986, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=1980,1995,1983,1984, &end
#
#  chirality for residue 126 atoms:  CA CG HB2 HB3
 &rst iat=1999,2004,2002,2003, &end
#
#  chirality for residue 126 atoms:  N C HA CB
 &rst iat=1997,2015,2000,2001, &end
#
#  chirality for residue 127 atoms:  CA CG HB2 HB3
 &rst iat=2019,2024,2022,2023, &end
#
#  chirality for residue 127 atoms:  CB CD HG2 HG3
 &rst iat=2021,2027,2025,2026, &end
#
#  chirality for residue 127 atoms:  N C HA CB
 &rst iat=2017,2032,2020,2021, &end
#
#  chirality for residue 128 atoms:  N C HA CB
 &rst iat=2034,2042,2037,2038, &end
#
#  chirality for residue 129 atoms:  N C HA2 HA3
 &rst iat=2044,2049,2047,2048, &end
#
#  chirality for residue 130 atoms:  N C HA2 HA3
 &rst iat=2051,2056,2054,2055, &end
#
#  chirality for residue 131 atoms:  CA OG HB2 HB3
 &rst iat=2060,2065,2063,2064, &end
#
#  chirality for residue 131 atoms:  N C HA CB
 &rst iat=2058,2067,2061,2062, &end
#
#  chirality for residue 132 atoms:  N C HA2 HA3
 &rst iat=2069,2074,2072,2073, &end
#
#  chirality for residue 133 atoms:  CA CG HB2 HB3
 &rst iat=2078,2083,2081,2082, &end
#
#  chirality for residue 133 atoms:  CB SD HG2 HG3
 &rst iat=2080,2086,2084,2085, &end
#
#  chirality for residue 133 atoms:  N C HA CB
 &rst iat=2076,2091,2079,2080, &end
#
#  chirality for residue 134 atoms:  CA CG HB2 HB3
 &rst iat=2095,2100,2098,2099, &end
#
#  chirality for residue 134 atoms:  CB CD HG2 HG3
 &rst iat=2097,2103,2101,2102, &end
#
#  chirality for residue 134 atoms:  CD NZ HE2 HE3
 &rst iat=2103,2109,2107,2108, &end
#
#  chirality for residue 134 atoms:  CG CE HD2 HD3
 &rst iat=2100,2106,2104,2105, &end
#
#  chirality for residue 134 atoms:  N C HA CB
 &rst iat=2093,2113,2096,2097, &end
#
#  chirality for residue 135 atoms:  CA CG HB2 HB3
 &rst iat=2117,2122,2120,2121, &end
#
#  chirality for residue 135 atoms:  CB SD HG2 HG3
 &rst iat=2119,2125,2123,2124, &end
#
#  chirality for residue 135 atoms:  N C HA CB
 &rst iat=2115,2130,2118,2119, &end
#
#  chirality for residue 136 atoms:  CA CG HB2 HB3
 &rst iat=2134,2139,2137,2138, &end
#
#  chirality for residue 136 atoms:  CB CD1 CD2 HG
 &rst iat=2136,2141,2145,2140, &end
#
#  chirality for residue 136 atoms:  N C HA CB
 &rst iat=2132,2149,2135,2136, &end
#
#  chirality for residue 137 atoms:  CA CG HB2 HB3
 &rst iat=2153,2158,2156,2157, &end
#
#  chirality for residue 137 atoms:  CB CD HG2 HG3
 &rst iat=2155,2161,2159,2160, &end
#
#  chirality for residue 137 atoms:  N C HA CB
 &rst iat=2151,2164,2154,2155, &end
#
#  chirality for residue 138 atoms:  CA CG HB2 HB3
 &rst iat=2168,2173,2171,2172, &end
#
#  chirality for residue 138 atoms:  CB CD HG2 HG3
 &rst iat=2170,2176,2174,2175, &end
#
#  chirality for residue 138 atoms:  CD NZ HE2 HE3
 &rst iat=2176,2182,2180,2181, &end
#
#  chirality for residue 138 atoms:  CG CE HD2 HD3
 &rst iat=2173,2179,2177,2178, &end
#
#  chirality for residue 138 atoms:  N C HA CB
 &rst iat=2166,2186,2169,2170, &end
#
#  chirality for residue 139 atoms:  CA CG HB2 HB3
 &rst iat=2190,2195,2193,2194, &end
#
#  chirality for residue 139 atoms:  CB CD HG2 HG3
 &rst iat=2192,2198,2196,2197, &end
#
#  chirality for residue 139 atoms:  CG NE HD2 HD3
 &rst iat=2195,2201,2199,2200, &end
#
#  chirality for residue 139 atoms:  N C HA CB
 &rst iat=2188,2210,2191,2192, &end
#
#  chirality for residue 140 atoms:  CA CG1 CG2 HB
 &rst iat=2214,2218,2222,2217, &end
#
#  chirality for residue 140 atoms:  N C HA CB
 &rst iat=2212,2226,2215,2216, &end
#
#  chirality for residue 141 atoms:  CA CG HB2 HB3
 &rst iat=2230,2235,2233,2234, &end
#
#  chirality for residue 141 atoms:  N C HA CB
 &rst iat=2228,2240,2231,2232, &end
#
#  chirality for residue 142 atoms:  CA CG HB2 HB3
 &rst iat=2244,2249,2247,2248, &end
#
#  chirality for residue 142 atoms:  CB CD HG2 HG3
 &rst iat=2246,2252,2250,2251, &end
#
#  chirality for residue 142 atoms:  CG NE HD2 HD3
 &rst iat=2249,2255,2253,2254, &end
#
#  chirality for residue 142 atoms:  N C HA CB
 &rst iat=2242,2264,2245,2246, &end
#
#  chirality for residue 143 atoms:  CA CG1 CG2 HB
 &rst iat=2268,2272,2276,2271, &end
#
#  chirality for residue 143 atoms:  N C HA CB
 &rst iat=2266,2280,2269,2270, &end
#
#  chirality for residue 144 atoms:  CA CG HB2 HB3
 &rst iat=2284,2289,2287,2288, &end
#
#  chirality for residue 144 atoms:  CB CD1 CD2 HG
 &rst iat=2286,2291,2295,2290, &end
#
#  chirality for residue 144 atoms:  N C HA CB
 &rst iat=2282,2299,2285,2286, &end
#
#  chirality for residue 145 atoms:  N C HA CB
 &rst iat=2301,2309,2304,2305, &end
#
#  chirality for residue 146 atoms:  CA CG HB2 HB3
 &rst iat=2313,2318,2316,2317, &end
#
#  chirality for residue 146 atoms:  CB CD HG2 HG3
 &rst iat=2315,2321,2319,2320, &end
#
#  chirality for residue 146 atoms:  N C HA CB
 &rst iat=2311,2324,2314,2315, &end
#
#  chirality for residue 147 atoms:  CA CG2 OG1 HB
 &rst iat=2328,2332,2336,2331, &end
#
#  chirality for residue 147 atoms:  N C HA CB
 &rst iat=2326,2338,2329,2330, &end
#
#  chirality for residue 148 atoms:  CA CG HB2 HB3
 &rst iat=2342,2347,2345,2346, &end
#
#  chirality for residue 148 atoms:  CB CD HG2 HG3
 &rst iat=2344,2350,2348,2349, &end
#
#  chirality for residue 148 atoms:  N C HA CB
 &rst iat=2340,2353,2343,2344, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=44,42,40,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=63,61,59,44, &end
#
#  trans-omega constraint for residue 5
 &rst iat=87,85,83,63, &end
#
#  trans-omega constraint for residue 6
 &rst iat=112,102,100,87, &end
#
#  trans-omega constraint for residue 7
 &rst iat=118,116,114,112, &end
#
#  trans-omega constraint for residue 8
 &rst iat=143,133,131,118, &end
#
#  trans-omega constraint for residue 9
 &rst iat=149,147,145,143, &end
#
#  trans-omega constraint for residue 10
 &rst iat=164,162,160,149, &end
#
#  trans-omega constraint for residue 11
 &rst iat=183,181,179,164, &end
#
#  trans-omega constraint for residue 12
 &rst iat=197,195,193,183, &end
#
#  trans-omega constraint for residue 13
 &rst iat=204,202,200,197, &end
#
#  trans-omega constraint for residue 14
 &rst iat=219,217,215,204, &end
#
#  trans-omega constraint for residue 15
 &rst iat=241,239,237,219, &end
#
#  trans-omega constraint for residue 16
 &rst iat=251,249,247,241, &end
#
#  trans-omega constraint for residue 17
 &rst iat=275,273,271,251, &end
#
#  trans-omega constraint for residue 18
 &rst iat=294,292,290,275, &end
#
#  trans-omega constraint for residue 19
 &rst iat=308,306,304,294, &end
#
#  trans-omega constraint for residue 20
 &rst iat=315,313,311,308, &end
#
#  trans-omega constraint for residue 21
 &rst iat=330,328,326,315, &end
#
#  trans-omega constraint for residue 22
 &rst iat=346,344,342,330, &end
#
#  trans-omega constraint for residue 23
 &rst iat=360,358,356,346, &end
#
#  trans-omega constraint for residue 24
 &rst iat=384,382,380,360, &end
#
#  trans-omega constraint for residue 25
 &rst iat=399,397,395,384, &end
#
#  trans-omega constraint for residue 26
 &rst iat=416,414,412,399, &end
#
#  trans-omega constraint for residue 27
 &rst iat=435,433,431,416, &end
#
#  trans-omega constraint for residue 28
 &rst iat=454,452,450,435, &end
#
#  trans-omega constraint for residue 29
 &rst iat=461,459,457,454, &end
#
#  trans-omega constraint for residue 30
 &rst iat=476,474,472,461, &end
#
#  trans-omega constraint for residue 31
 &rst iat=506,496,494,476, &end
#
#  trans-omega constraint for residue 32
 &rst iat=512,510,508,506, &end
#
#  trans-omega constraint for residue 33
 &rst iat=526,524,522,512, &end
#
#  trans-omega constraint for residue 34
 &rst iat=545,543,541,526, &end
#
#  trans-omega constraint for residue 35
 &rst iat=564,562,560,545, &end
#
#  trans-omega constraint for residue 36
 &rst iat=581,579,577,564, &end
#
#  trans-omega constraint for residue 37
 &rst iat=601,599,597,581, &end
#
#  trans-omega constraint for residue 38
 &rst iat=625,623,621,601, &end
#
#  trans-omega constraint for residue 39
 &rst iat=636,634,632,625, &end
#
#  trans-omega constraint for residue 40
 &rst iat=655,653,651,636, &end
#
#  trans-omega constraint for residue 41
 &rst iat=666,664,662,655, &end
#
#  trans-omega constraint for residue 42
 &rst iat=676,674,672,666, &end
#
#  trans-omega constraint for residue 43
 &rst iat=693,691,689,676, &end
#
#  trans-omega constraint for residue 44
 &rst iat=712,710,708,693, &end
#
#  trans-omega constraint for residue 45
 &rst iat=722,720,718,712, &end
#
#  trans-omega constraint for residue 46
 &rst iat=744,742,740,722, &end
#
#  trans-omega constraint for residue 47
 &rst iat=759,757,755,744, &end
#
#  trans-omega constraint for residue 48
 &rst iat=769,767,765,759, &end
#
#  trans-omega constraint for residue 49
 &rst iat=794,784,782,769, &end
#
#  trans-omega constraint for residue 50
 &rst iat=800,798,796,794, &end
#
#  trans-omega constraint for residue 51
 &rst iat=817,815,813,800, &end
#
#  trans-omega constraint for residue 52
 &rst iat=833,831,829,817, &end
#
#  trans-omega constraint for residue 53
 &rst iat=847,845,843,833, &end
#
#  trans-omega constraint for residue 54
 &rst iat=862,860,858,847, &end
#
#  trans-omega constraint for residue 55
 &rst iat=882,880,878,862, &end
#
#  trans-omega constraint for residue 56
 &rst iat=906,904,902,882, &end
#
#  trans-omega constraint for residue 57
 &rst iat=918,916,914,906, &end
#
#  trans-omega constraint for residue 58
 &rst iat=940,938,936,918, &end
#
#  trans-omega constraint for residue 59
 &rst iat=961,959,957,940, &end
#
#  trans-omega constraint for residue 60
 &rst iat=978,976,974,961, &end
#
#  trans-omega constraint for residue 61
 &rst iat=990,988,986,978, &end
#
#  trans-omega constraint for residue 62
 &rst iat=1007,1005,1003,990, &end
#
#  trans-omega constraint for residue 63
 &rst iat=1026,1024,1022,1007, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1040,1038,1036,1026, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1056,1054,1052,1040, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1072,1070,1068,1056, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1082,1080,1078,1072, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1098,1096,1094,1082, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1115,1113,1111,1098, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1140,1130,1128,1115, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1146,1144,1142,1140, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1170,1168,1166,1146, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1181,1179,1177,1170, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1196,1194,1192,1181, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1208,1206,1204,1196, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1220,1218,1216,1208, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1239,1237,1235,1220, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1259,1249,1247,1239, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1265,1263,1261,1259, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1272,1270,1268,1265, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1294,1292,1290,1272, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1313,1311,1309,1294, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1335,1333,1331,1313, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1350,1348,1346,1335, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1364,1362,1360,1350, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1374,1372,1370,1364, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1384,1382,1380,1374, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1399,1397,1395,1384, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1416,1414,1412,1399, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1428,1426,1424,1416, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1447,1445,1443,1428, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1461,1459,1457,1447, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1486,1476,1474,1461, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1492,1490,1488,1486, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1511,1509,1507,1492, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1531,1529,1527,1511, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1547,1545,1543,1531, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1559,1557,1555,1547, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1570,1568,1566,1559, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1582,1580,1578,1570, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1599,1597,1595,1582, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1609,1607,1605,1599, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1628,1626,1624,1609, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1642,1640,1638,1628, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1654,1652,1650,1642, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1664,1662,1660,1654, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1684,1682,1680,1664, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1699,1697,1695,1684, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1713,1711,1709,1699, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1728,1726,1724,1713, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1749,1747,1745,1728, &end
#
#  cis-omega constraint for residue 112
 &rst iat=1773,1763,1761,1749, &end
 r1=-30., r2=-10., r3=10., r4=30., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 113
 &rst iat=1779,1777,1775,1773, &end
 r1=150., r2=170., r3=190., r4=210., rk2 =150., rk3=150.,  &end
#
#  trans-omega constraint for residue 114
 &rst iat=1789,1787,1785,1779, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1810,1808,1806,1789, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1831,1829,1827,1810, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1847,1845,1843,1831, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1867,1865,1863,1847, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1879,1877,1875,1867, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1901,1899,1897,1879, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1915,1913,1911,1901, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1922,1920,1918,1915, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1939,1937,1935,1922, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1958,1956,1954,1939, &end
#
#  trans-omega constraint for residue 125
 &rst iat=1982,1980,1978,1958, &end
#
#  trans-omega constraint for residue 126
 &rst iat=1999,1997,1995,1982, &end
#
#  trans-omega constraint for residue 127
 &rst iat=2019,2017,2015,1999, &end
#
#  trans-omega constraint for residue 128
 &rst iat=2036,2034,2032,2019, &end
#
#  trans-omega constraint for residue 129
 &rst iat=2046,2044,2042,2036, &end
#
#  trans-omega constraint for residue 130
 &rst iat=2053,2051,2049,2046, &end
#
#  trans-omega constraint for residue 131
 &rst iat=2060,2058,2056,2053, &end
#
#  trans-omega constraint for residue 132
 &rst iat=2071,2069,2067,2060, &end
#
#  trans-omega constraint for residue 133
 &rst iat=2078,2076,2074,2071, &end
#
#  trans-omega constraint for residue 134
 &rst iat=2095,2093,2091,2078, &end
#
#  trans-omega constraint for residue 135
 &rst iat=2117,2115,2113,2095, &end
#
#  trans-omega constraint for residue 136
 &rst iat=2134,2132,2130,2117, &end
#
#  trans-omega constraint for residue 137
 &rst iat=2153,2151,2149,2134, &end
#
#  trans-omega constraint for residue 138
 &rst iat=2168,2166,2164,2153, &end
#
#  trans-omega constraint for residue 139
 &rst iat=2190,2188,2186,2168, &end
#
#  trans-omega constraint for residue 140
 &rst iat=2214,2212,2210,2190, &end
#
#  trans-omega constraint for residue 141
 &rst iat=2230,2228,2226,2214, &end
#
#  trans-omega constraint for residue 142
 &rst iat=2244,2242,2240,2230, &end
#
#  trans-omega constraint for residue 143
 &rst iat=2268,2266,2264,2244, &end
#
#  trans-omega constraint for residue 144
 &rst iat=2284,2282,2280,2268, &end
#
#  trans-omega constraint for residue 145
 &rst iat=2303,2301,2299,2284, &end
#
#  trans-omega constraint for residue 146
 &rst iat=2313,2311,2309,2303, &end
#
#  trans-omega constraint for residue 147
 &rst iat=2328,2326,2324,2313, &end
#
#  trans-omega constraint for residue 148
 &rst iat=2342,2340,2338,2328, &end



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           H1       MET   1  -0.908   1.229  -1.335
    2   2H    MET   1           H2       MET   1  -1.297   0.675  -2.824
    3   3H    MET   1           H3       MET   1  -0.729  -0.360  -1.681
    4    HA   MET   1           HA       MET   1   1.411   0.758  -1.660
    5   1HB   MET   1          HB2       MET   1   0.443  -0.337  -4.327
    6   2HB   MET   1          HB3       MET   1   2.088   0.269  -4.111
    7   1HG   MET   1          HG2       MET   1   0.820  -1.946  -2.503
    8   2HG   MET   1          HG3       MET   1   1.973  -2.164  -3.807
    9   1HE   MET   1          HE1       MET   1   4.377  -2.152  -3.667
   10   2HE   MET   1          HE2       MET   1   4.713  -0.454  -3.218
   11   3HE   MET   1          HE3       MET   1   5.358  -1.780  -2.234
   12    H    LYS   2           H        LYS   2   1.963   2.871  -1.462
   13    HA   LYS   2           HA       LYS   2   1.151   4.901  -3.438
   14   1HB   LYS   2          HB2       LYS   2   3.319   4.950  -1.273
   15   2HB   LYS   2          HB3       LYS   2   2.777   6.333  -2.232
   16   1HG   LYS   2          HG2       LYS   2   0.489   6.093  -1.314
   17   2HG   LYS   2          HG3       LYS   2   1.013   4.709  -0.339
   18   1HD   LYS   2          HD2       LYS   2   2.605   6.133   0.890
   19   2HD   LYS   2          HD3       LYS   2   2.093   7.545  -0.074
   20   1HE   LYS   2          HE2       LYS   2  -0.225   7.281   0.719
   21   2HE   LYS   2          HE3       LYS   2   0.210   5.811   1.600
   22   1HZ   LYS   2          HZ1       LYS   2   1.611   7.147   3.043
   23   2HZ   LYS   2          HZ2       LYS   2   1.244   8.517   2.220
   24   3HZ   LYS   2          HZ3       LYS   2   0.087   7.725   3.052
   25    H    LEU   3           H        LEU   3   2.549   5.712  -5.072
   26    HA   LEU   3           HA       LEU   3   4.557   3.874  -6.160
   27   1HB   LEU   3          HB2       LEU   3   3.688   6.652  -7.067
   28   2HB   LEU   3          HB3       LEU   3   4.714   5.538  -7.963
   29    HG   LEU   3           HG       LEU   3   1.760   5.203  -7.315
   30   1HD1  LEU   3          HD11      LEU   3   2.278   6.743  -9.159
   31   2HD1  LEU   3          HD12      LEU   3   3.226   5.481  -9.970
   32   3HD1  LEU   3          HD13      LEU   3   1.472   5.284  -9.749
   33   1HD2  LEU   3          HD21      LEU   3   3.667   3.204  -8.582
   34   2HD2  LEU   3          HD22      LEU   3   2.632   2.984  -7.155
   35   3HD2  LEU   3          HD23      LEU   3   1.893   3.122  -8.746
   36    H    ARG   4           H        ARG   4   5.583   4.142  -3.899
   37    HA   ARG   4           HA       ARG   4   7.790   6.036  -3.837
   38   1HB   ARG   4          HB2       ARG   4   5.747   7.430  -3.197
   39   2HB   ARG   4          HB3       ARG   4   5.460   6.320  -1.868
   40   1HG   ARG   4          HG2       ARG   4   6.477   8.196  -0.900
   41   2HG   ARG   4          HG3       ARG   4   7.754   6.991  -0.952
   42   1HD   ARG   4          HD2       ARG   4   8.447   8.154  -3.203
   43   2HD   ARG   4          HD3       ARG   4   7.359   9.443  -2.708
   44    HE   ARG   4           HE       ARG   4   8.691   9.916  -0.798
   45   1HH1  ARG   4          HH11      ARG   4  10.272   7.809  -3.087
   46   2HH1  ARG   4          HH12      ARG   4  11.706   7.522  -2.126
   47   1HH2  ARG   4          HH21      ARG   4  10.703   9.861   0.363
   48   2HH2  ARG   4          HH22      ARG   4  12.022   8.912  -0.228
   49    H    GLN   5           H        GLN   5   5.762   3.547  -2.150
   50    HA   GLN   5           HA       GLN   5   7.508   3.353   0.101
   51   1HB   GLN   5          HB2       GLN   5   6.104   0.841  -0.520
   52   2HB   GLN   5          HB3       GLN   5   6.106   1.819   0.942
   53   1HG   GLN   5          HG2       GLN   5   4.355   3.251  -0.150
   54   2HG   GLN   5          HG3       GLN   5   4.346   2.077  -1.496
   55   1HE2  GLN   5          HE22      GLN   5   4.872  -0.087   0.877
   56   2HE2  GLN   5          HE21      GLN   5   3.234  -0.380   1.395
   57    HA   PRO   6           HA       PRO   6  10.388   0.121  -1.432
   58   1HB   PRO   6          HB2       PRO   6  10.824  -1.360   0.803
   59   2HB   PRO   6          HB3       PRO   6  11.560   0.255   0.561
   60   1HG   PRO   6          HG2       PRO   6   9.048  -0.431   2.118
   61   2HG   PRO   6          HG3       PRO   6  10.432   0.578   2.647
   62   1HD   PRO   6          HD2       PRO   6   8.154   1.655   1.626
   63   2HD   PRO   6          HD3       PRO   6   9.747   2.386   1.293
   64    H    MET   7           H        MET   7  10.263  -2.228  -1.699
   65    HA   MET   7           HA       MET   7   7.742  -3.408  -2.252
   66   1HB   MET   7          HB2       MET   7  10.552  -4.134  -2.062
   67   2HB   MET   7          HB3       MET   7   9.569  -5.458  -1.455
   68   1HG   MET   7          HG2       MET   7   8.574  -5.824  -3.535
   69   2HG   MET   7          HG3       MET   7   9.030  -4.228  -4.143
   70   1HE   MET   7          HE1       MET   7  10.307  -4.635  -6.268
   71   2HE   MET   7          HE2       MET   7  11.262  -3.580  -5.193
   72   3HE   MET   7          HE3       MET   7  12.048  -4.877  -6.129
   73    HA   PRO   8           HA       PRO   8   6.413  -4.658   1.863
   74   1HB   PRO   8          HB2       PRO   8   4.800  -6.796   1.332
   75   2HB   PRO   8          HB3       PRO   8   4.398  -5.135   0.819
   76   1HG   PRO   8          HG2       PRO   8   5.755  -7.303  -0.819
   77   2HG   PRO   8          HG3       PRO   8   4.313  -6.334  -1.251
   78   1HD   PRO   8          HD2       PRO   8   6.816  -5.653  -2.078
   79   2HD   PRO   8          HD3       PRO   8   5.609  -4.405  -1.646
   80    H    GLU   9           H        GLU   9   6.090  -7.097   2.940
   81    HA   GLU   9           HA       GLU   9   8.771  -7.847   3.556
   82   1HB   GLU   9          HB2       GLU   9   6.092  -9.046   4.389
   83   2HB   GLU   9          HB3       GLU   9   7.654  -9.402   5.144
   84   1HG   GLU   9          HG2       GLU   9   7.910  -6.946   5.655
   85   2HG   GLU   9          HG3       GLU   9   6.266  -6.688   5.071
   86    H    LEU  10           H        LEU  10   6.945  -8.886   0.946
   87    HA   LEU  10           HA       LEU  10   6.900 -10.666  -0.442
   88   1HB   LEU  10          HB2       LEU  10   9.777 -11.112   0.381
   89   2HB   LEU  10          HB3       LEU  10   8.983 -11.669  -1.089
   90    HG   LEU  10           HG       LEU  10   9.632  -8.788  -0.359
   91   1HD1  LEU  10          HD11      LEU  10  11.534 -10.156  -1.055
   92   2HD1  LEU  10          HD12      LEU  10  10.657 -10.672  -2.522
   93   3HD1  LEU  10          HD13      LEU  10  11.114  -8.966  -2.317
   94   1HD2  LEU  10          HD21      LEU  10   8.247  -9.856  -2.863
   95   2HD2  LEU  10          HD22      LEU  10   7.524  -8.781  -1.642
   96   3HD2  LEU  10          HD23      LEU  10   8.855  -8.201  -2.643
   97    H    THR  11           H        THR  11   5.670 -11.244   1.893
   98    HA   THR  11           HA       THR  11   6.289 -13.840   2.947
   99    HB   THR  11           HB       THR  11   3.734 -13.600   3.497
  100    HG1  THR  11           HG1      THR  11   2.989 -11.457   3.328
  101   1HG2  THR  11          HG21      THR  11   5.555 -13.176   5.129
  102   2HG2  THR  11          HG22      THR  11   5.712 -11.512   4.527
  103   3HG2  THR  11          HG23      THR  11   4.217 -12.037   5.335
  104    H    GLY  12           H        GLY  12   4.740 -15.721   2.549
  105   1HA   GLY  12          HA2       GLY  12   3.047 -16.562   0.839
  106   2HA   GLY  12          HA3       GLY  12   4.252 -16.108  -0.379
  107    H    GLU  13           H        GLU  13   3.166 -18.682   1.424
  108    HA   GLU  13           HA       GLU  13   5.857 -19.646   2.217
  109   1HB   GLU  13          HB2       GLU  13   3.106 -19.991   3.458
  110   2HB   GLU  13          HB3       GLU  13   4.593 -20.619   4.134
  111   1HG   GLU  13          HG2       GLU  13   4.181 -17.628   3.697
  112   2HG   GLU  13          HG3       GLU  13   3.635 -18.469   5.131
  113    H    LYS  14           H        LYS  14   3.617 -20.555  -0.144
  114    HA   LYS  14           HA       LYS  14   3.527 -23.393   0.405
  115   1HB   LYS  14          HB2       LYS  14   2.029 -22.072  -1.171
  116   2HB   LYS  14          HB3       LYS  14   3.303 -22.132  -2.368
  117   1HG   LYS  14          HG2       LYS  14   2.153 -24.618  -1.012
  118   2HG   LYS  14          HG3       LYS  14   1.352 -23.864  -2.361
  119   1HD   LYS  14          HD2       LYS  14   3.601 -25.721  -2.319
  120   2HD   LYS  14          HD3       LYS  14   2.409 -25.391  -3.563
  121   1HE   LYS  14          HE2       LYS  14   3.708 -23.632  -4.530
  122   2HE   LYS  14          HE3       LYS  14   4.819 -23.589  -3.158
  123   1HZ   LYS  14          HZ1       LYS  14   5.583 -25.811  -3.751
  124   2HZ   LYS  14          HZ2       LYS  14   4.572 -25.868  -5.035
  125   3HZ   LYS  14          HZ3       LYS  14   5.795 -24.790  -5.010
  126    H    ALA  15           H        ALA  15   5.619 -21.362  -1.629
  127    HA   ALA  15           HA       ALA  15   8.035 -21.923  -0.811
  128   1HB   ALA  15          HB1       ALA  15   7.982 -24.342  -1.171
  129   2HB   ALA  15          HB2       ALA  15   7.468 -24.106  -2.868
  130   3HB   ALA  15          HB3       ALA  15   9.083 -23.630  -2.324
  131    H    TRP  16           H        TRP  16   9.775 -21.546  -2.521
  132    HA   TRP  16           HA       TRP  16   8.942 -19.794  -4.735
  133   1HB   TRP  16          HB2       TRP  16  11.350 -19.674  -5.149
  134   2HB   TRP  16          HB3       TRP  16  10.960 -19.245  -3.499
  135    HD1  TRP  16           HD1      TRP  16  11.785 -20.880  -1.553
  136    HE1  TRP  16           HE1      TRP  16  13.672 -22.582  -1.432
  137    HE3  TRP  16           HE3      TRP  16  12.551 -21.571  -6.564
  138    HZ2  TRP  16           HZ2      TRP  16  15.497 -23.883  -3.288
  139    HZ3  TRP  16           HZ3      TRP  16  14.445 -22.960  -7.365
  140    HH2  TRP  16           HH2      TRP  16  15.937 -24.098  -5.734
  141    H    LEU  17           H        LEU  17   9.857 -20.389  -6.917
  142    HA   LEU  17           HA       LEU  17   9.987 -23.229  -7.672
  143   1HB   LEU  17          HB2       LEU  17   7.566 -22.737  -7.530
  144   2HB   LEU  17          HB3       LEU  17   7.792 -21.233  -8.412
  145    HG   LEU  17           HG       LEU  17   8.422 -22.519 -10.456
  146   1HD1  LEU  17          HD11      LEU  17   9.211 -24.639  -9.391
  147   2HD1  LEU  17          HD12      LEU  17   7.562 -24.953  -8.816
  148   3HD1  LEU  17          HD13      LEU  17   7.918 -24.931 -10.557
  149   1HD2  LEU  17          HD21      LEU  17   5.733 -23.265  -9.241
  150   2HD2  LEU  17          HD22      LEU  17   6.118 -21.730 -10.046
  151   3HD2  LEU  17          HD23      LEU  17   6.146 -23.231 -10.973
  152    H    ASN  18           H        ASN  18  11.043 -23.388  -9.699
  153    HA   ASN  18           HA       ASN  18  12.377 -22.916 -11.401
  154   1HB   ASN  18          HB2       ASN  18  10.261 -20.794 -11.741
  155   2HB   ASN  18          HB3       ASN  18  11.659 -20.786 -12.793
  156   1HD2  ASN  18          HD22      ASN  18   9.558 -21.079 -14.284
  157   2HD2  ASN  18          HD21      ASN  18   9.306 -22.748 -14.738
  158    H    GLY  19           H        GLY  19  12.519 -20.661  -8.857
  159   1HA   GLY  19          HA2       GLY  19  15.306 -20.509  -8.935
  160   2HA   GLY  19          HA3       GLY  19  14.681 -19.028  -9.690
  161    H    GLU  20           H        GLU  20  16.064 -18.976  -7.203
  162    HA   GLU  20           HA       GLU  20  13.896 -18.250  -5.278
  163   1HB   GLU  20          HB2       GLU  20  15.094 -20.399  -4.691
  164   2HB   GLU  20          HB3       GLU  20  16.589 -19.483  -4.580
  165   1HG   GLU  20          HG2       GLU  20  15.444 -17.989  -2.855
  166   2HG   GLU  20          HG3       GLU  20  14.043 -19.050  -2.949
  167    H    VAL  21           H        VAL  21  13.918 -16.071  -5.366
  168    HA   VAL  21           HA       VAL  21  16.407 -14.724  -4.603
  169    HB   VAL  21           HB       VAL  21  16.127 -12.883  -6.129
  170   1HG1  VAL  21          HG11      VAL  21  17.542 -14.721  -6.898
  171   2HG1  VAL  21          HG12      VAL  21  16.162 -15.463  -7.727
  172   3HG1  VAL  21          HG13      VAL  21  16.773 -13.882  -8.251
  173   1HG2  VAL  21          HG21      VAL  21  13.649 -14.316  -7.113
  174   2HG2  VAL  21          HG22      VAL  21  13.816 -12.658  -6.526
  175   3HG2  VAL  21          HG23      VAL  21  14.481 -13.098  -8.099
  176    H    THR  22           H        THR  22  15.872 -12.525  -3.818
  177    HA   THR  22           HA       THR  22  13.093 -11.975  -3.083
  178    HB   THR  22           HB       THR  22  13.989 -11.208  -0.809
  179    HG1  THR  22           HG1      THR  22  15.965 -11.971  -0.159
  180   1HG2  THR  22          HG21      THR  22  12.728 -13.370  -0.990
  181   2HG2  THR  22          HG22      THR  22  14.273 -14.220  -1.209
  182   3HG2  THR  22          HG23      THR  22  13.929 -13.358   0.305
  183    H    ARG  23           H        ARG  23  13.012  -9.563  -2.648
  184    HA   ARG  23           HA       ARG  23  14.375  -7.772  -4.247
  185   1HB   ARG  23          HB2       ARG  23  12.500  -7.212  -2.708
  186   2HB   ARG  23          HB3       ARG  23  13.541  -7.456  -1.312
  187   1HG   ARG  23          HG2       ARG  23  15.026  -5.594  -2.134
  188   2HG   ARG  23          HG3       ARG  23  13.905  -5.369  -3.476
  189   1HD   ARG  23          HD2       ARG  23  13.908  -3.925  -1.166
  190   2HD   ARG  23          HD3       ARG  23  12.589  -4.059  -2.283
  191    HE   ARG  23           HE       ARG  23  11.456  -5.573  -0.876
  192   1HH1  ARG  23          HH11      ARG  23  14.561  -4.715   0.600
  193   2HH1  ARG  23          HH12      ARG  23  14.052  -5.080   2.213
  194   1HH2  ARG  23          HH21      ARG  23  10.709  -5.928   1.250
  195   2HH2  ARG  23          HH22      ARG  23  11.795  -5.774   2.579
  196    H    GLU  24           H        GLU  24  15.323  -8.846  -0.976
  197    HA   GLU  24           HA       GLU  24  17.556  -7.153  -0.767
  198   1HB   GLU  24          HB2       GLU  24  16.892  -9.728   0.726
  199   2HB   GLU  24          HB3       GLU  24  18.088  -8.519   1.232
  200   1HG   GLU  24          HG2       GLU  24  16.188  -6.798   1.160
  201   2HG   GLU  24          HG3       GLU  24  15.068  -8.152   1.016
  202    H    GLN  25           H        GLN  25  17.297 -10.257  -2.398
  203    HA   GLN  25           HA       GLN  25  20.223 -10.648  -2.391
  204   1HB   GLN  25          HB2       GLN  25  17.894 -12.290  -3.439
  205   2HB   GLN  25          HB3       GLN  25  19.584 -12.703  -3.736
  206   1HG   GLN  25          HG2       GLN  25  20.032 -12.802  -1.307
  207   2HG   GLN  25          HG3       GLN  25  18.344 -12.429  -0.967
  208   1HE2  GLN  25          HE22      GLN  25  16.683 -13.976  -1.698
  209   2HE2  GLN  25          HE21      GLN  25  17.106 -15.675  -1.934
  210    H    LEU  26           H        LEU  26  17.818  -9.208  -4.575
  211    HA   LEU  26           HA       LEU  26  19.914  -9.282  -6.710
  212   1HB   LEU  26          HB2       LEU  26  18.208  -9.406  -8.409
  213   2HB   LEU  26          HB3       LEU  26  18.353 -10.827  -7.407
  214    HG   LEU  26           HG       LEU  26  16.264 -10.444  -6.341
  215   1HD1  LEU  26          HD11      LEU  26  16.118  -8.040  -6.060
  216   2HD1  LEU  26          HD12      LEU  26  16.018  -7.794  -7.817
  217   3HD1  LEU  26          HD13      LEU  26  14.709  -8.608  -6.943
  218   1HD2  LEU  26          HD21      LEU  26  16.100 -10.015  -9.339
  219   2HD2  LEU  26          HD22      LEU  26  16.227 -11.547  -8.490
  220   3HD2  LEU  26          HD23      LEU  26  14.757 -10.572  -8.312
  221    H    ILE  27           H        ILE  27  18.127  -7.063  -4.817
  222    HA   ILE  27           HA       ILE  27  18.254  -4.961  -6.855
  223    HB   ILE  27           HB       ILE  27  17.540  -5.066  -3.909
  224   1HG1  ILE  27          HG12      ILE  27  16.174  -5.081  -6.575
  225   2HG1  ILE  27          HG13      ILE  27  15.710  -5.829  -5.067
  226   1HG2  ILE  27          HG21      ILE  27  18.696  -2.912  -4.206
  227   2HG2  ILE  27          HG22      ILE  27  17.603  -2.533  -5.560
  228   3HG2  ILE  27          HG23      ILE  27  16.990  -2.703  -3.901
  229   1HD1  ILE  27          HD11      ILE  27  14.915  -3.563  -4.295
  230   2HD1  ILE  27          HD12      ILE  27  15.287  -2.966  -5.942
  231   3HD1  ILE  27          HD13      ILE  27  14.063  -4.218  -5.704
  232    H    GLY  28           H        GLY  28  19.622  -3.200  -6.869
  233   1HA   GLY  28          HA2       GLY  28  21.553  -2.439  -5.145
  234   2HA   GLY  28          HA3       GLY  28  22.392  -3.674  -6.111
  235    H    GLU  29           H        GLU  29  21.314  -3.344  -8.628
  236    HA   GLU  29           HA       GLU  29  21.794  -0.498  -9.357
  237   1HB   GLU  29          HB2       GLU  29  23.914  -1.833  -9.141
  238   2HB   GLU  29          HB3       GLU  29  23.379  -2.836 -10.488
  239   1HG   GLU  29          HG2       GLU  29  23.769  -1.163 -12.049
  240   2HG   GLU  29          HG3       GLU  29  23.345   0.138 -10.936
  241    H    LYS  30           H        LYS  30  19.968  -3.359 -10.035
  242    HA   LYS  30           HA       LYS  30  19.183  -2.232 -12.698
  243   1HB   LYS  30          HB2       LYS  30  18.612  -5.016 -11.637
  244   2HB   LYS  30          HB3       LYS  30  18.302  -4.422 -13.254
  245   1HG   LYS  30          HG2       LYS  30  21.053  -4.936 -12.024
  246   2HG   LYS  30          HG3       LYS  30  20.157  -6.019 -13.072
  247   1HD   LYS  30          HD2       LYS  30  21.699  -5.128 -14.482
  248   2HD   LYS  30          HD3       LYS  30  20.259  -4.180 -14.871
  249   1HE   LYS  30          HE2       LYS  30  21.130  -2.276 -13.605
  250   2HE   LYS  30          HE3       LYS  30  22.436  -3.269 -12.932
  251   1HZ   LYS  30          HZ1       LYS  30  23.345  -3.486 -15.165
  252   2HZ   LYS  30          HZ2       LYS  30  22.146  -2.569 -15.799
  253   3HZ   LYS  30          HZ3       LYS  30  23.224  -1.907 -14.764
  254    HA   PRO  31           HA       PRO  31  15.227  -1.482 -10.540
  255   1HB   PRO  31          HB2       PRO  31  13.568  -1.255 -12.724
  256   2HB   PRO  31          HB3       PRO  31  14.667   0.050 -12.181
  257   1HG   PRO  31          HG2       PRO  31  15.109  -1.992 -14.369
  258   2HG   PRO  31          HG3       PRO  31  15.400  -0.220 -14.422
  259   1HD   PRO  31          HD2       PRO  31  17.394  -2.026 -13.960
  260   2HD   PRO  31          HD3       PRO  31  17.384  -0.422 -13.172
  261    H    THR  32           H        THR  32  13.024  -2.621 -10.588
  262    HA   THR  32           HA       THR  32  13.368  -5.490 -11.275
  263    HB   THR  32           HB       THR  32  12.608  -4.325  -8.570
  264    HG1  THR  32           HG1      THR  32  14.611  -4.702  -7.976
  265   1HG2  THR  32          HG21      THR  32  11.498  -6.478  -8.817
  266   2HG2  THR  32          HG22      THR  32  12.991  -7.230  -9.422
  267   3HG2  THR  32          HG23      THR  32  12.882  -6.675  -7.738
  268    H    LEU  33           H        LEU  33  11.528  -6.644 -11.637
  269    HA   LEU  33           HA       LEU  33   8.912  -5.206 -11.744
  270   1HB   LEU  33          HB2       LEU  33   9.798  -5.442 -13.953
  271   2HB   LEU  33          HB3       LEU  33  10.295  -7.095 -13.687
  272    HG   LEU  33           HG       LEU  33   8.366  -7.962 -14.385
  273   1HD1  LEU  33          HD11      LEU  33   6.857  -7.620 -12.653
  274   2HD1  LEU  33          HD12      LEU  33   6.823  -5.838 -12.855
  275   3HD1  LEU  33          HD13      LEU  33   6.048  -6.919 -14.025
  276   1HD2  LEU  33          HD21      LEU  33   7.696  -5.131 -15.209
  277   2HD2  LEU  33          HD22      LEU  33   8.867  -6.186 -16.059
  278   3HD2  LEU  33          HD23      LEU  33   7.162  -6.622 -16.004
  279    H    ILE  34           H        ILE  34   7.540  -6.138 -10.333
  280    HA   ILE  34           HA       ILE  34   7.693  -9.075  -9.838
  281    HB   ILE  34           HB       ILE  34   6.549  -6.979  -7.941
  282   1HG1  ILE  34          HG12      ILE  34   8.999  -8.754  -7.586
  283   2HG1  ILE  34          HG13      ILE  34   9.076  -7.031  -7.970
  284   1HG2  ILE  34          HG21      ILE  34   5.333  -9.194  -7.951
  285   2HG2  ILE  34          HG22      ILE  34   6.877 -10.006  -7.604
  286   3HG2  ILE  34          HG23      ILE  34   6.136  -8.895  -6.434
  287   1HD1  ILE  34          HD11      ILE  34   8.036  -6.464  -5.846
  288   2HD1  ILE  34          HD12      ILE  34   7.884  -8.188  -5.416
  289   3HD1  ILE  34          HD13      ILE  34   9.476  -7.496  -5.629
  290    H    HIS  35           H        HIS  35   5.875 -10.118 -10.612
  291    HA   HIS  35           HA       HIS  35   3.429  -8.524 -11.064
  292   1HB   HIS  35          HB2       HIS  35   3.091  -9.486 -13.258
  293   2HB   HIS  35          HB3       HIS  35   4.570  -8.540 -13.241
  294    HD1  HIS  35           HD1      HIS  35   3.304 -12.073 -13.693
  295    HD2  HIS  35           HD2      HIS  35   6.957 -10.003 -13.363
  296    HE1  HIS  35           HE1      HIS  35   5.128 -13.730 -14.295
  297    H    PHE  36           H        PHE  36   1.592  -9.623 -10.856
  298    HA   PHE  36           HA       PHE  36   1.737 -12.335  -9.688
  299   1HB   PHE  36          HB2       PHE  36  -0.120  -9.980  -9.373
  300   2HB   PHE  36          HB3       PHE  36  -0.782 -11.606  -9.256
  301    HD1  PHE  36           HD1      PHE  36   0.886  -9.074  -7.296
  302    HD2  PHE  36           HD2      PHE  36   0.416 -13.308  -7.853
  303    HE1  PHE  36           HE1      PHE  36   1.412  -9.497  -4.887
  304    HE2  PHE  36           HE2      PHE  36   0.698 -13.679  -5.409
  305    HZ   PHE  36           HZ       PHE  36   1.208 -11.758  -3.940
  306    H    TRP  37           H        TRP  37   0.424 -13.961 -10.552
  307    HA   TRP  37           HA       TRP  37  -1.282 -13.566 -12.851
  308   1HB   TRP  37          HB2       TRP  37   0.003 -14.930 -14.397
  309   2HB   TRP  37          HB3       TRP  37   0.994 -13.571 -13.923
  310    HD1  TRP  37           HD1      TRP  37   2.915 -14.183 -11.953
  311    HE1  TRP  37           HE1      TRP  37   4.257 -16.316 -11.564
  312    HE3  TRP  37           HE3      TRP  37   0.087 -17.433 -14.721
  313    HZ2  TRP  37           HZ2      TRP  37   4.109 -19.120 -12.329
  314    HZ3  TRP  37           HZ3      TRP  37   0.727 -19.809 -14.903
  315    HH2  TRP  37           HH2      TRP  37   2.728 -20.677 -13.696
  316    H    SER  38           H        SER  38  -2.103 -15.906 -13.528
  317    HA   SER  38           HA       SER  38  -1.314 -18.042 -11.804
  318   1HB   SER  38          HB2       SER  38  -3.757 -18.605 -11.207
  319   2HB   SER  38          HB3       SER  38  -2.892 -17.379 -10.279
  320    HG   SER  38           HG       SER  38  -4.752 -16.402 -10.699
  321    H    ILE  39           H        ILE  39  -2.156 -20.077 -12.454
  322    HA   ILE  39           HA       ILE  39  -1.714 -20.465 -15.153
  323    HB   ILE  39           HB       ILE  39  -2.416 -22.856 -14.639
  324   1HG1  ILE  39          HG12      ILE  39  -2.857 -21.764 -11.816
  325   2HG1  ILE  39          HG13      ILE  39  -4.098 -22.414 -12.884
  326   1HG2  ILE  39          HG21      ILE  39  -0.106 -21.865 -14.406
  327   2HG2  ILE  39          HG22      ILE  39  -0.419 -21.693 -12.671
  328   3HG2  ILE  39          HG23      ILE  39  -0.429 -23.298 -13.441
  329   1HD1  ILE  39          HD11      ILE  39  -2.974 -24.620 -12.815
  330   2HD1  ILE  39          HD12      ILE  39  -1.755 -23.966 -11.695
  331   3HD1  ILE  39          HD13      ILE  39  -3.449 -24.060 -11.207
  332    H    SER  40           H        SER  40  -4.861 -19.678 -13.872
  333    HA   SER  40           HA       SER  40  -6.061 -20.382 -16.495
  334   1HB   SER  40          HB2       SER  40  -7.967 -21.476 -15.195
  335   2HB   SER  40          HB3       SER  40  -6.438 -22.354 -15.272
  336    HG   SER  40           HG       SER  40  -7.283 -22.362 -13.156
  337    H    CYS  41           H        CYS  41  -5.340 -17.795 -15.312
  338    HA   CYS  41           HA       CYS  41  -8.001 -16.575 -14.760
  339   1HB   CYS  41          HB2       CYS  41  -6.833 -15.541 -13.197
  340   2HB   CYS  41          HB3       CYS  41  -5.314 -16.129 -13.810
  341    H    HIS  42           H        HIS  42  -8.772 -14.829 -16.065
  342    HA   HIS  42           HA       HIS  42  -8.684 -15.720 -18.750
  343   1HB   HIS  42          HB2       HIS  42  -9.885 -13.114 -17.737
  344   2HB   HIS  42          HB3       HIS  42 -10.310 -13.975 -19.205
  345    HD1  HIS  42           HD1      HIS  42 -10.290 -16.449 -16.353
  346    HD2  HIS  42           HD2      HIS  42 -12.802 -13.539 -18.075
  347    HE1  HIS  42           HE1      HIS  42 -12.596 -16.816 -15.357
  348    H    LEU  43           H        LEU  43  -6.886 -13.199 -17.207
  349    HA   LEU  43           HA       LEU  43  -5.897 -12.153 -19.827
  350   1HB   LEU  43          HB2       LEU  43  -7.395 -10.845 -17.903
  351   2HB   LEU  43          HB3       LEU  43  -5.781 -10.459 -17.364
  352    HG   LEU  43           HG       LEU  43  -6.968  -8.794 -18.802
  353   1HD1  LEU  43          HD11      LEU  43  -4.582  -8.612 -18.502
  354   2HD1  LEU  43          HD12      LEU  43  -4.280  -9.743 -19.843
  355   3HD1  LEU  43          HD13      LEU  43  -5.024  -8.165 -20.155
  356   1HD2  LEU  43          HD21      LEU  43  -7.597 -10.850 -20.527
  357   2HD2  LEU  43          HD22      LEU  43  -7.675  -9.132 -20.904
  358   3HD2  LEU  43          HD23      LEU  43  -6.246 -10.067 -21.375
  359    H    CYS  44           H        CYS  44  -5.070 -13.643 -16.801
  360    HA   CYS  44           HA       CYS  44  -2.261 -13.144 -16.795
  361   1HB   CYS  44          HB2       CYS  44  -3.733 -15.671 -15.956
  362   2HB   CYS  44          HB3       CYS  44  -2.100 -15.198 -15.523
  363    H    LYS  45           H        LYS  45  -4.363 -15.369 -18.727
  364    HA   LYS  45           HA       LYS  45  -2.135 -16.749 -19.829
  365   1HB   LYS  45          HB2       LYS  45  -3.559 -18.016 -20.883
  366   2HB   LYS  45          HB3       LYS  45  -4.778 -17.247 -19.899
  367   1HG   LYS  45          HG2       LYS  45  -4.064 -16.477 -22.772
  368   2HG   LYS  45          HG3       LYS  45  -5.364 -17.553 -22.299
  369   1HD   LYS  45          HD2       LYS  45  -6.617 -15.860 -21.259
  370   2HD   LYS  45          HD3       LYS  45  -5.284 -14.681 -21.306
  371   1HE   LYS  45          HE2       LYS  45  -5.423 -14.403 -23.645
  372   2HE   LYS  45          HE3       LYS  45  -6.312 -15.908 -23.881
  373   1HZ   LYS  45          HZ1       LYS  45  -8.255 -14.921 -22.951
  374   2HZ   LYS  45          HZ2       LYS  45  -7.478 -13.557 -22.502
  375   3HZ   LYS  45          HZ3       LYS  45  -7.701 -13.900 -24.095
  376    H    GLU  46           H        GLU  46  -3.066 -13.481 -20.413
  377    HA   GLU  46           HA       GLU  46  -1.436 -13.353 -22.900
  378   1HB   GLU  46          HB2       GLU  46  -2.949 -11.223 -21.323
  379   2HB   GLU  46          HB3       GLU  46  -1.942 -10.893 -22.721
  380   1HG   GLU  46          HG2       GLU  46  -4.399 -12.692 -22.740
  381   2HG   GLU  46          HG3       GLU  46  -4.372 -11.013 -23.250
  382    H    ALA  47           H        ALA  47  -1.382 -12.542 -19.399
  383    HA   ALA  47           HA       ALA  47   1.095 -11.159 -19.420
  384   1HB   ALA  47          HB1       ALA  47  -0.484 -11.215 -17.470
  385   2HB   ALA  47          HB2       ALA  47   0.015 -12.900 -17.166
  386   3HB   ALA  47          HB3       ALA  47   1.197 -11.594 -17.046
  387    H    MET  48           H        MET  48   0.436 -14.645 -18.860
  388    HA   MET  48           HA       MET  48   2.952 -15.520 -18.259
  389   1HB   MET  48          HB2       MET  48   0.669 -16.838 -19.748
  390   2HB   MET  48          HB3       MET  48   2.124 -17.735 -19.306
  391   1HG   MET  48          HG2       MET  48   1.657 -17.671 -17.049
  392   2HG   MET  48          HG3       MET  48   0.861 -16.112 -17.127
  393   1HE   MET  48          HE1       MET  48  -0.263 -19.188 -19.468
  394   2HE   MET  48          HE2       MET  48   0.507 -19.872 -18.020
  395   3HE   MET  48          HE3       MET  48  -1.247 -20.068 -18.277
  396    HA   PRO  49           HA       PRO  49   4.422 -16.164 -22.725
  397   1HB   PRO  49          HB2       PRO  49   3.180 -14.842 -24.830
  398   2HB   PRO  49          HB3       PRO  49   2.847 -16.526 -24.329
  399   1HG   PRO  49          HG2       PRO  49   1.318 -14.021 -23.615
  400   2HG   PRO  49          HG3       PRO  49   0.671 -15.612 -24.117
  401   1HD   PRO  49          HD2       PRO  49   0.768 -14.901 -21.506
  402   2HD   PRO  49          HD3       PRO  49   1.123 -16.574 -22.013
  403    H    GLN  50           H        GLN  50   2.932 -12.883 -22.151
  404    HA   GLN  50           HA       GLN  50   5.100 -11.550 -23.469
  405   1HB   GLN  50          HB2       GLN  50   2.660 -10.715 -22.835
  406   2HB   GLN  50          HB3       GLN  50   3.481 -10.121 -21.375
  407   1HG   GLN  50          HG2       GLN  50   5.149  -8.956 -22.847
  408   2HG   GLN  50          HG3       GLN  50   4.283  -9.551 -24.270
  409   1HE2  GLN  50          HE22      GLN  50   1.551  -9.029 -22.951
  410   2HE2  GLN  50          HE21      GLN  50   1.371  -7.314 -23.020
  411    H    VAL  51           H        VAL  51   4.516 -12.573 -20.157
  412    HA   VAL  51           HA       VAL  51   6.674 -11.336 -18.818
  413    HB   VAL  51           HB       VAL  51   4.978 -13.810 -18.433
  414   1HG1  VAL  51          HG11      VAL  51   7.176 -14.437 -17.516
  415   2HG1  VAL  51          HG12      VAL  51   7.167 -12.958 -16.529
  416   3HG1  VAL  51          HG13      VAL  51   5.937 -14.236 -16.281
  417   1HG2  VAL  51          HG21      VAL  51   5.316 -11.353 -16.668
  418   2HG2  VAL  51          HG22      VAL  51   4.105 -11.451 -17.947
  419   3HG2  VAL  51          HG23      VAL  51   4.036 -12.589 -16.598
  420    H    ASN  52           H        ASN  52   6.447 -14.625 -20.340
  421    HA   ASN  52           HA       ASN  52   9.168 -15.308 -20.132
  422   1HB   ASN  52          HB2       ASN  52   7.943 -17.070 -20.879
  423   2HB   ASN  52          HB3       ASN  52   6.886 -16.103 -21.890
  424   1HD2  ASN  52          HD22      ASN  52   7.262 -16.064 -24.101
  425   2HD2  ASN  52          HD21      ASN  52   8.702 -16.702 -24.862
  426    H    GLU  53           H        GLU  53   7.526 -13.415 -22.712
  427    HA   GLU  53           HA       GLU  53   9.788 -13.087 -24.361
  428   1HB   GLU  53          HB2       GLU  53   7.186 -11.596 -24.012
  429   2HB   GLU  53          HB3       GLU  53   8.452 -10.890 -24.994
  430   1HG   GLU  53          HG2       GLU  53   8.558 -13.015 -26.330
  431   2HG   GLU  53          HG3       GLU  53   7.158 -13.605 -25.429
  432    H    PHE  54           H        PHE  54   8.514 -10.538 -22.009
  433    HA   PHE  54           HA       PHE  54  10.916  -9.065 -22.558
  434   1HB   PHE  54          HB2       PHE  54  10.252  -7.481 -20.876
  435   2HB   PHE  54          HB3       PHE  54   9.085  -7.771 -22.133
  436    HD1  PHE  54           HD1      PHE  54   9.380  -9.831 -18.928
  437    HD2  PHE  54           HD2      PHE  54   7.308  -6.716 -21.085
  438    HE1  PHE  54           HE1      PHE  54   7.649  -9.787 -17.196
  439    HE2  PHE  54           HE2      PHE  54   5.569  -6.683 -19.339
  440    HZ   PHE  54           HZ       PHE  54   5.724  -8.258 -17.391
  441    H    ARG  55           H        ARG  55  10.284 -11.595 -20.268
  442    HA   ARG  55           HA       ARG  55  12.484 -11.026 -18.511
  443   1HB   ARG  55          HB2       ARG  55  10.602 -12.510 -18.007
  444   2HB   ARG  55          HB3       ARG  55  11.099 -13.642 -19.251
  445   1HG   ARG  55          HG2       ARG  55  12.605 -12.946 -16.693
  446   2HG   ARG  55          HG3       ARG  55  11.547 -14.328 -16.968
  447   1HD   ARG  55          HD2       ARG  55  14.309 -13.888 -18.101
  448   2HD   ARG  55          HD3       ARG  55  13.720 -15.170 -17.042
  449    HE   ARG  55           HE       ARG  55  12.339 -15.046 -19.612
  450   1HH1  ARG  55          HH11      ARG  55  15.079 -16.490 -17.883
  451   2HH1  ARG  55          HH12      ARG  55  15.341 -17.731 -19.053
  452   1HH2  ARG  55          HH21      ARG  55  12.707 -16.637 -21.199
  453   2HH2  ARG  55          HH22      ARG  55  13.965 -17.795 -21.005
  454    H    ASP  56           H        ASP  56  12.255 -12.831 -21.656
  455    HA   ASP  56           HA       ASP  56  15.094 -13.479 -21.614
  456   1HB   ASP  56          HB2       ASP  56  13.523 -14.796 -22.945
  457   2HB   ASP  56          HB3       ASP  56  13.095 -13.375 -23.903
  458    H    LYS  57           H        LYS  57  13.104 -10.869 -23.124
  459    HA   LYS  57           HA       LYS  57  15.245  -9.722 -24.584
  460   1HB   LYS  57          HB2       LYS  57  12.746  -8.363 -23.512
  461   2HB   LYS  57          HB3       LYS  57  13.826  -7.678 -24.721
  462   1HG   LYS  57          HG2       LYS  57  13.303  -9.396 -26.340
  463   2HG   LYS  57          HG3       LYS  57  12.413 -10.333 -25.151
  464   1HD   LYS  57          HD2       LYS  57  10.883  -8.221 -24.922
  465   2HD   LYS  57          HD3       LYS  57  11.609  -7.709 -26.448
  466   1HE   LYS  57          HE2       LYS  57  10.765 -10.536 -26.536
  467   2HE   LYS  57          HE3       LYS  57   9.445  -9.506 -25.977
  468   1HZ   LYS  57          HZ1       LYS  57   9.676  -8.185 -27.980
  469   2HZ   LYS  57          HZ2       LYS  57  10.885  -9.152 -28.532
  470   3HZ   LYS  57          HZ3       LYS  57   9.372  -9.745 -28.334
  471    H    TYR  58           H        TYR  58  14.199  -9.058 -21.214
  472    HA   TYR  58           HA       TYR  58  16.352  -7.011 -21.040
  473   1HB   TYR  58          HB2       TYR  58  13.761  -7.055 -19.503
  474   2HB   TYR  58          HB3       TYR  58  14.929  -5.750 -19.593
  475    HD1  TYR  58           HD1      TYR  58  15.420  -5.546 -22.574
  476    HD2  TYR  58           HD2      TYR  58  11.803  -6.056 -20.291
  477    HE1  TYR  58           HE1      TYR  58  14.114  -4.666 -24.470
  478    HE2  TYR  58           HE2      TYR  58  10.474  -5.166 -22.188
  479    HH   TYR  58           HH       TYR  58  11.972  -4.224 -25.325
  480    H    GLN  59           H        GLN  59  15.966 -10.123 -19.890
  481    HA   GLN  59           HA       GLN  59  16.215 -10.100 -17.217
  482   1HB   GLN  59          HB2       GLN  59  17.973 -12.033 -17.534
  483   2HB   GLN  59          HB3       GLN  59  16.301 -12.221 -17.962
  484   1HG   GLN  59          HG2       GLN  59  17.739 -13.242 -19.634
  485   2HG   GLN  59          HG3       GLN  59  16.809 -11.950 -20.341
  486   1HE2  GLN  59          HE22      GLN  59  17.929 -10.606 -21.708
  487   2HE2  GLN  59          HE21      GLN  59  19.652 -10.310 -21.629
  488    H    ASP  60           H        ASP  60  18.944  -9.066 -19.288
  489    HA   ASP  60           HA       ASP  60  20.785  -8.974 -17.012
  490   1HB   ASP  60          HB2       ASP  60  21.504  -9.597 -19.286
  491   2HB   ASP  60          HB3       ASP  60  21.058  -7.993 -19.877
  492    H    GLN  61           H        GLN  61  18.388  -6.898 -18.193
  493    HA   GLN  61           HA       GLN  61  19.734  -4.360 -17.379
  494   1HB   GLN  61          HB2       GLN  61  17.350  -4.904 -19.192
  495   2HB   GLN  61          HB3       GLN  61  18.068  -3.327 -18.901
  496   1HG   GLN  61          HG2       GLN  61  19.815  -3.678 -20.350
  497   2HG   GLN  61          HG3       GLN  61  19.958  -5.387 -19.992
  498   1HE2  GLN  61          HE22      GLN  61  19.341  -6.751 -21.669
  499   2HE2  GLN  61          HE21      GLN  61  18.097  -6.390 -22.838
  500    H    LEU  62           H        LEU  62  17.149  -6.592 -16.708
  501    HA   LEU  62           HA       LEU  62  15.766  -4.806 -14.775
  502   1HB   LEU  62          HB2       LEU  62  14.617  -4.867 -17.039
  503   2HB   LEU  62          HB3       LEU  62  14.633  -6.614 -16.967
  504    HG   LEU  62           HG       LEU  62  13.185  -6.506 -14.898
  505   1HD1  LEU  62          HD11      LEU  62  13.639  -4.179 -14.189
  506   2HD1  LEU  62          HD12      LEU  62  12.917  -3.569 -15.694
  507   3HD1  LEU  62          HD13      LEU  62  11.920  -4.421 -14.494
  508   1HD2  LEU  62          HD21      LEU  62  12.234  -5.359 -17.534
  509   2HD2  LEU  62          HD22      LEU  62  12.267  -7.055 -17.060
  510   3HD2  LEU  62          HD23      LEU  62  11.145  -5.950 -16.250
  511    H    ASN  63           H        ASN  63  15.610  -5.904 -12.864
  512    HA   ASN  63           HA       ASN  63  16.080  -8.798 -12.637
  513   1HB   ASN  63          HB2       ASN  63  15.017  -6.650 -10.774
  514   2HB   ASN  63          HB3       ASN  63  15.070  -8.330 -10.312
  515   1HD2  ASN  63          HD22      ASN  63  16.501  -5.727  -9.444
  516   2HD2  ASN  63          HD21      ASN  63  18.149  -6.323  -9.226
  517    H    VAL  64           H        VAL  64  14.453 -10.321 -13.009
  518    HA   VAL  64           HA       VAL  64  11.628  -9.340 -12.954
  519    HB   VAL  64           HB       VAL  64  12.639 -11.607 -14.702
  520   1HG1  VAL  64          HG11      VAL  64  10.193 -11.595 -14.070
  521   2HG1  VAL  64          HG12      VAL  64  10.052  -9.975 -14.772
  522   3HG1  VAL  64          HG13      VAL  64  10.458 -11.363 -15.801
  523   1HG2  VAL  64          HG21      VAL  64  12.175  -8.686 -15.414
  524   2HG2  VAL  64          HG22      VAL  64  13.673  -9.623 -15.636
  525   3HG2  VAL  64          HG23      VAL  64  12.251  -9.984 -16.617
  526    H    VAL  65           H        VAL  65  10.403 -10.307 -11.515
  527    HA   VAL  65           HA       VAL  65  10.912 -13.042 -10.629
  528    HB   VAL  65           HB       VAL  65  12.121 -12.122  -8.911
  529   1HG1  VAL  65          HG11      VAL  65  12.118  -9.791  -9.325
  530   2HG1  VAL  65          HG12      VAL  65  10.386  -9.653  -8.985
  531   3HG1  VAL  65          HG13      VAL  65  11.539  -9.985  -7.670
  532   1HG2  VAL  65          HG21      VAL  65   9.329 -11.837  -7.746
  533   2HG2  VAL  65          HG22      VAL  65  10.218 -13.370  -7.943
  534   3HG2  VAL  65          HG23      VAL  65  10.839 -12.116  -6.862
  535    H    ALA  66           H        ALA  66   8.919 -13.931  -9.782
  536    HA   ALA  66           HA       ALA  66   6.465 -12.451 -10.641
  537   1HB   ALA  66          HB1       ALA  66   7.394 -13.945 -12.414
  538   2HB   ALA  66          HB2       ALA  66   7.315 -15.298 -11.287
  539   3HB   ALA  66          HB3       ALA  66   5.811 -14.499 -11.824
  540    H    VAL  67           H        VAL  67   4.498 -13.444  -9.742
  541    HA   VAL  67           HA       VAL  67   4.940 -15.313  -7.487
  542    HB   VAL  67           HB       VAL  67   3.171 -12.868  -7.272
  543   1HG1  VAL  67          HG11      VAL  67   2.658 -14.801  -5.791
  544   2HG1  VAL  67          HG12      VAL  67   4.311 -14.803  -5.190
  545   3HG1  VAL  67          HG13      VAL  67   3.262 -13.430  -4.844
  546   1HG2  VAL  67          HG21      VAL  67   6.012 -13.067  -6.222
  547   2HG2  VAL  67          HG22      VAL  67   5.384 -11.928  -7.435
  548   3HG2  VAL  67          HG23      VAL  67   4.817 -11.830  -5.778
  549    H    HIS  68           H        HIS  68   3.716 -17.045  -7.956
  550    HA   HIS  68           HA       HIS  68   1.332 -16.860  -9.644
  551   1HB   HIS  68          HB2       HIS  68   2.772 -18.886  -9.600
  552   2HB   HIS  68          HB3       HIS  68   2.369 -19.128  -7.897
  553    HD1  HIS  68           HD1      HIS  68  -0.190 -20.015  -7.415
  554    HD2  HIS  68           HD2      HIS  68   0.839 -19.274 -11.429
  555    HE1  HIS  68           HE1      HIS  68  -2.128 -20.846  -8.821
  556    H    MET  69           H        MET  69  -0.751 -16.678  -8.861
  557    HA   MET  69           HA       MET  69  -1.169 -16.147  -5.944
  558   1HB   MET  69          HB2       MET  69  -1.231 -14.127  -6.931
  559   2HB   MET  69          HB3       MET  69  -1.959 -14.675  -8.439
  560   1HG   MET  69          HG2       MET  69  -3.417 -13.232  -7.241
  561   2HG   MET  69          HG3       MET  69  -4.125 -14.841  -7.227
  562   1HE   MET  69          HE1       MET  69  -5.506 -12.980  -5.584
  563   2HE   MET  69          HE2       MET  69  -5.763 -14.706  -5.253
  564   3HE   MET  69          HE3       MET  69  -5.495 -13.577  -3.908
  565    HA   PRO  70           HA       PRO  70  -3.868 -19.676  -6.994
  566   1HB   PRO  70          HB2       PRO  70  -4.240 -19.898  -4.072
  567   2HB   PRO  70          HB3       PRO  70  -3.683 -21.107  -5.279
  568   1HG   PRO  70          HG2       PRO  70  -1.990 -19.918  -3.446
  569   2HG   PRO  70          HG3       PRO  70  -1.473 -20.506  -5.057
  570   1HD   PRO  70          HD2       PRO  70  -2.091 -17.688  -4.195
  571   2HD   PRO  70          HD3       PRO  70  -0.819 -18.291  -5.296
  572    H    ARG  71           H        ARG  71  -6.088 -19.680  -7.176
  573    HA   ARG  71           HA       ARG  71  -7.671 -17.562  -5.740
  574   1HB   ARG  71          HB2       ARG  71  -7.933 -18.618  -8.570
  575   2HB   ARG  71          HB3       ARG  71  -9.076 -17.513  -7.816
  576   1HG   ARG  71          HG2       ARG  71  -7.405 -15.747  -7.638
  577   2HG   ARG  71          HG3       ARG  71  -6.140 -16.814  -8.265
  578   1HD   ARG  71          HD2       ARG  71  -8.620 -15.893  -9.758
  579   2HD   ARG  71          HD3       ARG  71  -6.964 -15.341 -10.050
  580    HE   ARG  71           HE       ARG  71  -6.546 -17.913 -10.438
  581   1HH1  ARG  71          HH11      ARG  71  -9.315 -16.056 -11.681
  582   2HH1  ARG  71          HH12      ARG  71  -9.787 -17.284 -12.802
  583   1HH2  ARG  71          HH21      ARG  71  -7.190 -19.533 -11.796
  584   2HH2  ARG  71          HH22      ARG  71  -8.405 -19.249 -13.011
  585    H    SER  72           H        SER  72  -7.453 -20.957  -6.609
  586    HA   SER  72           HA       SER  72 -10.057 -21.588  -5.404
  587   1HB   SER  72          HB2       SER  72  -9.312 -22.420  -8.247
  588   2HB   SER  72          HB3       SER  72 -10.837 -22.723  -7.409
  589    HG   SER  72           HG       SER  72 -10.964 -20.987  -8.933
  590    H    GLU  73           H        GLU  73 -10.240 -24.046  -5.275
  591    HA   GLU  73           HA       GLU  73  -7.904 -25.241  -4.256
  592   1HB   GLU  73          HB2       GLU  73  -9.946 -27.082  -5.414
  593   2HB   GLU  73          HB3       GLU  73  -9.121 -27.105  -3.858
  594   1HG   GLU  73          HG2       GLU  73 -10.634 -25.283  -3.059
  595   2HG   GLU  73          HG3       GLU  73 -11.421 -25.268  -4.646
  596    H    ASP  74           H        ASP  74  -9.418 -25.401  -7.446
  597    HA   ASP  74           HA       ASP  74  -7.656 -27.256  -8.724
  598   1HB   ASP  74          HB2       ASP  74  -9.981 -26.725  -9.403
  599   2HB   ASP  74          HB3       ASP  74  -9.487 -25.086  -9.827
  600    H    ASP  75           H        ASP  75  -6.961 -24.187  -7.602
  601    HA   ASP  75           HA       ASP  75  -5.119 -23.422  -9.815
  602   1HB   ASP  75          HB2       ASP  75  -7.189 -22.013  -8.932
  603   2HB   ASP  75          HB3       ASP  75  -6.075 -21.577  -7.645
  604    H    LEU  76           H        LEU  76  -5.289 -24.601  -6.541
  605    HA   LEU  76           HA       LEU  76  -2.848 -23.470  -5.496
  606   1HB   LEU  76          HB2       LEU  76  -4.015 -26.163  -4.729
  607   2HB   LEU  76          HB3       LEU  76  -2.993 -25.119  -3.760
  608    HG   LEU  76           HG       LEU  76  -5.879 -24.557  -4.487
  609   1HD1  LEU  76          HD11      LEU  76  -5.630 -26.507  -3.006
  610   2HD1  LEU  76          HD12      LEU  76  -4.659 -25.534  -1.879
  611   3HD1  LEU  76          HD13      LEU  76  -6.374 -25.146  -2.152
  612   1HD2  LEU  76          HD21      LEU  76  -4.022 -23.101  -2.567
  613   2HD2  LEU  76          HD22      LEU  76  -4.761 -22.473  -4.062
  614   3HD2  LEU  76          HD23      LEU  76  -5.782 -22.850  -2.684
  615    H    ASP  77           H        ASP  77  -3.531 -26.083  -7.691
  616    HA   ASP  77           HA       ASP  77  -2.011 -28.125  -6.773
  617   1HB   ASP  77          HB2       ASP  77  -3.728 -28.207  -8.530
  618   2HB   ASP  77          HB3       ASP  77  -2.567 -27.585  -9.699
  619    HA   PRO  78           HA       PRO  78   2.142 -26.351  -7.265
  620   1HB   PRO  78          HB2       PRO  78   2.901 -29.185  -6.520
  621   2HB   PRO  78          HB3       PRO  78   3.573 -27.651  -5.907
  622   1HG   PRO  78          HG2       PRO  78   1.793 -29.064  -4.426
  623   2HG   PRO  78          HG3       PRO  78   1.645 -27.282  -4.533
  624   1HD   PRO  78          HD2       PRO  78   0.086 -29.379  -6.040
  625   2HD   PRO  78          HD3       PRO  78  -0.486 -27.875  -5.261
  626    H    GLY  79           H        GLY  79   1.111 -29.486  -8.610
  627   1HA   GLY  79          HA2       GLY  79   3.314 -29.878 -10.422
  628   2HA   GLY  79          HA3       GLY  79   1.734 -30.691 -10.436
  629    H    LYS  80           H        LYS  80  -0.104 -28.630 -10.834
  630    HA   LYS  80           HA       LYS  80   0.411 -28.126 -13.622
  631   1HB   LYS  80          HB2       LYS  80  -1.886 -28.490 -12.723
  632   2HB   LYS  80          HB3       LYS  80  -1.831 -26.866 -11.997
  633   1HG   LYS  80          HG2       LYS  80  -1.536 -25.839 -14.180
  634   2HG   LYS  80          HG3       LYS  80  -1.280 -27.405 -14.955
  635   1HD   LYS  80          HD2       LYS  80  -3.608 -28.020 -14.636
  636   2HD   LYS  80          HD3       LYS  80  -3.925 -26.523 -13.727
  637   1HE   LYS  80          HE2       LYS  80  -3.290 -25.163 -15.693
  638   2HE   LYS  80          HE3       LYS  80  -2.856 -26.619 -16.594
  639   1HZ   LYS  80          HZ1       LYS  80  -5.182 -27.281 -16.545
  640   2HZ   LYS  80          HZ2       LYS  80  -5.600 -25.949 -15.684
  641   3HZ   LYS  80          HZ3       LYS  80  -5.038 -25.801 -17.211
  642    H    ILE  81           H        ILE  81   0.734 -26.026 -10.704
  643    HA   ILE  81           HA       ILE  81   1.240 -23.623 -12.132
  644    HB   ILE  81           HB       ILE  81   2.402 -24.533  -9.479
  645   1HG1  ILE  81          HG12      ILE  81   0.058 -22.649  -9.976
  646   2HG1  ILE  81          HG13      ILE  81  -0.201 -24.349  -9.743
  647   1HG2  ILE  81          HG21      ILE  81   3.684 -22.638 -10.470
  648   2HG2  ILE  81          HG22      ILE  81   2.184 -21.739 -10.714
  649   3HG2  ILE  81          HG23      ILE  81   2.765 -22.090  -9.075
  650   1HD1  ILE  81          HD11      ILE  81   0.920 -24.246  -7.519
  651   2HD1  ILE  81          HD12      ILE  81   1.060 -22.485  -7.713
  652   3HD1  ILE  81          HD13      ILE  81  -0.533 -23.236  -7.634
  653    H    LYS  82           H        LYS  82   3.561 -26.180 -11.061
  654    HA   LYS  82           HA       LYS  82   5.868 -25.105 -12.312
  655   1HB   LYS  82          HB2       LYS  82   6.141 -26.836 -10.707
  656   2HB   LYS  82          HB3       LYS  82   4.954 -27.872 -11.481
  657   1HG   LYS  82          HG2       LYS  82   7.092 -28.837 -11.813
  658   2HG   LYS  82          HG3       LYS  82   6.478 -28.302 -13.366
  659   1HD   LYS  82          HD2       LYS  82   7.959 -26.196 -13.069
  660   2HD   LYS  82          HD3       LYS  82   8.653 -27.032 -11.659
  661   1HE   LYS  82          HE2       LYS  82   9.058 -29.028 -13.255
  662   2HE   LYS  82          HE3       LYS  82   8.655 -27.927 -14.578
  663   1HZ   LYS  82          HZ1       LYS  82  10.524 -26.510 -13.811
  664   2HZ   LYS  82          HZ2       LYS  82  10.907 -27.626 -12.672
  665   3HZ   LYS  82          HZ3       LYS  82  11.019 -28.005 -14.251
  666    H    GLU  83           H        GLU  83   3.465 -27.492 -13.625
  667    HA   GLU  83           HA       GLU  83   4.989 -27.794 -16.002
  668   1HB   GLU  83          HB2       GLU  83   2.129 -28.566 -15.319
  669   2HB   GLU  83          HB3       GLU  83   2.863 -28.867 -16.900
  670   1HG   GLU  83          HG2       GLU  83   4.812 -29.995 -15.630
  671   2HG   GLU  83          HG3       GLU  83   3.764 -29.992 -14.222
  672    H    THR  84           H        THR  84   2.067 -25.686 -15.399
  673    HA   THR  84           HA       THR  84   2.007 -24.760 -18.095
  674    HB   THR  84           HB       THR  84   1.113 -23.350 -15.563
  675    HG1  THR  84           HG1      THR  84  -0.767 -24.457 -15.810
  676   1HG2  THR  84          HG21      THR  84   1.120 -21.893 -17.585
  677   2HG2  THR  84          HG22      THR  84   0.122 -23.083 -18.445
  678   3HG2  THR  84          HG23      THR  84  -0.527 -22.225 -17.028
  679    H    ALA  85           H        ALA  85   3.932 -23.683 -15.220
  680    HA   ALA  85           HA       ALA  85   5.039 -21.392 -16.509
  681   1HB   ALA  85          HB1       ALA  85   5.219 -21.732 -14.084
  682   2HB   ALA  85          HB2       ALA  85   6.260 -23.152 -14.338
  683   3HB   ALA  85          HB3       ALA  85   6.820 -21.541 -14.816
  684    H    ALA  86           H        ALA  86   6.015 -24.866 -16.572
  685    HA   ALA  86           HA       ALA  86   8.370 -24.410 -18.158
  686   1HB   ALA  86          HB1       ALA  86   7.981 -26.483 -16.855
  687   2HB   ALA  86          HB2       ALA  86   6.645 -26.919 -17.947
  688   3HB   ALA  86          HB3       ALA  86   8.299 -26.819 -18.569
  689    H    GLU  87           H        GLU  87   4.973 -25.237 -19.022
  690    HA   GLU  87           HA       GLU  87   5.292 -25.603 -21.785
  691   1HB   GLU  87          HB2       GLU  87   2.958 -24.531 -20.158
  692   2HB   GLU  87          HB3       GLU  87   2.827 -24.888 -21.861
  693   1HG   GLU  87          HG2       GLU  87   3.859 -27.080 -20.063
  694   2HG   GLU  87          HG3       GLU  87   2.165 -26.634 -19.911
  695    H    HIS  88           H        HIS  88   4.717 -22.584 -19.949
  696    HA   HIS  88           HA       HIS  88   4.820 -20.983 -22.442
  697   1HB   HIS  88          HB2       HIS  88   3.939 -20.426 -19.607
  698   2HB   HIS  88          HB3       HIS  88   4.137 -19.136 -20.793
  699    HD1  HIS  88           HD1      HIS  88   2.276 -18.983 -22.732
  700    HD2  HIS  88           HD2      HIS  88   1.880 -22.168 -20.007
  701    HE1  HIS  88           HE1      HIS  88  -0.049 -19.952 -23.095
  702    H    ASP  89           H        ASP  89   7.186 -22.277 -20.703
  703    HA   ASP  89           HA       ASP  89   9.300 -21.827 -20.178
  704   1HB   ASP  89          HB2       ASP  89   9.246 -21.606 -22.657
  705   2HB   ASP  89          HB3       ASP  89   9.168 -19.855 -22.476
  706    H    ILE  90           H        ILE  90   7.719 -20.612 -18.413
  707    HA   ILE  90           HA       ILE  90   8.491 -17.820 -17.962
  708    HB   ILE  90           HB       ILE  90   6.735 -19.536 -16.168
  709   1HG1  ILE  90          HG12      ILE  90   5.789 -18.041 -18.648
  710   2HG1  ILE  90          HG13      ILE  90   5.717 -19.783 -18.354
  711   1HG2  ILE  90          HG21      ILE  90   7.615 -17.280 -15.470
  712   2HG2  ILE  90          HG22      ILE  90   6.671 -16.564 -16.794
  713   3HG2  ILE  90          HG23      ILE  90   5.858 -17.403 -15.448
  714   1HD1  ILE  90          HD11      ILE  90   4.235 -19.289 -16.330
  715   2HD1  ILE  90          HD12      ILE  90   4.113 -17.626 -16.948
  716   3HD1  ILE  90          HD13      ILE  90   3.526 -18.980 -17.919
  717    H    THR  91           H        THR  91  10.839 -18.658 -17.818
  718    HA   THR  91           HA       THR  91  11.402 -20.381 -15.544
  719    HB   THR  91           HB       THR  91  13.676 -20.440 -16.795
  720    HG1  THR  91           HG1      THR  91  13.383 -19.859 -19.027
  721   1HG2  THR  91          HG21      THR  91  11.963 -22.229 -16.848
  722   2HG2  THR  91          HG22      THR  91  11.108 -21.388 -18.158
  723   3HG2  THR  91          HG23      THR  91  12.744 -22.035 -18.421
  724    H    GLN  92           H        GLN  92  11.189 -17.122 -15.457
  725    HA   GLN  92           HA       GLN  92  13.583 -16.508 -13.930
  726   1HB   GLN  92          HB2       GLN  92  12.493 -14.490 -13.302
  727   2HB   GLN  92          HB3       GLN  92  12.210 -14.735 -14.980
  728   1HG   GLN  92          HG2       GLN  92  10.147 -15.425 -12.830
  729   2HG   GLN  92          HG3       GLN  92  10.327 -13.827 -13.503
  730   1HE2  GLN  92          HE22      GLN  92   8.015 -14.100 -14.050
  731   2HE2  GLN  92          HE21      GLN  92   7.612 -14.982 -15.498
  732    HA   PRO  93           HA       PRO  93  12.376 -17.995  -9.797
  733   1HB   PRO  93          HB2       PRO  93  12.544 -15.081  -9.012
  734   2HB   PRO  93          HB3       PRO  93  13.179 -16.510  -8.140
  735   1HG   PRO  93          HG2       PRO  93  14.837 -14.943  -9.612
  736   2HG   PRO  93          HG3       PRO  93  14.993 -16.728  -9.707
  737   1HD   PRO  93          HD2       PRO  93  13.617 -14.819 -11.578
  738   2HD   PRO  93          HD3       PRO  93  14.676 -16.206 -11.980
  739    H    ILE  94           H        ILE  94  10.361 -18.487  -9.153
  740    HA   ILE  94           HA       ILE  94   8.131 -16.529  -9.436
  741    HB   ILE  94           HB       ILE  94   8.294 -19.487 -10.120
  742   1HG1  ILE  94          HG12      ILE  94   8.694 -17.223 -11.735
  743   2HG1  ILE  94          HG13      ILE  94   8.540 -18.890 -12.227
  744   1HG2  ILE  94          HG21      ILE  94   6.246 -19.281  -8.920
  745   2HG2  ILE  94          HG22      ILE  94   5.779 -17.820  -9.803
  746   3HG2  ILE  94          HG23      ILE  94   5.853 -19.401 -10.626
  747   1HD1  ILE  94          HD11      ILE  94   6.304 -18.607 -12.905
  748   2HD1  ILE  94          HD12      ILE  94   6.100 -17.105 -11.965
  749   3HD1  ILE  94          HD13      ILE  94   7.127 -17.109 -13.382
  750    H    PHE  95           H        PHE  95   7.544 -16.016  -7.385
  751    HA   PHE  95           HA       PHE  95   7.761 -17.889  -5.114
  752   1HB   PHE  95          HB2       PHE  95   6.410 -15.228  -5.633
  753   2HB   PHE  95          HB3       PHE  95   5.996 -16.193  -4.224
  754    HD1  PHE  95           HD1      PHE  95   7.270 -16.094  -2.250
  755    HD2  PHE  95           HD2      PHE  95   8.864 -14.465  -5.920
  756    HE1  PHE  95           HE1      PHE  95   9.117 -15.037  -0.981
  757    HE2  PHE  95           HE2      PHE  95  10.724 -13.427  -4.641
  758    HZ   PHE  95           HZ       PHE  95  10.843 -13.702  -2.175
  759    H    VAL  96           H        VAL  96   5.945 -19.131  -4.365
  760    HA   VAL  96           HA       VAL  96   3.425 -18.850  -5.924
  761    HB   VAL  96           HB       VAL  96   4.459 -21.407  -4.632
  762   1HG1  VAL  96          HG11      VAL  96   2.010 -21.212  -4.565
  763   2HG1  VAL  96          HG12      VAL  96   1.970 -20.812  -6.291
  764   3HG1  VAL  96          HG13      VAL  96   2.478 -22.425  -5.761
  765   1HG2  VAL  96          HG21      VAL  96   4.264 -20.678  -7.587
  766   2HG2  VAL  96          HG22      VAL  96   5.747 -21.019  -6.671
  767   3HG2  VAL  96          HG23      VAL  96   4.574 -22.309  -6.952
  768    H    ASP  97           H        ASP  97   2.177 -17.635  -4.637
  769    HA   ASP  97           HA       ASP  97   2.677 -17.320  -1.813
  770   1HB   ASP  97          HB2       ASP  97   1.499 -15.697  -3.466
  771   2HB   ASP  97          HB3       ASP  97   0.055 -16.678  -3.190
  772    H    SER  98           H        SER  98   1.266 -18.100  -0.071
  773    HA   SER  98           HA       SER  98   0.440 -20.854  -0.269
  774   1HB   SER  98          HB2       SER  98  -0.695 -19.269   1.921
  775   2HB   SER  98          HB3       SER  98   0.352 -20.689   1.982
  776    HG   SER  98           HG       SER  98   1.202 -18.683   2.898
  777    H    ASP  99           H        ASP  99  -1.090 -17.642  -0.435
  778    HA   ASP  99           HA       ASP  99  -3.421 -18.634  -1.786
  779   1HB   ASP  99          HB2       ASP  99  -4.009 -19.315   0.561
  780   2HB   ASP  99          HB3       ASP  99  -3.853 -17.637   1.064
  781    H    HIS 100           H        HIS 100  -2.298 -15.959   0.415
  782    HA   HIS 100           HA       HIS 100  -2.312 -14.027  -1.721
  783   1HB   HIS 100          HB2       HIS 100  -4.151 -12.595  -0.764
  784   2HB   HIS 100          HB3       HIS 100  -4.716 -14.098  -1.433
  785    HD1  HIS 100           HD1      HIS 100  -6.359 -15.384   0.133
  786    HD2  HIS 100           HD2      HIS 100  -3.726 -12.800   2.160
  787    HE1  HIS 100           HE1      HIS 100  -7.010 -15.475   2.582
  788    H    ALA 101           H        ALA 101  -0.481 -14.948   0.600
  789    HA   ALA 101           HA       ALA 101  -0.732 -13.130   2.782
  790   1HB   ALA 101          HB1       ALA 101   0.481 -15.294   2.889
  791   2HB   ALA 101          HB2       ALA 101   1.746 -14.621   1.832
  792   3HB   ALA 101          HB3       ALA 101   1.463 -13.928   3.446
  793    H    LEU 102           H        LEU 102   1.391 -12.965  -0.155
  794    HA   LEU 102           HA       LEU 102   2.578 -10.419   0.621
  795   1HB   LEU 102          HB2       LEU 102   3.457 -12.232  -0.987
  796   2HB   LEU 102          HB3       LEU 102   2.366 -11.582  -2.176
  797    HG   LEU 102           HG       LEU 102   4.663 -10.092  -0.825
  798   1HD1  LEU 102          HD11      LEU 102   5.381 -11.886  -2.376
  799   2HD1  LEU 102          HD12      LEU 102   4.358 -11.191  -3.649
  800   3HD1  LEU 102          HD13      LEU 102   5.759 -10.288  -3.038
  801   1HD2  LEU 102          HD21      LEU 102   2.740  -9.183  -2.999
  802   2HD2  LEU 102          HD22      LEU 102   3.134  -8.375  -1.469
  803   3HD2  LEU 102          HD23      LEU 102   4.329  -8.438  -2.753
  804    H    THR 103           H        THR 103  -0.105 -11.500  -1.505
  805    HA   THR 103           HA       THR 103  -0.877  -9.103  -2.622
  806    HB   THR 103           HB       THR 103  -2.861 -11.205  -1.754
  807    HG1  THR 103           HG1      THR 103  -2.060 -12.447  -3.603
  808   1HG2  THR 103          HG21      THR 103  -3.612  -9.351  -3.211
  809   2HG2  THR 103          HG22      THR 103  -2.404  -9.851  -4.433
  810   3HG2  THR 103          HG23      THR 103  -3.755 -10.926  -4.003
  811    H    ASP 104           H        ASP 104  -1.644 -10.392   0.607
  812    HA   ASP 104           HA       ASP 104  -3.504  -8.303   1.369
  813   1HB   ASP 104          HB2       ASP 104  -3.491 -10.602   2.295
  814   2HB   ASP 104          HB3       ASP 104  -1.918 -10.310   3.031
  815    H    ALA 105           H        ALA 105  -0.026  -9.040   1.989
  816    HA   ALA 105           HA       ALA 105   0.558  -6.910   3.703
  817   1HB   ALA 105          HB1       ALA 105   2.076  -8.832   3.250
  818   2HB   ALA 105          HB2       ALA 105   2.430  -8.153   1.642
  819   3HB   ALA 105          HB3       ALA 105   2.889  -7.264   3.102
  820    H    PHE 106           H        PHE 106   0.067  -6.795   0.187
  821    HA   PHE 106           HA       PHE 106   0.463  -3.866   0.415
  822   1HB   PHE 106          HB2       PHE 106   1.702  -3.661  -1.441
  823   2HB   PHE 106          HB3       PHE 106   2.449  -4.935  -0.540
  824    HD1  PHE 106           HD1      PHE 106   3.557  -4.537  -2.961
  825    HD2  PHE 106           HD2      PHE 106  -0.147  -6.637  -2.242
  826    HE1  PHE 106           HE1      PHE 106   3.859  -5.788  -5.078
  827    HE2  PHE 106           HE2      PHE 106   0.137  -7.824  -4.385
  828    HZ   PHE 106           HZ       PHE 106   2.141  -7.420  -5.804
  829    H    GLU 107           H        GLU 107  -1.930  -5.723   0.297
  830    HA   GLU 107           HA       GLU 107  -4.019  -5.781  -0.576
  831   1HB   GLU 107          HB2       GLU 107  -3.604  -2.815  -0.087
  832   2HB   GLU 107          HB3       GLU 107  -5.169  -3.638  -0.213
  833   1HG   GLU 107          HG2       GLU 107  -4.507  -5.111   1.710
  834   2HG   GLU 107          HG3       GLU 107  -3.036  -4.147   1.898
  835    H    ASN 108           H        ASN 108  -2.931  -6.447  -2.701
  836    HA   ASN 108           HA       ASN 108  -2.918  -4.669  -4.948
  837   1HB   ASN 108          HB2       ASN 108  -1.650  -6.736  -4.856
  838   2HB   ASN 108          HB3       ASN 108  -3.130  -7.692  -4.752
  839   1HD2  ASN 108          HD22      ASN 108  -2.039  -8.850  -6.602
  840   2HD2  ASN 108          HD21      ASN 108  -2.361  -8.233  -8.196
  841    H    GLU 109           H        GLU 109  -5.291  -7.208  -4.024
  842    HA   GLU 109           HA       GLU 109  -7.412  -7.609  -4.506
  843   1HB   GLU 109          HB2       GLU 109  -7.857  -4.669  -5.082
  844   2HB   GLU 109          HB3       GLU 109  -9.020  -5.896  -4.565
  845   1HG   GLU 109          HG2       GLU 109  -7.614  -6.153  -2.436
  846   2HG   GLU 109          HG3       GLU 109  -6.749  -4.700  -2.942
  847    H    TYR 110           H        TYR 110  -5.389  -7.399  -6.829
  848    HA   TYR 110           HA       TYR 110  -7.387  -8.160  -8.872
  849   1HB   TYR 110          HB2       TYR 110  -4.866  -6.609  -9.539
  850   2HB   TYR 110          HB3       TYR 110  -6.092  -7.162 -10.666
  851    HD1  TYR 110           HD1      TYR 110  -8.429  -6.072 -10.602
  852    HD2  TYR 110           HD2      TYR 110  -5.014  -4.513  -8.474
  853    HE1  TYR 110           HE1      TYR 110  -9.568  -3.877 -10.378
  854    HE2  TYR 110           HE2      TYR 110  -6.140  -2.331  -8.234
  855    HH   TYR 110           HH       TYR 110  -8.058  -1.090  -8.653
  856    H    VAL 111           H        VAL 111  -5.762  -9.337 -10.723
  857    HA   VAL 111           HA       VAL 111  -3.727 -10.895  -9.224
  858    HB   VAL 111           HB       VAL 111  -5.824 -12.190 -10.991
  859   1HG1  VAL 111          HG11      VAL 111  -3.703 -13.300 -11.362
  860   2HG1  VAL 111          HG12      VAL 111  -3.317 -13.264  -9.635
  861   3HG1  VAL 111          HG13      VAL 111  -4.631 -14.295 -10.241
  862   1HG2  VAL 111          HG21      VAL 111  -5.290 -12.304  -8.000
  863   2HG2  VAL 111          HG22      VAL 111  -6.757 -11.727  -8.812
  864   3HG2  VAL 111          HG23      VAL 111  -6.339 -13.440  -8.869
  865    HA   PRO 112           HA       PRO 112  -2.046 -10.514 -13.598
  866   1HB   PRO 112          HB2       PRO 112  -3.430  -9.361 -15.659
  867   2HB   PRO 112          HB3       PRO 112  -3.510 -11.102 -15.274
  868   1HG   PRO 112          HG2       PRO 112  -5.473  -8.933 -14.492
  869   2HG   PRO 112          HG3       PRO 112  -5.820 -10.572 -15.126
  870   1HD   PRO 112          HD2       PRO 112  -5.932  -9.971 -12.467
  871   2HD   PRO 112          HD3       PRO 112  -5.432 -11.574 -13.071
  872    H    ALA 113           H        ALA 113  -1.028  -9.099 -12.137
  873    HA   ALA 113           HA       ALA 113  -1.468  -6.178 -12.403
  874   1HB   ALA 113          HB1       ALA 113  -2.885  -7.058 -10.524
  875   2HB   ALA 113          HB2       ALA 113  -1.426  -7.786  -9.811
  876   3HB   ALA 113          HB3       ALA 113  -1.564  -6.019  -9.943
  877    H    TYR 114           H        TYR 114   0.391  -4.965 -11.764
  878    HA   TYR 114           HA       TYR 114   2.898  -6.483 -11.410
  879   1HB   TYR 114          HB2       TYR 114   3.325  -4.867 -13.686
  880   2HB   TYR 114          HB3       TYR 114   3.342  -6.606 -13.587
  881    HD1  TYR 114           HD1      TYR 114   1.485  -7.967 -14.438
  882    HD2  TYR 114           HD2      TYR 114   1.291  -3.662 -14.439
  883    HE1  TYR 114           HE1      TYR 114  -0.542  -8.067 -15.865
  884    HE2  TYR 114           HE2      TYR 114  -0.740  -3.754 -15.884
  885    HH   TYR 114           HH       TYR 114  -2.268  -5.102 -16.934
  886    H    TYR 115           H        TYR 115   4.612  -5.268 -10.883
  887    HA   TYR 115           HA       TYR 115   4.159  -2.463 -10.007
  888   1HB   TYR 115          HB2       TYR 115   5.127  -4.894  -8.424
  889   2HB   TYR 115          HB3       TYR 115   5.179  -3.232  -7.860
  890    HD1  TYR 115           HD1      TYR 115   2.845  -6.002  -8.816
  891    HD2  TYR 115           HD2      TYR 115   3.343  -2.247  -6.744
  892    HE1  TYR 115           HE1      TYR 115   0.549  -6.202  -7.918
  893    HE2  TYR 115           HE2      TYR 115   1.062  -2.467  -5.806
  894    HH   TYR 115           HH       TYR 115  -1.145  -5.112  -6.710
  895    H    VAL 116           H        VAL 116   5.959  -1.254 -10.473
  896    HA   VAL 116           HA       VAL 116   8.406  -2.681 -11.414
  897    HB   VAL 116           HB       VAL 116   7.435  -0.057 -12.579
  898   1HG1  VAL 116          HG11      VAL 116   9.762  -0.887 -13.026
  899   2HG1  VAL 116          HG12      VAL 116   9.077  -2.358 -13.744
  900   3HG1  VAL 116          HG13      VAL 116   8.782  -0.775 -14.498
  901   1HG2  VAL 116          HG21      VAL 116   6.563  -2.810 -13.559
  902   2HG2  VAL 116          HG22      VAL 116   5.507  -1.493 -12.994
  903   3HG2  VAL 116          HG23      VAL 116   6.418  -1.301 -14.489
  904    H    PHE 117           H        PHE 117  10.229  -1.993 -10.393
  905    HA   PHE 117           HA       PHE 117   9.981   0.265  -8.454
  906   1HB   PHE 117          HB2       PHE 117  11.312  -2.460  -8.135
  907   2HB   PHE 117          HB3       PHE 117  11.374  -1.164  -6.962
  908    HD1  PHE 117           HD1      PHE 117   9.036  -3.572  -8.654
  909    HD2  PHE 117           HD2      PHE 117   9.730  -1.019  -5.262
  910    HE1  PHE 117           HE1      PHE 117   7.123  -4.582  -7.471
  911    HE2  PHE 117           HE2      PHE 117   7.679  -1.864  -4.181
  912    HZ   PHE 117           HZ       PHE 117   6.374  -3.688  -5.271
  913    H    ASP 118           H        ASP 118  11.864   1.457  -8.077
  914    HA   ASP 118           HA       ASP 118  13.760   1.692 -10.278
  915   1HB   ASP 118          HB2       ASP 118  12.823   3.547  -8.774
  916   2HB   ASP 118          HB3       ASP 118  13.872   2.946  -7.507
  917    H    LYS 119           H        LYS 119  16.204   1.627  -9.816
  918    HA   LYS 119           HA       LYS 119  17.014  -0.912  -8.777
  919   1HB   LYS 119          HB2       LYS 119  19.311  -0.060  -9.068
  920   2HB   LYS 119          HB3       LYS 119  18.333   0.169 -10.512
  921   1HG   LYS 119          HG2       LYS 119  18.300   2.459 -10.337
  922   2HG   LYS 119          HG3       LYS 119  18.430   2.483  -8.588
  923   1HD   LYS 119          HD2       LYS 119  20.782   1.668 -10.324
  924   2HD   LYS 119          HD3       LYS 119  20.417   3.354  -9.915
  925   1HE   LYS 119          HE2       LYS 119  20.418   2.770  -7.485
  926   2HE   LYS 119          HE3       LYS 119  20.902   1.121  -7.881
  927   1HZ   LYS 119          HZ1       LYS 119  22.960   2.054  -8.838
  928   2HZ   LYS 119          HZ2       LYS 119  22.482   3.572  -8.450
  929   3HZ   LYS 119          HZ3       LYS 119  22.793   2.487  -7.275
  930    H    THR 120           H        THR 120  16.384   2.055  -7.076
  931    HA   THR 120           HA       THR 120  18.061   1.305  -4.800
  932    HB   THR 120           HB       THR 120  17.791   3.617  -5.454
  933    HG1  THR 120           HG1      THR 120  17.509   4.450  -3.449
  934   1HG2  THR 120          HG21      THR 120  15.617   3.859  -6.318
  935   2HG2  THR 120          HG22      THR 120  14.849   3.209  -4.867
  936   3HG2  THR 120          HG23      THR 120  15.612   4.819  -4.852
  937    H    GLY 121           H        GLY 121  15.003   0.240  -5.952
  938   1HA   GLY 121          HA2       GLY 121  13.909  -1.550  -5.104
  939   2HA   GLY 121          HA3       GLY 121  14.757  -1.398  -3.548
  940    H    GLN 122           H        GLN 122  12.638   0.852  -5.397
  941    HA   GLN 122           HA       GLN 122  10.432   0.441  -3.541
  942   1HB   GLN 122          HB2       GLN 122  10.299   2.965  -3.158
  943   2HB   GLN 122          HB3       GLN 122  11.428   2.047  -2.171
  944   1HG   GLN 122          HG2       GLN 122  13.299   3.013  -3.098
  945   2HG   GLN 122          HG3       GLN 122  12.537   3.246  -4.683
  946   1HE2  GLN 122          HE22      GLN 122  10.945   4.899  -4.977
  947   2HE2  GLN 122          HE21      GLN 122  10.987   6.329  -3.989
  948    H    LEU 123           H        LEU 123   8.496   1.453  -4.234
  949    HA   LEU 123           HA       LEU 123   8.164   0.581  -6.890
  950   1HB   LEU 123          HB2       LEU 123   6.557   0.312  -4.977
  951   2HB   LEU 123          HB3       LEU 123   6.188   2.031  -5.073
  952    HG   LEU 123           HG       LEU 123   5.310   1.682  -7.407
  953   1HD1  LEU 123          HD11      LEU 123   6.557  -0.383  -8.040
  954   2HD1  LEU 123          HD12      LEU 123   5.735  -1.268  -6.756
  955   3HD1  LEU 123          HD13      LEU 123   4.817  -0.646  -8.141
  956   1HD2  LEU 123          HD21      LEU 123   4.068  -0.181  -5.342
  957   2HD2  LEU 123          HD22      LEU 123   3.793   1.568  -5.425
  958   3HD2  LEU 123          HD23      LEU 123   3.248   0.524  -6.743
  959    H    ARG 124           H        ARG 124   7.960   1.606  -8.807
  960    HA   ARG 124           HA       ARG 124   8.079   4.601  -8.912
  961   1HB   ARG 124          HB2       ARG 124   8.833   2.373 -10.873
  962   2HB   ARG 124          HB3       ARG 124   8.707   4.049 -11.371
  963   1HG   ARG 124          HG2       ARG 124  10.477   3.252  -9.041
  964   2HG   ARG 124          HG3       ARG 124  11.018   3.076 -10.711
  965   1HD   ARG 124          HD2       ARG 124   9.861   5.735 -10.310
  966   2HD   ARG 124          HD3       ARG 124  11.104   5.414  -9.092
  967    HE   ARG 124           HE       ARG 124  12.286   4.555 -11.402
  968   1HH1  ARG 124          HH11      ARG 124  10.934   7.644 -10.331
  969   2HH1  ARG 124          HH12      ARG 124  12.010   8.612 -11.277
  970   1HH2  ARG 124          HH21      ARG 124  13.746   5.779 -12.602
  971   2HH2  ARG 124          HH22      ARG 124  13.642   7.502 -12.661
  972    H    HIS 125           H        HIS 125   6.411   1.684 -10.221
  973    HA   HIS 125           HA       HIS 125   4.033   3.293 -10.874
  974   1HB   HIS 125          HB2       HIS 125   5.762   3.402 -12.804
  975   2HB   HIS 125          HB3       HIS 125   5.484   1.672 -13.011
  976    HD1  HIS 125           HD1      HIS 125   3.657   5.061 -13.339
  977    HD2  HIS 125           HD2      HIS 125   3.142   0.955 -14.122
  978    HE1  HIS 125           HE1      HIS 125   1.522   4.855 -14.711
  979    H    PHE 126           H        PHE 126   2.178   1.896 -11.204
  980    HA   PHE 126           HA       PHE 126   2.524  -0.983 -11.166
  981   1HB   PHE 126          HB2       PHE 126   2.300  -1.188  -8.937
  982   2HB   PHE 126          HB3       PHE 126   1.856   0.489  -8.711
  983    HD1  PHE 126           HD1      PHE 126   0.505  -2.919  -9.347
  984    HD2  PHE 126           HD2      PHE 126  -0.453   1.212  -8.560
  985    HE1  PHE 126           HE1      PHE 126  -1.854  -3.547  -8.913
  986    HE2  PHE 126           HE2      PHE 126  -2.810   0.577  -8.116
  987    HZ   PHE 126           HZ       PHE 126  -3.516  -1.805  -8.294
  988    H    GLN 127           H        GLN 127   0.631  -2.025 -11.917
  989    HA   GLN 127           HA       GLN 127  -1.759  -0.512 -12.656
  990   1HB   GLN 127          HB2       GLN 127   0.023  -1.866 -14.731
  991   2HB   GLN 127          HB3       GLN 127  -1.610  -1.306 -15.056
  992   1HG   GLN 127          HG2       GLN 127   0.677   0.518 -14.241
  993   2HG   GLN 127          HG3       GLN 127   0.325   0.121 -15.890
  994   1HE2  GLN 127          HE22      GLN 127  -0.786   1.968 -13.109
  995   2HE2  GLN 127          HE21      GLN 127  -1.997   2.914 -13.970
  996    H    ALA 128           H        ALA 128  -3.393  -2.133 -13.556
  997    HA   ALA 128           HA       ALA 128  -2.687  -4.932 -13.466
  998   1HB   ALA 128          HB1       ALA 128  -3.405  -4.571 -11.097
  999   2HB   ALA 128          HB2       ALA 128  -4.947  -3.904 -11.682
 1000   3HB   ALA 128          HB3       ALA 128  -4.538  -5.604 -11.992
 1001    H    GLY 129           H        GLY 129  -3.943  -6.107 -14.832
 1002   1HA   GLY 129          HA2       GLY 129  -5.141  -6.463 -16.738
 1003   2HA   GLY 129          HA3       GLY 129  -6.296  -5.224 -16.229
 1004    H    GLY 130           H        GLY 130  -5.949  -5.233 -18.803
 1005   1HA   GLY 130          HA2       GLY 130  -5.510  -2.864 -19.848
 1006   2HA   GLY 130          HA3       GLY 130  -3.819  -3.378 -19.690
 1007    H    SER 131           H        SER 131  -5.069  -2.918 -22.239
 1008    HA   SER 131           HA       SER 131  -6.156  -5.195 -23.453
 1009   1HB   SER 131          HB2       SER 131  -4.475  -3.037 -24.781
 1010   2HB   SER 131          HB3       SER 131  -5.701  -4.071 -25.541
 1011    HG   SER 131           HG       SER 131  -6.540  -1.992 -25.004
 1012    H    GLY 132           H        GLY 132  -5.222  -7.152 -23.335
 1013   1HA   GLY 132          HA2       GLY 132  -3.721  -8.846 -23.351
 1014   2HA   GLY 132          HA3       GLY 132  -2.910  -8.010 -24.685
 1015    H    MET 133           H        MET 133  -3.239  -6.544 -21.501
 1016    HA   MET 133           HA       MET 133  -1.747  -5.267 -20.477
 1017   1HB   MET 133          HB2       MET 133  -0.337  -6.468 -18.921
 1018   2HB   MET 133          HB3       MET 133  -1.964  -7.109 -19.074
 1019   1HG   MET 133          HG2       MET 133  -0.735  -9.006 -18.855
 1020   2HG   MET 133          HG3       MET 133  -0.988  -8.932 -20.581
 1021   1HE   MET 133          HE1       MET 133   1.713  -7.354 -17.987
 1022   2HE   MET 133          HE2       MET 133   1.362  -9.059 -17.621
 1023   3HE   MET 133          HE3       MET 133   2.956  -8.604 -18.250
 1024    H    LYS 134           H        LYS 134  -1.069  -5.327 -23.310
 1025    HA   LYS 134           HA       LYS 134   1.718  -5.474 -23.812
 1026   1HB   LYS 134          HB2       LYS 134  -0.541  -3.808 -24.979
 1027   2HB   LYS 134          HB3       LYS 134   1.097  -3.572 -25.531
 1028   1HG   LYS 134          HG2       LYS 134  -0.431  -6.202 -25.677
 1029   2HG   LYS 134          HG3       LYS 134  -0.211  -5.052 -26.992
 1030   1HD   LYS 134          HD2       LYS 134   1.938  -6.762 -25.690
 1031   2HD   LYS 134          HD3       LYS 134   1.299  -6.861 -27.331
 1032   1HE   LYS 134          HE2       LYS 134   2.202  -4.525 -27.753
 1033   2HE   LYS 134          HE3       LYS 134   2.984  -4.596 -26.167
 1034   1HZ   LYS 134          HZ1       LYS 134   4.230  -6.538 -26.958
 1035   2HZ   LYS 134          HZ2       LYS 134   3.521  -6.427 -28.434
 1036   3HZ   LYS 134          HZ3       LYS 134   4.506  -5.239 -27.904
 1037    H    MET 135           H        MET 135  -0.163  -2.816 -22.383
 1038    HA   MET 135           HA       MET 135   1.841  -0.856 -22.616
 1039   1HB   MET 135          HB2       MET 135   0.604   0.217 -20.601
 1040   2HB   MET 135          HB3       MET 135  -0.170   0.074 -22.164
 1041   1HG   MET 135          HG2       MET 135  -1.668  -0.418 -20.265
 1042   2HG   MET 135          HG3       MET 135  -1.593  -1.675 -21.481
 1043   1HE   MET 135          HE1       MET 135   0.978  -1.001 -18.472
 1044   2HE   MET 135          HE2       MET 135  -0.642  -0.568 -17.886
 1045   3HE   MET 135          HE3       MET 135   0.200  -1.993 -17.227
 1046    H    LEU 136           H        LEU 136   1.789  -3.552 -20.299
 1047    HA   LEU 136           HA       LEU 136   3.464  -2.270 -18.365
 1048   1HB   LEU 136          HB2       LEU 136   2.281  -4.351 -17.865
 1049   2HB   LEU 136          HB3       LEU 136   3.215  -5.209 -19.096
 1050    HG   LEU 136           HG       LEU 136   5.314  -4.813 -17.796
 1051   1HD1  LEU 136          HD11      LEU 136   4.829  -2.764 -16.567
 1052   2HD1  LEU 136          HD12      LEU 136   3.462  -3.531 -15.734
 1053   3HD1  LEU 136          HD13      LEU 136   5.133  -4.056 -15.415
 1054   1HD2  LEU 136          HD21      LEU 136   3.027  -6.108 -16.321
 1055   2HD2  LEU 136          HD22      LEU 136   4.076  -6.843 -17.513
 1056   3HD2  LEU 136          HD23      LEU 136   4.748  -6.358 -15.945
 1057    H    GLU 137           H        GLU 137   4.214  -3.913 -21.476
 1058    HA   GLU 137           HA       GLU 137   7.031  -4.070 -21.132
 1059   1HB   GLU 137          HB2       GLU 137   5.580  -5.088 -22.965
 1060   2HB   GLU 137          HB3       GLU 137   5.551  -3.494 -23.732
 1061   1HG   GLU 137          HG2       GLU 137   8.065  -3.576 -23.841
 1062   2HG   GLU 137          HG3       GLU 137   8.014  -5.194 -23.136
 1063    H    LYS 138           H        LYS 138   4.888  -1.364 -22.101
 1064    HA   LYS 138           HA       LYS 138   7.109   0.445 -22.641
 1065   1HB   LYS 138          HB2       LYS 138   4.115   0.882 -22.289
 1066   2HB   LYS 138          HB3       LYS 138   5.267   2.206 -22.521
 1067   1HG   LYS 138          HG2       LYS 138   6.012   1.300 -24.650
 1068   2HG   LYS 138          HG3       LYS 138   5.056  -0.166 -24.426
 1069   1HD   LYS 138          HD2       LYS 138   3.977   1.299 -26.017
 1070   2HD   LYS 138          HD3       LYS 138   2.969   1.116 -24.574
 1071   1HE   LYS 138          HE2       LYS 138   3.707   3.326 -23.747
 1072   2HE   LYS 138          HE3       LYS 138   4.818   3.490 -25.115
 1073   1HZ   LYS 138          HZ1       LYS 138   2.902   3.513 -26.594
 1074   2HZ   LYS 138          HZ2       LYS 138   1.863   3.334 -25.341
 1075   3HZ   LYS 138          HZ3       LYS 138   2.753   4.694 -25.481
 1076    H    ARG 139           H        ARG 139   4.954  -0.101 -19.749
 1077    HA   ARG 139           HA       ARG 139   6.150   2.034 -18.246
 1078   1HB   ARG 139          HB2       ARG 139   5.134  -0.594 -17.084
 1079   2HB   ARG 139          HB3       ARG 139   5.368   0.921 -16.229
 1080   1HG   ARG 139          HG2       ARG 139   3.223   0.270 -18.273
 1081   2HG   ARG 139          HG3       ARG 139   3.042   0.613 -16.568
 1082   1HD   ARG 139          HD2       ARG 139   3.993   2.962 -17.097
 1083   2HD   ARG 139          HD3       ARG 139   3.746   2.540 -18.804
 1084    HE   ARG 139           HE       ARG 139   1.605   2.447 -16.715
 1085   1HH1  ARG 139          HH11      ARG 139   2.702   3.940 -19.736
 1086   2HH1  ARG 139          HH12      ARG 139   1.151   4.586 -20.145
 1087   1HH2  ARG 139          HH21      ARG 139  -0.492   3.138 -17.333
 1088   2HH2  ARG 139          HH22      ARG 139  -0.697   4.153 -18.713
 1089    H    VAL 140           H        VAL 140   7.128  -1.389 -18.596
 1090    HA   VAL 140           HA       VAL 140   9.421  -1.314 -16.918
 1091    HB   VAL 140           HB       VAL 140   8.666  -2.935 -19.389
 1092   1HG1  VAL 140          HG11      VAL 140  11.120  -3.017 -19.267
 1093   2HG1  VAL 140          HG12      VAL 140  11.034  -3.366 -17.526
 1094   3HG1  VAL 140          HG13      VAL 140  10.425  -4.543 -18.722
 1095   1HG2  VAL 140          HG21      VAL 140   8.825  -3.665 -16.445
 1096   2HG2  VAL 140          HG22      VAL 140   7.321  -3.221 -17.256
 1097   3HG2  VAL 140          HG23      VAL 140   8.180  -4.672 -17.777
 1098    H    ASN 141           H        ASN 141   9.155  -0.782 -20.511
 1099    HA   ASN 141           HA       ASN 141  11.918  -0.178 -20.779
 1100   1HB   ASN 141          HB2       ASN 141   9.510   0.312 -22.538
 1101   2HB   ASN 141          HB3       ASN 141  11.035   1.104 -22.911
 1102   1HD2  ASN 141          HD22      ASN 141   9.491  -2.085 -22.602
 1103   2HD2  ASN 141          HD21      ASN 141  10.757  -2.953 -23.466
 1104    H    ARG 142           H        ARG 142   9.194   1.936 -19.867
 1105    HA   ARG 142           HA       ARG 142  10.695   4.393 -20.103
 1106   1HB   ARG 142          HB2       ARG 142   8.330   3.699 -18.304
 1107   2HB   ARG 142          HB3       ARG 142   9.017   5.292 -18.484
 1108   1HG   ARG 142          HG2       ARG 142   6.930   4.097 -19.967
 1109   2HG   ARG 142          HG3       ARG 142   7.549   5.724 -20.077
 1110   1HD   ARG 142          HD2       ARG 142   8.554   3.365 -21.719
 1111   2HD   ARG 142          HD3       ARG 142   7.369   4.553 -22.246
 1112    HE   ARG 142           HE       ARG 142   9.469   6.136 -21.548
 1113   1HH1  ARG 142          HH11      ARG 142   9.117   3.374 -23.762
 1114   2HH1  ARG 142          HH12      ARG 142  10.380   3.879 -24.828
 1115   1HH2  ARG 142          HH21      ARG 142  11.142   6.823 -22.981
 1116   2HH2  ARG 142          HH22      ARG 142  11.543   5.890 -24.378
 1117    H    VAL 143           H        VAL 143  10.072   2.201 -17.242
 1118    HA   VAL 143           HA       VAL 143  11.809   3.662 -15.536
 1119    HB   VAL 143           HB       VAL 143  10.961   0.741 -15.492
 1120   1HG1  VAL 143          HG11      VAL 143  13.058   0.910 -14.217
 1121   2HG1  VAL 143          HG12      VAL 143  12.432   2.319 -13.328
 1122   3HG1  VAL 143          HG13      VAL 143  11.695   0.716 -13.115
 1123   1HG2  VAL 143          HG21      VAL 143  10.095   3.196 -13.878
 1124   2HG2  VAL 143          HG22      VAL 143   9.134   2.392 -15.132
 1125   3HG2  VAL 143          HG23      VAL 143   9.501   1.545 -13.629
 1126    H    LEU 144           H        LEU 144  12.612   1.012 -17.882
 1127    HA   LEU 144           HA       LEU 144  15.376   0.915 -17.176
 1128   1HB   LEU 144          HB2       LEU 144  14.005   0.350 -19.842
 1129   2HB   LEU 144          HB3       LEU 144  15.698   0.021 -19.522
 1130    HG   LEU 144           HG       LEU 144  13.383  -1.276 -18.024
 1131   1HD1  LEU 144          HD11      LEU 144  13.561  -2.017 -20.393
 1132   2HD1  LEU 144          HD12      LEU 144  15.263  -2.441 -20.122
 1133   3HD1  LEU 144          HD13      LEU 144  13.975  -3.306 -19.256
 1134   1HD2  LEU 144          HD21      LEU 144  16.377  -1.829 -17.911
 1135   2HD2  LEU 144          HD22      LEU 144  15.393  -1.120 -16.618
 1136   3HD2  LEU 144          HD23      LEU 144  15.106  -2.773 -17.108
 1137    H    ALA 145           H        ALA 145  13.668   3.023 -19.522
 1138    HA   ALA 145           HA       ALA 145  16.070   4.227 -20.541
 1139   1HB   ALA 145          HB1       ALA 145  13.946   4.147 -21.805
 1140   2HB   ALA 145          HB2       ALA 145  13.170   5.187 -20.586
 1141   3HB   ALA 145          HB3       ALA 145  14.494   5.819 -21.584
 1142    H    GLU 146           H        GLU 146  13.870   4.994 -17.857
 1143    HA   GLU 146           HA       GLU 146  14.925   7.686 -17.493
 1144   1HB   GLU 146          HB2       GLU 146  12.892   6.006 -15.979
 1145   2HB   GLU 146          HB3       GLU 146  13.272   7.670 -15.573
 1146   1HG   GLU 146          HG2       GLU 146  12.586   7.324 -18.451
 1147   2HG   GLU 146          HG3       GLU 146  11.311   6.800 -17.362
 1148    H    THR 147           H        THR 147  15.299   4.497 -15.873
 1149    HA   THR 147           HA       THR 147  16.933   5.484 -13.707
 1150    HB   THR 147           HB       THR 147  16.584   2.722 -14.949
 1151    HG1  THR 147           HG1      THR 147  14.860   2.701 -13.785
 1152   1HG2  THR 147          HG21      THR 147  18.642   2.615 -13.703
 1153   2HG2  THR 147          HG22      THR 147  17.950   3.553 -12.359
 1154   3HG2  THR 147          HG23      THR 147  17.386   1.898 -12.692
 1155    H    GLU 148           H        GLU 148  19.233   5.165 -13.515
 1156    HA   GLU 148           HA       GLU 148  20.625   6.067 -15.924
 1157   1HB   GLU 148          HB2       GLU 148  21.548   5.748 -13.032
 1158   2HB   GLU 148          HB3       GLU 148  22.484   6.466 -14.352
 1159   1HG   GLU 148          HG2       GLU 148  20.763   8.233 -14.631
 1160   2HG   GLU 148          HG3       GLU 148  19.802   7.520 -13.335
  Start of MODEL    2
    1   1H    MET   1           H1       MET   1   0.472   0.768  -0.895
    2   2H    MET   1           H2       MET   1  -0.485   0.345  -2.159
    3   3H    MET   1           H3       MET   1   0.294  -0.812  -1.293
    4    HA   MET   1           HA       MET   1   2.442   0.107  -1.999
    5   1HB   MET   1          HB2       MET   1   0.525  -1.237  -3.831
    6   2HB   MET   1          HB3       MET   1   1.968  -0.552  -4.575
    7   1HG   MET   1          HG2       MET   1   2.321  -2.165  -2.051
    8   2HG   MET   1          HG3       MET   1   1.961  -2.998  -3.557
    9   1HE   MET   1          HE1       MET   1   4.813  -3.402  -1.799
   10   2HE   MET   1          HE2       MET   1   6.130  -2.374  -2.383
   11   3HE   MET   1          HE3       MET   1   4.834  -1.670  -1.392
   12    H    LYS   2           H        LYS   2   2.440   2.369  -1.463
   13    HA   LYS   2           HA       LYS   2   1.595   4.356  -3.452
   14   1HB   LYS   2          HB2       LYS   2   3.585   4.445  -1.120
   15   2HB   LYS   2          HB3       LYS   2   3.210   5.827  -2.154
   16   1HG   LYS   2          HG2       LYS   2   0.851   5.751  -1.486
   17   2HG   LYS   2          HG3       LYS   2   1.167   4.340  -0.452
   18   1HD   LYS   2          HD2       LYS   2   2.743   5.688   0.911
   19   2HD   LYS   2          HD3       LYS   2   2.424   7.101  -0.122
   20   1HE   LYS   2          HE2       LYS   2   0.018   7.006   0.498
   21   2HE   LYS   2          HE3       LYS   2   0.333   5.601   1.524
   22   1HZ   LYS   2          HZ1       LYS   2   0.267   7.637   2.810
   23   2HZ   LYS   2          HZ2       LYS   2   1.764   7.006   2.893
   24   3HZ   LYS   2          HZ3       LYS   2   1.473   8.306   1.943
   25    H    LEU   3           H        LEU   3   3.023   5.379  -4.933
   26    HA   LEU   3           HA       LEU   3   5.085   3.717  -6.134
   27   1HB   LEU   3          HB2       LEU   3   4.285   6.577  -6.803
   28   2HB   LEU   3          HB3       LEU   3   5.243   5.478  -7.789
   29    HG   LEU   3           HG       LEU   3   2.273   5.347  -7.171
   30   1HD1  LEU   3          HD11      LEU   3   2.046   5.460  -9.605
   31   2HD1  LEU   3          HD12      LEU   3   2.997   6.824  -9.002
   32   3HD1  LEU   3          HD13      LEU   3   3.814   5.463  -9.794
   33   1HD2  LEU   3          HD21      LEU   3   4.028   3.145  -8.292
   34   2HD2  LEU   3          HD22      LEU   3   2.816   3.069  -6.998
   35   3HD2  LEU   3          HD23      LEU   3   2.284   3.258  -8.662
   36    H    ARG   4           H        ARG   4   6.118   3.752  -3.953
   37    HA   ARG   4           HA       ARG   4   8.355   5.581  -3.601
   38   1HB   ARG   4          HB2       ARG   4   6.090   5.509  -1.542
   39   2HB   ARG   4          HB3       ARG   4   7.662   6.248  -1.286
   40   1HG   ARG   4          HG2       ARG   4   5.599   7.163  -3.304
   41   2HG   ARG   4          HG3       ARG   4   5.861   7.857  -1.710
   42   1HD   ARG   4          HD2       ARG   4   8.214   8.419  -2.344
   43   2HD   ARG   4          HD3       ARG   4   7.910   7.845  -3.980
   44    HE   ARG   4           HE       ARG   4   6.979  10.312  -2.703
   45   1HH1  ARG   4          HH21      ARG   4   6.519   8.166  -5.510
   46   2HH1  ARG   4          HH22      ARG   4   5.870   9.417  -6.516
   47   1HH2  ARG   4          HH11      ARG   4   6.070  11.940  -4.029
   48   2HH2  ARG   4          HH12      ARG   4   5.581  11.592  -5.642
   49    H    GLN   5           H        GLN   5   6.174   3.009  -2.359
   50    HA   GLN   5           HA       GLN   5   7.547   2.395  -0.031
   51   1HB   GLN   5          HB2       GLN   5   5.602   0.880  -1.778
   52   2HB   GLN   5          HB3       GLN   5   6.394   0.038  -0.447
   53   1HG   GLN   5          HG2       GLN   5   5.575   1.681   1.177
   54   2HG   GLN   5          HG3       GLN   5   4.781   2.588  -0.118
   55   1HE2  GLN   5          HE22      GLN   5   4.901  -0.854   1.146
   56   2HE2  GLN   5          HE21      GLN   5   3.196  -1.126   0.941
   57    HA   PRO   6           HA       PRO   6  10.993  -0.280  -1.270
   58   1HB   PRO   6          HB2       PRO   6  10.460  -1.684   1.321
   59   2HB   PRO   6          HB3       PRO   6  11.991  -0.979   0.720
   60   1HG   PRO   6          HG2       PRO   6  10.528   0.203   2.712
   61   2HG   PRO   6          HG3       PRO   6  11.390   1.173   1.480
   62   1HD   PRO   6          HD2       PRO   6   8.457   0.438   1.580
   63   2HD   PRO   6          HD3       PRO   6   9.228   2.005   1.178
   64    H    MET   7           H        MET   7  11.184  -2.586  -1.838
   65    HA   MET   7           HA       MET   7   8.816  -3.987  -2.519
   66   1HB   MET   7          HB2       MET   7  11.207  -4.313  -3.341
   67   2HB   MET   7          HB3       MET   7  11.518  -5.261  -1.878
   68   1HG   MET   7          HG2       MET   7   9.842  -6.875  -2.469
   69   2HG   MET   7          HG3       MET   7   9.237  -5.851  -3.772
   70   1HE   MET   7          HE1       MET   7  12.264  -5.032  -5.108
   71   2HE   MET   7          HE2       MET   7  12.000  -6.118  -6.489
   72   3HE   MET   7          HE3       MET   7  10.645  -5.166  -5.845
   73    HA   PRO   8           HA       PRO   8   7.586  -5.132   1.572
   74   1HB   PRO   8          HB2       PRO   8   5.529  -6.851   1.149
   75   2HB   PRO   8          HB3       PRO   8   5.461  -5.170   0.552
   76   1HG   PRO   8          HG2       PRO   8   6.278  -7.662  -0.992
   77   2HG   PRO   8          HG3       PRO   8   5.067  -6.437  -1.454
   78   1HD   PRO   8          HD2       PRO   8   7.627  -6.277  -2.355
   79   2HD   PRO   8          HD3       PRO   8   6.696  -4.807  -1.959
   80    H    GLU   9           H        GLU   9   6.837  -7.443   2.702
   81    HA   GLU   9           HA       GLU   9   9.171  -9.209   2.678
   82   1HB   GLU   9          HB2       GLU   9   7.844 -10.530   4.295
   83   2HB   GLU   9          HB3       GLU   9   8.069  -8.854   4.806
   84   1HG   GLU   9          HG2       GLU   9   5.727  -8.365   3.948
   85   2HG   GLU   9          HG3       GLU   9   5.542 -10.092   3.645
   86    H    LEU  10           H        LEU  10   9.113 -11.257   1.671
   87    HA   LEU  10           HA       LEU  10   7.015 -11.485  -0.434
   88   1HB   LEU  10          HB2       LEU  10   9.931 -12.286  -0.696
   89   2HB   LEU  10          HB3       LEU  10   8.666 -12.360  -1.934
   90    HG   LEU  10           HG       LEU  10   9.709  -9.787  -0.686
   91   1HD1  LEU  10          HD11      LEU  10  10.365 -10.913  -3.422
   92   2HD1  LEU  10          HD12      LEU  10  10.960  -9.402  -2.700
   93   3HD1  LEU  10          HD13      LEU  10  11.441 -10.957  -2.007
   94   1HD2  LEU  10          HD21      LEU  10   8.532  -8.686  -2.565
   95   2HD2  LEU  10          HD22      LEU  10   7.957 -10.262  -3.142
   96   3HD2  LEU  10          HD23      LEU  10   7.394  -9.614  -1.584
   97    H    THR  11           H        THR  11   5.868 -12.642   1.175
   98    HA   THR  11           HA       THR  11   6.849 -14.654   2.784
   99    HB   THR  11           HB       THR  11   4.319 -15.208   2.944
  100    HG1  THR  11           HG1      THR  11   3.040 -13.597   1.939
  101   1HG2  THR  11          HG21      THR  11   3.849 -13.067   4.117
  102   2HG2  THR  11          HG22      THR  11   5.452 -13.696   4.532
  103   3HG2  THR  11          HG23      THR  11   5.306 -12.348   3.392
  104    H    GLY  12           H        GLY  12   5.044 -15.018  -0.069
  105   1HA   GLY  12          HA2       GLY  12   4.558 -16.825  -1.496
  106   2HA   GLY  12          HA3       GLY  12   6.317 -17.084  -1.453
  107    H    GLU  13           H        GLU  13   3.572 -17.504   0.828
  108    HA   GLU  13           HA       GLU  13   4.844 -19.342   2.433
  109   1HB   GLU  13          HB2       GLU  13   1.852 -18.972   2.038
  110   2HB   GLU  13          HB3       GLU  13   2.615 -19.827   3.389
  111   1HG   GLU  13          HG2       GLU  13   3.922 -17.621   3.796
  112   2HG   GLU  13          HG3       GLU  13   2.719 -16.869   2.743
  113    H    LYS  14           H        LYS  14   3.341 -20.214  -0.656
  114    HA   LYS  14           HA       LYS  14   2.893 -22.968   0.243
  115   1HB   LYS  14          HB2       LYS  14   1.531 -21.729  -1.566
  116   2HB   LYS  14          HB3       LYS  14   2.864 -22.111  -2.637
  117   1HG   LYS  14          HG2       LYS  14   2.209 -24.551  -1.250
  118   2HG   LYS  14          HG3       LYS  14   0.682 -23.777  -1.593
  119   1HD   LYS  14          HD2       LYS  14   1.228 -25.332  -3.376
  120   2HD   LYS  14          HD3       LYS  14   1.213 -23.690  -3.990
  121   1HE   LYS  14          HE2       LYS  14   3.115 -24.783  -4.979
  122   2HE   LYS  14          HE3       LYS  14   3.725 -23.628  -3.794
  123   1HZ   LYS  14          HZ1       LYS  14   4.807 -25.849  -3.710
  124   2HZ   LYS  14          HZ2       LYS  14   4.171 -25.400  -2.280
  125   3HZ   LYS  14          HZ3       LYS  14   3.409 -26.526  -3.208
  126    H    ALA  15           H        ALA  15   5.521 -21.137  -0.968
  127    HA   ALA  15           HA       ALA  15   7.658 -21.937  -0.314
  128   1HB   ALA  15          HB1       ALA  15   8.631 -24.016  -1.138
  129   2HB   ALA  15          HB2       ALA  15   7.167 -24.373  -0.229
  130   3HB   ALA  15          HB3       ALA  15   7.144 -24.403  -2.019
  131    H    TRP  16           H        TRP  16   9.574 -22.294  -1.886
  132    HA   TRP  16           HA       TRP  16   9.520 -20.438  -4.071
  133   1HB   TRP  16          HB2       TRP  16  11.420 -22.757  -3.484
  134   2HB   TRP  16          HB3       TRP  16  11.730 -21.393  -4.542
  135    HD1  TRP  16           HD1      TRP  16  12.421 -22.553  -1.152
  136    HE1  TRP  16           HE1      TRP  16  13.423 -20.696   0.281
  137    HE3  TRP  16           HE3      TRP  16  11.315 -18.567  -4.155
  138    HZ2  TRP  16           HZ2      TRP  16  13.656 -17.802   0.184
  139    HZ3  TRP  16           HZ3      TRP  16  11.971 -16.272  -3.473
  140    HH2  TRP  16           HH2      TRP  16  13.115 -15.879  -1.300
  141    H    LEU  17           H        LEU  17   9.754 -20.932  -6.318
  142    HA   LEU  17           HA       LEU  17   9.730 -23.660  -7.294
  143   1HB   LEU  17          HB2       LEU  17   7.315 -23.256  -7.160
  144   2HB   LEU  17          HB3       LEU  17   7.530 -21.638  -7.837
  145    HG   LEU  17           HG       LEU  17   8.258 -22.629  -9.984
  146   1HD1  LEU  17          HD11      LEU  17   7.840 -25.014 -10.448
  147   2HD1  LEU  17          HD12      LEU  17   9.053 -24.850  -9.174
  148   3HD1  LEU  17          HD13      LEU  17   7.387 -25.279  -8.746
  149   1HD2  LEU  17          HD21      LEU  17   5.915 -21.961  -9.584
  150   2HD2  LEU  17          HD22      LEU  17   6.058 -23.278 -10.755
  151   3HD2  LEU  17          HD23      LEU  17   5.531 -23.614  -9.071
  152    H    ASN  18           H        ASN  18  10.918 -23.636  -9.197
  153    HA   ASN  18           HA       ASN  18  12.142 -22.975 -10.897
  154   1HB   ASN  18          HB2       ASN  18   9.737 -22.423 -11.564
  155   2HB   ASN  18          HB3       ASN  18  10.105 -20.740 -11.196
  156   1HD2  ASN  18          HD22      ASN  18  10.277 -19.659 -13.117
  157   2HD2  ASN  18          HD21      ASN  18  10.605 -20.478 -14.644
  158    H    GLY  19           H        GLY  19  12.421 -21.244  -8.293
  159   1HA   GLY  19          HA2       GLY  19  15.012 -20.566  -8.562
  160   2HA   GLY  19          HA3       GLY  19  14.179 -19.123  -9.161
  161    H    GLU  20           H        GLU  20  15.663 -18.960  -6.995
  162    HA   GLU  20           HA       GLU  20  13.782 -18.296  -4.800
  163   1HB   GLU  20          HB2       GLU  20  16.534 -19.455  -4.230
  164   2HB   GLU  20          HB3       GLU  20  15.212 -19.138  -3.100
  165   1HG   GLU  20          HG2       GLU  20  13.916 -20.965  -4.248
  166   2HG   GLU  20          HG3       GLU  20  15.331 -21.307  -5.236
  167    H    VAL  21           H        VAL  21  13.986 -16.094  -4.400
  168    HA   VAL  21           HA       VAL  21  16.581 -14.776  -4.355
  169    HB   VAL  21           HB       VAL  21  15.907 -12.963  -5.888
  170   1HG1  VAL  21          HG11      VAL  21  17.359 -14.704  -6.768
  171   2HG1  VAL  21          HG12      VAL  21  15.950 -15.621  -7.338
  172   3HG1  VAL  21          HG13      VAL  21  16.307 -14.033  -8.021
  173   1HG2  VAL  21          HG21      VAL  21  13.498 -14.695  -6.569
  174   2HG2  VAL  21          HG22      VAL  21  13.489 -13.085  -5.839
  175   3HG2  VAL  21          HG23      VAL  21  14.034 -13.279  -7.499
  176    H    THR  22           H        THR  22  16.136 -12.337  -3.830
  177    HA   THR  22           HA       THR  22  13.574 -11.743  -2.572
  178    HB   THR  22           HB       THR  22  14.601 -10.871  -0.556
  179    HG1  THR  22           HG1      THR  22  16.882 -11.170  -0.260
  180   1HG2  THR  22          HG21      THR  22  14.194 -13.352  -0.480
  181   2HG2  THR  22          HG22      THR  22  15.907 -13.591  -0.924
  182   3HG2  THR  22          HG23      THR  22  15.484 -12.776   0.598
  183    H    ARG  23           H        ARG  23  13.774  -9.222  -2.025
  184    HA   ARG  23           HA       ARG  23  14.627  -7.624  -4.219
  185   1HB   ARG  23          HB2       ARG  23  13.087  -6.851  -2.479
  186   2HB   ARG  23          HB3       ARG  23  14.308  -7.072  -1.229
  187   1HG   ARG  23          HG2       ARG  23  15.505  -5.251  -3.016
  188   2HG   ARG  23          HG3       ARG  23  13.809  -4.783  -3.016
  189   1HD   ARG  23          HD2       ARG  23  15.614  -5.074  -0.577
  190   2HD   ARG  23          HD3       ARG  23  15.134  -3.553  -1.347
  191    HE   ARG  23           HE       ARG  23  12.789  -4.992  -0.588
  192   1HH1  ARG  23          HH21      ARG  23  15.496  -3.289   0.950
  193   2HH1  ARG  23          HH22      ARG  23  14.603  -2.843   2.352
  194   1HH2  ARG  23          HH11      ARG  23  11.555  -4.311   1.245
  195   2HH2  ARG  23          HH12      ARG  23  12.345  -3.498   2.549
  196    H    GLU  24           H        GLU  24  16.330  -8.614  -1.180
  197    HA   GLU  24           HA       GLU  24  18.519  -6.864  -1.879
  198   1HB   GLU  24          HB2       GLU  24  19.595  -7.461   0.177
  199   2HB   GLU  24          HB3       GLU  24  17.922  -6.912   0.392
  200   1HG   GLU  24          HG2       GLU  24  17.141  -9.167   0.530
  201   2HG   GLU  24          HG3       GLU  24  18.756  -9.795   0.172
  202    H    GLN  25           H        GLN  25  17.799 -10.121  -2.679
  203    HA   GLN  25           HA       GLN  25  20.517 -11.055  -2.889
  204   1HB   GLN  25          HB2       GLN  25  17.825 -11.987  -3.914
  205   2HB   GLN  25          HB3       GLN  25  19.276 -12.750  -4.513
  206   1HG   GLN  25          HG2       GLN  25  18.511 -12.581  -1.564
  207   2HG   GLN  25          HG3       GLN  25  18.285 -13.986  -2.608
  208   1HE2  GLN  25          HE22      GLN  25  20.763 -13.953  -4.027
  209   2HE2  GLN  25          HE21      GLN  25  22.044 -14.313  -2.894
  210    H    LEU  26           H        LEU  26  18.302  -9.412  -5.129
  211    HA   LEU  26           HA       LEU  26  20.439  -9.438  -7.207
  212   1HB   LEU  26          HB2       LEU  26  18.600  -9.703  -8.870
  213   2HB   LEU  26          HB3       LEU  26  18.971 -11.078  -7.848
  214    HG   LEU  26           HG       LEU  26  16.996 -10.847  -6.575
  215   1HD1  LEU  26          HD11      LEU  26  16.323  -8.288  -8.052
  216   2HD1  LEU  26          HD12      LEU  26  15.185  -9.232  -7.076
  217   3HD1  LEU  26          HD13      LEU  26  16.593  -8.530  -6.308
  218   1HD2  LEU  26          HD21      LEU  26  16.892 -11.985  -8.786
  219   2HD2  LEU  26          HD22      LEU  26  15.325 -11.309  -8.306
  220   3HD2  LEU  26          HD23      LEU  26  16.322 -10.484  -9.523
  221    H    ILE  27           H        ILE  27  18.438  -7.248  -5.440
  222    HA   ILE  27           HA       ILE  27  18.530  -5.267  -7.623
  223    HB   ILE  27           HB       ILE  27  17.625  -5.033  -4.728
  224   1HG1  ILE  27          HG12      ILE  27  16.353  -5.617  -7.408
  225   2HG1  ILE  27          HG13      ILE  27  16.093  -6.422  -5.881
  226   1HG2  ILE  27          HG21      ILE  27  16.690  -2.875  -5.316
  227   2HG2  ILE  27          HG22      ILE  27  18.414  -2.838  -5.526
  228   3HG2  ILE  27          HG23      ILE  27  17.357  -2.987  -6.961
  229   1HD1  ILE  27          HD11      ILE  27  14.813  -4.446  -5.087
  230   2HD1  ILE  27          HD12      ILE  27  14.935  -3.776  -6.743
  231   3HD1  ILE  27          HD13      ILE  27  14.113  -5.314  -6.469
  232    H    GLY  28           H        GLY  28  19.769  -3.371  -7.572
  233   1HA   GLY  28          HA2       GLY  28  21.602  -2.442  -5.827
  234   2HA   GLY  28          HA3       GLY  28  22.511  -3.744  -6.625
  235    H    GLU  29           H        GLU  29  21.389  -3.539  -9.239
  236    HA   GLU  29           HA       GLU  29  22.005  -0.749 -10.104
  237   1HB   GLU  29          HB2       GLU  29  24.019  -2.278 -10.093
  238   2HB   GLU  29          HB3       GLU  29  23.198  -3.245 -11.335
  239   1HG   GLU  29          HG2       GLU  29  23.242  -1.384 -12.896
  240   2HG   GLU  29          HG3       GLU  29  23.697  -0.246 -11.626
  241    H    LYS  30           H        LYS  30  20.143  -3.673 -10.617
  242    HA   LYS  30           HA       LYS  30  19.097  -2.591 -13.195
  243   1HB   LYS  30          HB2       LYS  30  19.096  -5.437 -12.102
  244   2HB   LYS  30          HB3       LYS  30  18.141  -4.890 -13.475
  245   1HG   LYS  30          HG2       LYS  30  19.988  -5.732 -14.560
  246   2HG   LYS  30          HG3       LYS  30  20.351  -4.010 -14.480
  247   1HD   LYS  30          HD2       LYS  30  21.554  -4.944 -12.153
  248   2HD   LYS  30          HD3       LYS  30  21.728  -6.337 -13.200
  249   1HE   LYS  30          HE2       LYS  30  22.442  -3.493 -14.042
  250   2HE   LYS  30          HE3       LYS  30  23.593  -4.536 -13.206
  251   1HZ   LYS  30          HZ1       LYS  30  23.823  -4.616 -15.647
  252   2HZ   LYS  30          HZ2       LYS  30  23.537  -6.084 -15.007
  253   3HZ   LYS  30          HZ3       LYS  30  22.342  -5.308 -15.796
  254    HA   PRO  31           HA       PRO  31  15.246  -1.749 -10.928
  255   1HB   PRO  31          HB2       PRO  31  14.293  -1.937 -13.796
  256   2HB   PRO  31          HB3       PRO  31  13.791  -0.778 -12.529
  257   1HG   PRO  31          HG2       PRO  31  15.565   0.024 -14.398
  258   2HG   PRO  31          HG3       PRO  31  15.887   0.397 -12.678
  259   1HD   PRO  31          HD2       PRO  31  17.017  -1.871 -14.339
  260   2HD   PRO  31          HD3       PRO  31  17.871  -0.747 -13.236
  261    H    THR  32           H        THR  32  13.144  -2.952 -10.760
  262    HA   THR  32           HA       THR  32  13.409  -5.791 -11.564
  263    HB   THR  32           HB       THR  32  13.001  -4.759  -8.730
  264    HG1  THR  32           HG1      THR  32  15.118  -4.567  -9.374
  265   1HG2  THR  32          HG21      THR  32  13.386  -7.200  -8.132
  266   2HG2  THR  32          HG22      THR  32  11.819  -6.854  -8.884
  267   3HG2  THR  32          HG23      THR  32  13.112  -7.601  -9.838
  268    H    LEU  33           H        LEU  33  11.529  -6.801 -11.947
  269    HA   LEU  33           HA       LEU  33   8.977  -5.285 -11.546
  270   1HB   LEU  33          HB2       LEU  33   9.543  -5.499 -13.912
  271   2HB   LEU  33          HB3       LEU  33   9.929  -7.210 -13.701
  272    HG   LEU  33           HG       LEU  33   7.504  -7.655 -13.140
  273   1HD1  LEU  33          HD11      LEU  33   7.099  -4.793 -14.114
  274   2HD1  LEU  33          HD12      LEU  33   5.825  -5.978 -13.735
  275   3HD1  LEU  33          HD13      LEU  33   6.840  -5.348 -12.446
  276   1HD2  LEU  33          HD21      LEU  33   8.458  -8.028 -15.353
  277   2HD2  LEU  33          HD22      LEU  33   6.761  -7.534 -15.444
  278   3HD2  LEU  33          HD23      LEU  33   8.053  -6.375 -15.835
  279    H    ILE  34           H        ILE  34   7.438  -6.317 -10.398
  280    HA   ILE  34           HA       ILE  34   7.700  -9.238  -9.833
  281    HB   ILE  34           HB       ILE  34   6.147  -7.144  -8.267
  282   1HG1  ILE  34          HG12      ILE  34   8.800  -8.399  -7.458
  283   2HG1  ILE  34          HG13      ILE  34   8.548  -6.721  -7.933
  284   1HG2  ILE  34          HG21      ILE  34   6.747 -10.053  -7.592
  285   2HG2  ILE  34          HG22      ILE  34   5.790  -8.926  -6.608
  286   3HG2  ILE  34          HG23      ILE  34   5.186  -9.425  -8.171
  287   1HD1  ILE  34          HD11      ILE  34   7.609  -8.107  -5.417
  288   2HD1  ILE  34          HD12      ILE  34   8.570  -6.634  -5.624
  289   3HD1  ILE  34          HD13      ILE  34   6.840  -6.603  -5.985
  290    H    HIS  35           H        HIS  35   5.944 -10.423 -10.710
  291    HA   HIS  35           HA       HIS  35   3.475  -8.864 -11.251
  292   1HB   HIS  35          HB2       HIS  35   2.975 -10.066 -13.247
  293   2HB   HIS  35          HB3       HIS  35   4.486  -9.153 -13.456
  294    HD1  HIS  35           HD1      HIS  35   2.981 -12.524 -13.842
  295    HD2  HIS  35           HD2      HIS  35   6.802 -10.810 -13.475
  296    HE1  HIS  35           HE1      HIS  35   4.654 -14.335 -14.488
  297    H    PHE  36           H        PHE  36   1.559  -9.933 -10.925
  298    HA   PHE  36           HA       PHE  36   1.664 -12.555  -9.565
  299   1HB   PHE  36          HB2       PHE  36  -0.176 -10.149  -9.403
  300   2HB   PHE  36          HB3       PHE  36  -0.738 -11.765  -8.994
  301    HD1  PHE  36           HD1      PHE  36   2.381  -9.722  -8.137
  302    HD2  PHE  36           HD2      PHE  36  -0.927 -12.128  -6.744
  303    HE1  PHE  36           HE1      PHE  36   3.185  -9.512  -5.820
  304    HE2  PHE  36           HE2      PHE  36  -0.074 -11.933  -4.441
  305    HZ   PHE  36           HZ       PHE  36   1.915 -10.560  -3.963
  306    H    TRP  37           H        TRP  37   0.627 -14.165 -10.609
  307    HA   TRP  37           HA       TRP  37  -1.188 -13.724 -12.859
  308   1HB   TRP  37          HB2       TRP  37   0.170 -15.060 -14.384
  309   2HB   TRP  37          HB3       TRP  37   1.108 -13.681 -13.852
  310    HD1  TRP  37           HD1      TRP  37   3.225 -14.238 -12.172
  311    HE1  TRP  37           HE1      TRP  37   4.493 -16.385 -11.677
  312    HE3  TRP  37           HE3      TRP  37   0.107 -17.597 -14.476
  313    HZ2  TRP  37           HZ2      TRP  37   4.215 -19.248 -12.223
  314    HZ3  TRP  37           HZ3      TRP  37   0.703 -19.985 -14.590
  315    HH2  TRP  37           HH2      TRP  37   2.753 -20.834 -13.457
  316    H    SER  38           H        SER  38  -2.017 -16.108 -13.547
  317    HA   SER  38           HA       SER  38  -1.456 -18.170 -11.575
  318   1HB   SER  38          HB2       SER  38  -4.377 -17.719 -12.102
  319   2HB   SER  38          HB3       SER  38  -3.585 -18.549 -10.760
  320    HG   SER  38           HG       SER  38  -3.692 -16.792  -9.700
  321    H    ILE  39           H        ILE  39  -2.139 -20.307 -12.268
  322    HA   ILE  39           HA       ILE  39  -2.240 -20.763 -15.118
  323    HB   ILE  39           HB       ILE  39  -2.586 -23.107 -14.524
  324   1HG1  ILE  39          HG12      ILE  39  -2.471 -22.223 -11.610
  325   2HG1  ILE  39          HG13      ILE  39  -3.900 -22.830 -12.445
  326   1HG2  ILE  39          HG21      ILE  39  -0.315 -21.866 -12.918
  327   2HG2  ILE  39          HG22      ILE  39  -0.349 -23.445 -13.735
  328   3HG2  ILE  39          HG23      ILE  39  -0.343 -21.977 -14.690
  329   1HD1  ILE  39          HD11      ILE  39  -1.378 -24.475 -12.016
  330   2HD1  ILE  39          HD12      ILE  39  -2.826 -24.532 -11.010
  331   3HD1  ILE  39          HD13      ILE  39  -2.929 -25.009 -12.702
  332    H    SER  40           H        SER  40  -4.782 -20.112 -12.781
  333    HA   SER  40           HA       SER  40  -6.829 -20.824 -14.830
  334   1HB   SER  40          HB2       SER  40  -7.383 -20.567 -11.877
  335   2HB   SER  40          HB3       SER  40  -8.249 -21.497 -13.111
  336    HG   SER  40           HG       SER  40  -5.754 -21.923 -11.888
  337    H    CYS  41           H        CYS  41  -5.770 -18.430 -15.391
  338    HA   CYS  41           HA       CYS  41  -7.669 -16.397 -14.304
  339   1HB   CYS  41          HB2       CYS  41  -5.667 -16.121 -13.034
  340   2HB   CYS  41          HB3       CYS  41  -4.664 -16.365 -14.453
  341    H    HIS  42           H        HIS  42  -8.792 -15.630 -15.898
  342    HA   HIS  42           HA       HIS  42  -8.337 -16.289 -18.591
  343   1HB   HIS  42          HB2       HIS  42 -10.522 -15.983 -17.317
  344   2HB   HIS  42          HB3       HIS  42 -10.302 -14.243 -17.492
  345    HD1  HIS  42           HD1      HIS  42 -10.814 -17.390 -19.727
  346    HD2  HIS  42           HD2      HIS  42 -11.155 -13.191 -19.761
  347    HE1  HIS  42           HE1      HIS  42 -11.962 -16.784 -21.915
  348    H    LEU  43           H        LEU  43  -6.820 -13.703 -16.996
  349    HA   LEU  43           HA       LEU  43  -6.158 -12.645 -19.685
  350   1HB   LEU  43          HB2       LEU  43  -7.645 -11.034 -18.567
  351   2HB   LEU  43          HB3       LEU  43  -6.508 -10.909 -17.224
  352    HG   LEU  43           HG       LEU  43  -4.805  -9.922 -18.687
  353   1HD1  LEU  43          HD11      LEU  43  -6.826 -10.306 -20.950
  354   2HD1  LEU  43          HD12      LEU  43  -5.318  -9.367 -21.063
  355   3HD1  LEU  43          HD13      LEU  43  -5.247 -11.110 -20.809
  356   1HD2  LEU  43          HD21      LEU  43  -7.519  -8.615 -19.108
  357   2HD2  LEU  43          HD22      LEU  43  -6.489  -8.449 -17.668
  358   3HD2  LEU  43          HD23      LEU  43  -5.932  -7.826 -19.228
  359    H    CYS  44           H        CYS  44  -4.973 -13.727 -16.597
  360    HA   CYS  44           HA       CYS  44  -2.272 -12.904 -16.860
  361   1HB   CYS  44          HB2       CYS  44  -3.209 -15.575 -15.780
  362   2HB   CYS  44          HB3       CYS  44  -1.714 -14.736 -15.446
  363    H    LYS  45           H        LYS  45  -4.181 -15.400 -18.549
  364    HA   LYS  45           HA       LYS  45  -2.050 -16.739 -19.778
  365   1HB   LYS  45          HB2       LYS  45  -3.608 -17.837 -20.900
  366   2HB   LYS  45          HB3       LYS  45  -4.738 -17.012 -19.830
  367   1HG   LYS  45          HG2       LYS  45  -4.055 -16.073 -22.654
  368   2HG   LYS  45          HG3       LYS  45  -5.395 -17.127 -22.233
  369   1HD   LYS  45          HD2       LYS  45  -6.409 -15.472 -20.832
  370   2HD   LYS  45          HD3       LYS  45  -5.060 -14.331 -21.057
  371   1HE   LYS  45          HE2       LYS  45  -5.495 -14.213 -23.460
  372   2HE   LYS  45          HE3       LYS  45  -6.751 -15.459 -23.327
  373   1HZ   LYS  45          HZ1       LYS  45  -7.908 -13.449 -23.369
  374   2HZ   LYS  45          HZ2       LYS  45  -7.917 -13.845 -21.773
  375   3HZ   LYS  45          HZ3       LYS  45  -6.908 -12.686 -22.334
  376    H    GLU  46           H        GLU  46  -2.955 -13.409 -20.291
  377    HA   GLU  46           HA       GLU  46  -1.421 -13.337 -22.855
  378   1HB   GLU  46          HB2       GLU  46  -2.857 -11.145 -21.307
  379   2HB   GLU  46          HB3       GLU  46  -1.888 -10.869 -22.748
  380   1HG   GLU  46          HG2       GLU  46  -4.363 -12.623 -22.616
  381   2HG   GLU  46          HG3       GLU  46  -4.306 -10.990 -23.251
  382    H    ALA  47           H        ALA  47  -1.266 -12.492 -19.401
  383    HA   ALA  47           HA       ALA  47   1.114 -10.972 -19.482
  384   1HB   ALA  47          HB1       ALA  47   0.094 -12.726 -17.190
  385   2HB   ALA  47          HB2       ALA  47   1.261 -11.410 -17.069
  386   3HB   ALA  47          HB3       ALA  47  -0.423 -11.050 -17.502
  387    H    MET  48           H        MET  48   0.613 -14.495 -18.929
  388    HA   MET  48           HA       MET  48   3.255 -15.172 -18.341
  389   1HB   MET  48          HB2       MET  48   0.915 -16.641 -19.599
  390   2HB   MET  48          HB3       MET  48   2.396 -17.477 -19.141
  391   1HG   MET  48          HG2       MET  48   2.029 -17.183 -16.862
  392   2HG   MET  48          HG3       MET  48   1.109 -15.702 -17.068
  393   1HE   MET  48          HE1       MET  48   1.068 -19.478 -17.830
  394   2HE   MET  48          HE2       MET  48  -0.674 -19.840 -18.029
  395   3HE   MET  48          HE3       MET  48   0.176 -18.841 -19.231
  396    HA   PRO  49           HA       PRO  49   4.387 -15.979 -22.879
  397   1HB   PRO  49          HB2       PRO  49   3.007 -14.569 -24.855
  398   2HB   PRO  49          HB3       PRO  49   2.745 -16.292 -24.421
  399   1HG   PRO  49          HG2       PRO  49   1.179 -13.866 -23.612
  400   2HG   PRO  49          HG3       PRO  49   0.575 -15.495 -24.014
  401   1HD   PRO  49          HD2       PRO  49   0.854 -14.629 -21.437
  402   2HD   PRO  49          HD3       PRO  49   1.095 -16.332 -21.891
  403    H    GLN  50           H        GLN  50   2.998 -12.697 -22.009
  404    HA   GLN  50           HA       GLN  50   5.041 -11.367 -23.593
  405   1HB   GLN  50          HB2       GLN  50   2.723 -10.469 -22.890
  406   2HB   GLN  50          HB3       GLN  50   3.447 -10.202 -21.297
  407   1HG   GLN  50          HG2       GLN  50   5.299  -8.879 -22.616
  408   2HG   GLN  50          HG3       GLN  50   4.160  -8.921 -23.965
  409   1HE2  GLN  50          HE21      GLN  50   1.691  -8.424 -22.905
  410   2HE2  GLN  50          HE22      GLN  50   1.719  -6.948 -21.941
  411    H    VAL  51           H        VAL  51   4.635 -12.389 -20.235
  412    HA   VAL  51           HA       VAL  51   6.847 -11.207 -19.020
  413    HB   VAL  51           HB       VAL  51   5.172 -13.674 -18.583
  414   1HG1  VAL  51          HG11      VAL  51   6.183 -14.190 -16.476
  415   2HG1  VAL  51          HG12      VAL  51   7.377 -14.393 -17.753
  416   3HG1  VAL  51          HG13      VAL  51   7.434 -12.937 -16.720
  417   1HG2  VAL  51          HG21      VAL  51   4.260 -12.510 -16.757
  418   2HG2  VAL  51          HG22      VAL  51   5.603 -11.354 -16.677
  419   3HG2  VAL  51          HG23      VAL  51   4.423 -11.282 -18.013
  420    H    ASN  52           H        ASN  52   6.578 -14.430 -20.620
  421    HA   ASN  52           HA       ASN  52   9.293 -15.126 -20.525
  422   1HB   ASN  52          HB2       ASN  52   8.363 -16.882 -21.476
  423   2HB   ASN  52          HB3       ASN  52   6.934 -15.980 -21.977
  424   1HD2  ASN  52          HD22      ASN  52   6.782 -15.214 -24.131
  425   2HD2  ASN  52          HD21      ASN  52   8.000 -15.555 -25.351
  426    H    GLU  53           H        GLU  53   7.647 -13.096 -22.981
  427    HA   GLU  53           HA       GLU  53   9.951 -12.797 -24.627
  428   1HB   GLU  53          HB2       GLU  53   7.400 -11.162 -24.320
  429   2HB   GLU  53          HB3       GLU  53   8.667 -10.659 -25.395
  430   1HG   GLU  53          HG2       GLU  53   6.922 -13.096 -25.600
  431   2HG   GLU  53          HG3       GLU  53   7.135 -11.746 -26.727
  432    H    PHE  54           H        PHE  54   8.593 -10.342 -22.266
  433    HA   PHE  54           HA       PHE  54  10.885  -8.694 -22.740
  434   1HB   PHE  54          HB2       PHE  54  10.117  -7.291 -20.932
  435   2HB   PHE  54          HB3       PHE  54   8.876  -7.653 -22.099
  436    HD1  PHE  54           HD1      PHE  54   6.779  -7.743 -21.172
  437    HD2  PHE  54           HD2      PHE  54  10.115  -9.095 -18.782
  438    HE1  PHE  54           HE1      PHE  54   5.260  -8.160 -19.281
  439    HE2  PHE  54           HE2      PHE  54   8.566  -9.615 -16.935
  440    HZ   PHE  54           HZ       PHE  54   6.137  -9.098 -17.148
  441    H    ARG  55           H        ARG  55  10.358 -11.323 -20.424
  442    HA   ARG  55           HA       ARG  55  12.609 -10.845 -18.756
  443   1HB   ARG  55          HB2       ARG  55  11.079 -12.504 -18.116
  444   2HB   ARG  55          HB3       ARG  55  11.117 -13.319 -19.655
  445   1HG   ARG  55          HG2       ARG  55  13.434 -13.345 -17.681
  446   2HG   ARG  55          HG3       ARG  55  12.140 -14.536 -17.730
  447   1HD   ARG  55          HD2       ARG  55  14.352 -14.130 -19.737
  448   2HD   ARG  55          HD3       ARG  55  13.917 -15.571 -18.856
  449    HE   ARG  55           HE       ARG  55  12.170 -14.362 -20.969
  450   1HH1  ARG  55          HH22      ARG  55  13.350 -17.446 -19.554
  451   2HH1  ARG  55          HH21      ARG  55  12.765 -18.323 -20.947
  452   1HH2  ARG  55          HH11      ARG  55  11.416 -15.647 -22.629
  453   2HH2  ARG  55          HH12      ARG  55  11.682 -17.373 -22.574
  454    H    ASP  56           H        ASP  56  12.439 -12.454 -22.004
  455    HA   ASP  56           HA       ASP  56  15.284 -13.091 -21.896
  456   1HB   ASP  56          HB2       ASP  56  13.841 -14.498 -23.172
  457   2HB   ASP  56          HB3       ASP  56  13.272 -13.140 -24.158
  458    H    LYS  57           H        LYS  57  13.294 -10.552 -23.462
  459    HA   LYS  57           HA       LYS  57  15.446  -9.392 -24.937
  460   1HB   LYS  57          HB2       LYS  57  12.865  -8.125 -23.917
  461   2HB   LYS  57          HB3       LYS  57  13.931  -7.413 -25.142
  462   1HG   LYS  57          HG2       LYS  57  13.576  -9.289 -26.653
  463   2HG   LYS  57          HG3       LYS  57  12.687 -10.168 -25.419
  464   1HD   LYS  57          HD2       LYS  57  11.052  -8.096 -25.476
  465   2HD   LYS  57          HD3       LYS  57  11.753  -7.826 -27.079
  466   1HE   LYS  57          HE2       LYS  57  10.508 -10.429 -26.063
  467   2HE   LYS  57          HE3       LYS  57   9.637  -9.270 -27.051
  468   1HZ   LYS  57          HZ1       LYS  57  10.553 -11.211 -28.198
  469   2HZ   LYS  57          HZ2       LYS  57  11.059  -9.793 -28.881
  470   3HZ   LYS  57          HZ3       LYS  57  12.080 -10.687 -27.954
  471    H    TYR  58           H        TYR  58  14.348  -8.892 -21.618
  472    HA   TYR  58           HA       TYR  58  16.430  -6.778 -21.313
  473   1HB   TYR  58          HB2       TYR  58  13.908  -6.997 -19.710
  474   2HB   TYR  58          HB3       TYR  58  15.023  -5.640 -19.796
  475    HD1  TYR  58           HD1      TYR  58  15.403  -5.268 -22.747
  476    HD2  TYR  58           HD2      TYR  58  11.887  -6.127 -20.415
  477    HE1  TYR  58           HE1      TYR  58  13.999  -4.338 -24.549
  478    HE2  TYR  58           HE2      TYR  58  10.457  -5.202 -22.221
  479    HH   TYR  58           HH       TYR  58  11.813  -3.909 -25.279
  480    H    GLN  59           H        GLN  59  16.014  -9.958 -20.207
  481    HA   GLN  59           HA       GLN  59  16.455  -9.999 -17.617
  482   1HB   GLN  59          HB2       GLN  59  18.011 -12.036 -17.988
  483   2HB   GLN  59          HB3       GLN  59  16.345 -12.081 -18.508
  484   1HG   GLN  59          HG2       GLN  59  17.918 -13.147 -20.098
  485   2HG   GLN  59          HG3       GLN  59  16.908 -11.922 -20.803
  486   1HE2  GLN  59          HE22      GLN  59  17.942 -10.560 -22.206
  487   2HE2  GLN  59          HE21      GLN  59  19.631 -10.096 -22.112
  488    H    ASP  60           H        ASP  60  19.110  -8.811 -19.670
  489    HA   ASP  60           HA       ASP  60  21.039  -8.890 -17.447
  490   1HB   ASP  60          HB2       ASP  60  21.721  -9.281 -19.786
  491   2HB   ASP  60          HB3       ASP  60  21.178  -7.663 -20.226
  492    H    GLN  61           H        GLN  61  18.552  -6.816 -18.356
  493    HA   GLN  61           HA       GLN  61  19.827  -4.286 -17.410
  494   1HB   GLN  61          HB2       GLN  61  17.456  -4.743 -19.264
  495   2HB   GLN  61          HB3       GLN  61  18.272  -3.215 -18.982
  496   1HG   GLN  61          HG2       GLN  61  19.936  -3.671 -20.496
  497   2HG   GLN  61          HG3       GLN  61  20.036  -5.367 -20.073
  498   1HE2  GLN  61          HE22      GLN  61  19.470  -6.740 -21.753
  499   2HE2  GLN  61          HE21      GLN  61  18.152  -6.445 -22.857
  500    H    LEU  62           H        LEU  62  17.278  -6.571 -17.015
  501    HA   LEU  62           HA       LEU  62  15.772  -4.980 -14.988
  502   1HB   LEU  62          HB2       LEU  62  14.647  -4.848 -17.197
  503   2HB   LEU  62          HB3       LEU  62  14.842  -6.580 -17.411
  504    HG   LEU  62           HG       LEU  62  13.305  -6.993 -15.477
  505   1HD1  LEU  62          HD11      LEU  62  13.487  -4.822 -14.316
  506   2HD1  LEU  62          HD12      LEU  62  12.763  -3.999 -15.711
  507   3HD1  LEU  62          HD13      LEU  62  11.817  -5.162 -14.756
  508   1HD2  LEU  62          HD21      LEU  62  12.521  -7.248 -17.705
  509   2HD2  LEU  62          HD22      LEU  62  11.264  -6.409 -16.789
  510   3HD2  LEU  62          HD23      LEU  62  12.320  -5.498 -17.906
  511    H    ASN  63           H        ASN  63  15.315  -6.225 -13.199
  512    HA   ASN  63           HA       ASN  63  15.848  -9.157 -13.219
  513   1HB   ASN  63          HB2       ASN  63  15.031  -7.191 -11.080
  514   2HB   ASN  63          HB3       ASN  63  15.078  -8.922 -10.811
  515   1HD2  ASN  63          HD21      ASN  63  16.603  -6.498  -9.744
  516   2HD2  ASN  63          HD22      ASN  63  18.254  -7.119  -9.693
  517    H    VAL  64           H        VAL  64  14.022 -10.570 -13.016
  518    HA   VAL  64           HA       VAL  64  11.326  -9.325 -12.861
  519    HB   VAL  64           HB       VAL  64  12.046 -11.677 -14.665
  520   1HG1  VAL  64          HG11      VAL  64   9.747 -11.430 -15.510
  521   2HG1  VAL  64          HG12      VAL  64   9.721 -11.716 -13.770
  522   3HG1  VAL  64          HG13      VAL  64   9.457 -10.079 -14.386
  523   1HG2  VAL  64          HG21      VAL  64  11.417  -8.798 -15.455
  524   2HG2  VAL  64          HG22      VAL  64  12.955  -9.654 -15.713
  525   3HG2  VAL  64          HG23      VAL  64  11.511 -10.175 -16.578
  526    H    VAL  65           H        VAL  65  10.072 -10.340 -11.342
  527    HA   VAL  65           HA       VAL  65  10.724 -13.091 -10.552
  528    HB   VAL  65           HB       VAL  65  10.664 -12.734  -8.244
  529   1HG1  VAL  65          HG11      VAL  65  12.316 -10.368  -9.194
  530   2HG1  VAL  65          HG12      VAL  65  12.486 -11.266  -7.677
  531   3HG1  VAL  65          HG13      VAL  65  12.844 -12.067  -9.215
  532   1HG2  VAL  65          HG21      VAL  65   9.750  -9.902  -8.748
  533   2HG2  VAL  65          HG22      VAL  65   8.851 -11.221  -7.937
  534   3HG2  VAL  65          HG23      VAL  65  10.261 -10.512  -7.155
  535    H    ALA  66           H        ALA  66   8.767 -14.122  -9.622
  536    HA   ALA  66           HA       ALA  66   6.264 -12.882 -10.697
  537   1HB   ALA  66          HB1       ALA  66   5.848 -15.048 -11.726
  538   2HB   ALA  66          HB2       ALA  66   7.402 -14.412 -12.277
  539   3HB   ALA  66          HB3       ALA  66   7.380 -15.682 -11.051
  540    H    VAL  67           H        VAL  67   4.344 -13.703  -9.742
  541    HA   VAL  67           HA       VAL  67   4.671 -15.311  -7.276
  542    HB   VAL  67           HB       VAL  67   2.832 -12.906  -7.511
  543   1HG1  VAL  67          HG11      VAL  67   2.247 -14.578  -5.801
  544   2HG1  VAL  67          HG12      VAL  67   3.889 -14.504  -5.132
  545   3HG1  VAL  67          HG13      VAL  67   2.823 -13.095  -5.033
  546   1HG2  VAL  67          HG21      VAL  67   4.480 -11.669  -6.078
  547   2HG2  VAL  67          HG22      VAL  67   5.668 -12.944  -6.397
  548   3HG2  VAL  67          HG23      VAL  67   5.028 -11.940  -7.726
  549    H    HIS  68           H        HIS  68   3.344 -17.060  -7.369
  550    HA   HIS  68           HA       HIS  68   1.223 -17.112  -9.455
  551   1HB   HIS  68          HB2       HIS  68   2.732 -19.086  -9.266
  552   2HB   HIS  68          HB3       HIS  68   2.152 -19.328  -7.610
  553    HD1  HIS  68           HD1      HIS  68  -0.446 -20.244  -7.415
  554    HD2  HIS  68           HD2      HIS  68   0.953 -19.366 -11.282
  555    HE1  HIS  68           HE1      HIS  68  -2.271 -20.958  -9.029
  556    H    MET  69           H        MET  69  -0.879 -16.832  -8.854
  557    HA   MET  69           HA       MET  69  -1.391 -16.282  -5.971
  558   1HB   MET  69          HB2       MET  69  -1.081 -14.316  -7.127
  559   2HB   MET  69          HB3       MET  69  -2.056 -14.829  -8.508
  560   1HG   MET  69          HG2       MET  69  -3.166 -13.145  -7.020
  561   2HG   MET  69          HG3       MET  69  -4.072 -14.623  -7.322
  562   1HE   MET  69          HE1       MET  69  -5.651 -14.770  -5.854
  563   2HE   MET  69          HE2       MET  69  -5.583 -14.797  -4.084
  564   3HE   MET  69          HE3       MET  69  -5.489 -13.241  -4.962
  565    HA   PRO  70           HA       PRO  70  -4.310 -19.762  -6.502
  566   1HB   PRO  70          HB2       PRO  70  -5.096 -18.553  -3.827
  567   2HB   PRO  70          HB3       PRO  70  -5.019 -20.270  -4.306
  568   1HG   PRO  70          HG2       PRO  70  -2.982 -19.159  -2.946
  569   2HG   PRO  70          HG3       PRO  70  -2.614 -20.200  -4.365
  570   1HD   PRO  70          HD2       PRO  70  -2.706 -17.168  -4.206
  571   2HD   PRO  70          HD3       PRO  70  -1.489 -18.233  -4.997
  572    H    ARG  71           H        ARG  71  -6.088 -19.634  -7.734
  573    HA   ARG  71           HA       ARG  71  -8.252 -17.694  -6.969
  574   1HB   ARG  71          HB2       ARG  71  -7.067 -18.448  -9.626
  575   2HB   ARG  71          HB3       ARG  71  -8.782 -18.025  -9.541
  576   1HG   ARG  71          HG2       ARG  71  -8.336 -15.864  -8.599
  577   2HG   ARG  71          HG3       ARG  71  -6.626 -16.237  -8.341
  578   1HD   ARG  71          HD2       ARG  71  -7.096 -14.754 -10.315
  579   2HD   ARG  71          HD3       ARG  71  -6.126 -16.189 -10.625
  580    HE   ARG  71           HE       ARG  71  -7.816 -17.184 -11.860
  581   1HH1  ARG  71          HH21      ARG  71  -9.062 -14.097 -10.596
  582   2HH1  ARG  71          HH22      ARG  71 -10.494 -14.152 -11.554
  583   1HH2  ARG  71          HH11      ARG  71  -9.645 -17.285 -13.046
  584   2HH2  ARG  71          HH12      ARG  71 -10.848 -16.031 -13.008
  585    H    SER  72           H        SER  72  -7.586 -21.090  -7.507
  586    HA   SER  72           HA       SER  72 -10.390 -21.764  -6.980
  587   1HB   SER  72          HB2       SER  72  -8.940 -22.898  -9.417
  588   2HB   SER  72          HB3       SER  72 -10.612 -23.188  -8.927
  589    HG   SER  72           HG       SER  72 -10.487 -21.695 -10.635
  590    H    GLU  73           H        GLU  73 -10.503 -24.204  -6.483
  591    HA   GLU  73           HA       GLU  73  -8.232 -25.088  -4.991
  592   1HB   GLU  73          HB2       GLU  73  -9.407 -27.191  -4.745
  593   2HB   GLU  73          HB3       GLU  73 -10.491 -25.826  -4.484
  594   1HG   GLU  73          HG2       GLU  73 -11.383 -26.133  -6.817
  595   2HG   GLU  73          HG3       GLU  73 -10.350 -27.553  -6.996
  596    H    ASP  74           H        ASP  74  -9.230 -25.620  -8.360
  597    HA   ASP  74           HA       ASP  74  -7.095 -27.503  -8.917
  598   1HB   ASP  74          HB2       ASP  74  -9.334 -27.495 -10.059
  599   2HB   ASP  74          HB3       ASP  74  -8.916 -25.949 -10.801
  600    H    ASP  75           H        ASP  75  -6.842 -24.412  -8.185
  601    HA   ASP  75           HA       ASP  75  -4.903 -23.610 -10.315
  602   1HB   ASP  75          HB2       ASP  75  -6.811 -22.070  -9.558
  603   2HB   ASP  75          HB3       ASP  75  -5.940 -21.922  -8.021
  604    H    LEU  76           H        LEU  76  -5.102 -25.037  -7.219
  605    HA   LEU  76           HA       LEU  76  -2.721 -23.851  -6.028
  606   1HB   LEU  76          HB2       LEU  76  -4.303 -26.325  -5.207
  607   2HB   LEU  76          HB3       LEU  76  -3.187 -25.408  -4.201
  608    HG   LEU  76           HG       LEU  76  -5.862 -24.411  -5.272
  609   1HD1  LEU  76          HD11      LEU  76  -6.599 -24.538  -2.928
  610   2HD1  LEU  76          HD12      LEU  76  -6.084 -26.126  -3.520
  611   3HD1  LEU  76          HD13      LEU  76  -5.016 -25.191  -2.450
  612   1HD2  LEU  76          HD21      LEU  76  -5.522 -22.492  -3.732
  613   2HD2  LEU  76          HD22      LEU  76  -3.867 -23.053  -3.403
  614   3HD2  LEU  76          HD23      LEU  76  -4.333 -22.526  -5.039
  615    H    ASP  77           H        ASP  77  -3.376 -26.453  -8.170
  616    HA   ASP  77           HA       ASP  77  -1.841 -28.544  -7.328
  617   1HB   ASP  77          HB2       ASP  77  -3.542 -28.564  -9.088
  618   2HB   ASP  77          HB3       ASP  77  -2.414 -27.792 -10.200
  619    HA   PRO  78           HA       PRO  78   2.243 -26.568  -7.650
  620   1HB   PRO  78          HB2       PRO  78   3.101 -29.380  -6.985
  621   2HB   PRO  78          HB3       PRO  78   3.670 -27.831  -6.292
  622   1HG   PRO  78          HG2       PRO  78   1.915 -29.393  -4.932
  623   2HG   PRO  78          HG3       PRO  78   1.690 -27.611  -4.975
  624   1HD   PRO  78          HD2       PRO  78   0.277 -29.723  -6.615
  625   2HD   PRO  78          HD3       PRO  78  -0.398 -28.282  -5.801
  626    H    GLY  79           H        GLY  79   1.274 -29.601  -9.242
  627   1HA   GLY  79          HA2       GLY  79   3.636 -29.854 -10.916
  628   2HA   GLY  79          HA3       GLY  79   2.115 -30.773 -11.008
  629    H    LYS  80           H        LYS  80   0.183 -28.705 -11.294
  630    HA   LYS  80           HA       LYS  80   0.694 -28.048 -14.060
  631   1HB   LYS  80          HB2       LYS  80  -1.568 -28.552 -13.284
  632   2HB   LYS  80          HB3       LYS  80  -1.586 -27.046 -12.330
  633   1HG   LYS  80          HG2       LYS  80  -1.297 -25.702 -14.307
  634   2HG   LYS  80          HG3       LYS  80  -0.867 -27.101 -15.294
  635   1HD   LYS  80          HD2       LYS  80  -3.168 -27.892 -15.260
  636   2HD   LYS  80          HD3       LYS  80  -3.657 -26.554 -14.179
  637   1HE   LYS  80          HE2       LYS  80  -2.844 -24.894 -15.827
  638   2HE   LYS  80          HE3       LYS  80  -2.204 -26.192 -16.832
  639   1HZ   LYS  80          HZ1       LYS  80  -4.495 -26.931 -17.233
  640   2HZ   LYS  80          HZ2       LYS  80  -5.095 -25.742 -16.284
  641   3HZ   LYS  80          HZ3       LYS  80  -4.333 -25.374 -17.677
  642    H    ILE  81           H        ILE  81   1.095 -26.115 -11.028
  643    HA   ILE  81           HA       ILE  81   1.446 -23.649 -12.460
  644    HB   ILE  81           HB       ILE  81   2.668 -24.527  -9.824
  645   1HG1  ILE  81          HG12      ILE  81   0.246 -22.711 -10.069
  646   2HG1  ILE  81          HG13      ILE  81  -0.003 -24.436 -10.156
  647   1HG2  ILE  81          HG21      ILE  81   2.867 -22.087  -9.362
  648   2HG2  ILE  81          HG22      ILE  81   3.776 -22.511 -10.815
  649   3HG2  ILE  81          HG23      ILE  81   2.208 -21.729 -10.971
  650   1HD1  ILE  81          HD11      ILE  81   1.382 -23.035  -7.858
  651   2HD1  ILE  81          HD12      ILE  81  -0.261 -23.719  -7.864
  652   3HD1  ILE  81          HD13      ILE  81   1.145 -24.789  -8.056
  653    H    LYS  82           H        LYS  82   3.791 -26.105 -11.281
  654    HA   LYS  82           HA       LYS  82   6.135 -25.124 -12.484
  655   1HB   LYS  82          HB2       LYS  82   6.330 -26.942 -10.975
  656   2HB   LYS  82          HB3       LYS  82   5.083 -27.873 -11.784
  657   1HG   LYS  82          HG2       LYS  82   7.173 -28.940 -12.150
  658   2HG   LYS  82          HG3       LYS  82   6.541 -28.340 -13.676
  659   1HD   LYS  82          HD2       LYS  82   8.144 -26.378 -13.511
  660   2HD   LYS  82          HD3       LYS  82   8.747 -27.064 -11.999
  661   1HE   LYS  82          HE2       LYS  82  10.268 -27.729 -13.723
  662   2HE   LYS  82          HE3       LYS  82   9.368 -29.163 -13.228
  663   1HZ   LYS  82          HZ1       LYS  82   9.565 -29.001 -15.627
  664   2HZ   LYS  82          HZ2       LYS  82   7.983 -28.909 -15.239
  665   3HZ   LYS  82          HZ3       LYS  82   8.817 -27.554 -15.655
  666    H    GLU  83           H        GLU  83   3.656 -27.329 -13.978
  667    HA   GLU  83           HA       GLU  83   5.308 -27.500 -16.332
  668   1HB   GLU  83          HB2       GLU  83   2.484 -28.441 -15.732
  669   2HB   GLU  83          HB3       GLU  83   3.271 -28.696 -17.294
  670   1HG   GLU  83          HG2       GLU  83   4.374 -29.704 -14.632
  671   2HG   GLU  83          HG3       GLU  83   3.477 -30.667 -15.797
  672    H    THR  84           H        THR  84   2.321 -25.579 -15.616
  673    HA   THR  84           HA       THR  84   2.178 -24.546 -18.266
  674    HB   THR  84           HB       THR  84   1.296 -23.129 -15.725
  675    HG1  THR  84           HG1      THR  84   0.438 -25.117 -15.579
  676   1HG2  THR  84          HG21      THR  84   0.170 -23.139 -18.562
  677   2HG2  THR  84          HG22      THR  84  -0.557 -22.306 -17.169
  678   3HG2  THR  84          HG23      THR  84   1.030 -21.800 -17.773
  679    H    ALA  85           H        ALA  85   4.077 -23.522 -15.413
  680    HA   ALA  85           HA       ALA  85   5.111 -21.118 -16.532
  681   1HB   ALA  85          HB1       ALA  85   6.491 -23.090 -14.648
  682   2HB   ALA  85          HB2       ALA  85   7.019 -21.443 -15.008
  683   3HB   ALA  85          HB3       ALA  85   5.481 -21.718 -14.154
  684    H    ALA  86           H        ALA  86   6.047 -24.553 -16.995
  685    HA   ALA  86           HA       ALA  86   8.462 -23.903 -18.473
  686   1HB   ALA  86          HB1       ALA  86   6.865 -26.507 -18.340
  687   2HB   ALA  86          HB2       ALA  86   8.505 -26.303 -18.978
  688   3HB   ALA  86          HB3       ALA  86   8.195 -26.045 -17.249
  689    H    GLU  87           H        GLU  87   5.043 -24.693 -19.234
  690    HA   GLU  87           HA       GLU  87   5.450 -24.930 -22.037
  691   1HB   GLU  87          HB2       GLU  87   2.985 -24.354 -20.360
  692   2HB   GLU  87          HB3       GLU  87   2.919 -24.414 -22.122
  693   1HG   GLU  87          HG2       GLU  87   3.869 -26.702 -22.105
  694   2HG   GLU  87          HG3       GLU  87   3.867 -26.700 -20.346
  695    H    HIS  88           H        HIS  88   4.861 -22.084 -19.983
  696    HA   HIS  88           HA       HIS  88   4.752 -20.336 -22.368
  697   1HB   HIS  88          HB2       HIS  88   4.171 -19.928 -19.429
  698   2HB   HIS  88          HB3       HIS  88   4.345 -18.572 -20.543
  699    HD1  HIS  88           HD1      HIS  88   2.407 -18.180 -22.333
  700    HD2  HIS  88           HD2      HIS  88   2.029 -21.649 -19.988
  701    HE1  HIS  88           HE1      HIS  88   0.064 -19.079 -22.757
  702    H    ASP  89           H        ASP  89   7.254 -21.709 -20.684
  703    HA   ASP  89           HA       ASP  89   9.436 -21.358 -20.634
  704   1HB   ASP  89          HB2       ASP  89   9.134 -20.816 -23.071
  705   2HB   ASP  89          HB3       ASP  89   9.163 -19.100 -22.656
  706    H    ILE  90           H        ILE  90   7.889 -20.242 -18.686
  707    HA   ILE  90           HA       ILE  90   8.960 -17.620 -17.886
  708    HB   ILE  90           HB       ILE  90   7.051 -19.677 -16.682
  709   1HG1  ILE  90          HG12      ILE  90   6.558 -16.880 -17.813
  710   2HG1  ILE  90          HG13      ILE  90   6.237 -18.374 -18.678
  711   1HG2  ILE  90          HG21      ILE  90   6.506 -18.125 -14.927
  712   2HG2  ILE  90          HG22      ILE  90   8.238 -18.452 -14.858
  713   3HG2  ILE  90          HG23      ILE  90   7.638 -16.937 -15.573
  714   1HD1  ILE  90          HD11      ILE  90   4.786 -17.451 -16.173
  715   2HD1  ILE  90          HD12      ILE  90   4.186 -17.521 -17.829
  716   3HD1  ILE  90          HD13      ILE  90   4.548 -19.026 -16.982
  717    H    THR  91           H        THR  91  11.057 -17.626 -17.116
  718    HA   THR  91           HA       THR  91  12.121 -20.108 -15.835
  719    HB   THR  91           HB       THR  91  14.304 -19.294 -16.745
  720    HG1  THR  91           HG1      THR  91  13.932 -17.170 -17.124
  721   1HG2  THR  91          HG21      THR  91  12.142 -19.745 -18.848
  722   2HG2  THR  91          HG22      THR  91  13.891 -19.984 -19.045
  723   3HG2  THR  91          HG23      THR  91  12.976 -21.018 -17.936
  724    H    GLN  92           H        GLN  92  11.289 -16.859 -15.122
  725    HA   GLN  92           HA       GLN  92  13.398 -16.318 -13.241
  726   1HB   GLN  92          HB2       GLN  92  12.137 -14.413 -12.624
  727   2HB   GLN  92          HB3       GLN  92  12.079 -14.522 -14.361
  728   1HG   GLN  92          HG2       GLN  92   9.788 -15.523 -12.591
  729   2HG   GLN  92          HG3       GLN  92   9.979 -13.842 -13.014
  730   1HE2  GLN  92          HE22      GLN  92   7.743 -14.107 -14.022
  731   2HE2  GLN  92          HE21      GLN  92   7.735 -14.717 -15.632
  732    HA   PRO  93           HA       PRO  93  11.905 -18.326  -9.482
  733   1HB   PRO  93          HB2       PRO  93  11.902 -15.528  -8.322
  734   2HB   PRO  93          HB3       PRO  93  12.552 -17.031  -7.602
  735   1HG   PRO  93          HG2       PRO  93  14.201 -15.213  -8.788
  736   2HG   PRO  93          HG3       PRO  93  14.473 -16.961  -9.047
  737   1HD   PRO  93          HD2       PRO  93  13.157 -14.922 -10.815
  738   2HD   PRO  93          HD3       PRO  93  14.273 -16.252 -11.258
  739    H    ILE  94           H        ILE  94   9.910 -18.806  -8.615
  740    HA   ILE  94           HA       ILE  94   7.639 -16.937  -9.074
  741    HB   ILE  94           HB       ILE  94   7.689 -19.955  -9.289
  742   1HG1  ILE  94          HG12      ILE  94   8.689 -18.680 -11.279
  743   2HG1  ILE  94          HG13      ILE  94   7.556 -19.976 -11.528
  744   1HG2  ILE  94          HG21      ILE  94   5.301 -19.698 -10.060
  745   2HG2  ILE  94          HG22      ILE  94   5.584 -19.305  -8.362
  746   3HG2  ILE  94          HG23      ILE  94   5.370 -18.001  -9.527
  747   1HD1  ILE  94          HD11      ILE  94   6.283 -18.688 -12.788
  748   2HD1  ILE  94          HD12      ILE  94   6.110 -17.459 -11.535
  749   3HD1  ILE  94          HD13      ILE  94   7.483 -17.401 -12.652
  750    H    PHE  95           H        PHE  95   7.230 -16.175  -7.074
  751    HA   PHE  95           HA       PHE  95   7.514 -17.736  -4.603
  752   1HB   PHE  95          HB2       PHE  95   6.161 -15.085  -5.310
  753   2HB   PHE  95          HB3       PHE  95   6.195 -15.767  -3.695
  754    HD1  PHE  95           HD1      PHE  95   8.349 -15.971  -2.441
  755    HD2  PHE  95           HD2      PHE  95   8.096 -13.847  -6.205
  756    HE1  PHE  95           HE1      PHE  95  10.485 -14.822  -1.954
  757    HE2  PHE  95           HE2      PHE  95  10.249 -12.748  -5.717
  758    HZ   PHE  95           HZ       PHE  95  11.451 -13.229  -3.597
  759    H    VAL  96           H        VAL  96   6.060 -19.552  -4.470
  760    HA   VAL  96           HA       VAL  96   3.379 -19.191  -5.684
  761    HB   VAL  96           HB       VAL  96   4.357 -21.665  -4.244
  762   1HG1  VAL  96          HG11      VAL  96   2.616 -22.705  -5.738
  763   2HG1  VAL  96          HG12      VAL  96   1.905 -21.440  -4.710
  764   3HG1  VAL  96          HG13      VAL  96   2.252 -21.129  -6.411
  765   1HG2  VAL  96          HG21      VAL  96   5.996 -21.292  -6.024
  766   2HG2  VAL  96          HG22      VAL  96   4.939 -22.644  -6.421
  767   3HG2  VAL  96          HG23      VAL  96   4.682 -21.073  -7.211
  768    H    ASP  97           H        ASP  97   1.621 -18.713  -4.426
  769    HA   ASP  97           HA       ASP  97   2.176 -18.147  -1.549
  770   1HB   ASP  97          HB2       ASP  97   1.632 -16.280  -3.211
  771   2HB   ASP  97          HB3       ASP  97  -0.004 -16.941  -3.280
  772    H    SER  98           H        SER  98   0.730 -19.048   0.029
  773    HA   SER  98           HA       SER  98  -0.765 -21.375  -0.829
  774   1HB   SER  98          HB2       SER  98  -0.704 -19.973   1.874
  775   2HB   SER  98          HB3       SER  98  -1.325 -21.600   1.533
  776    HG   SER  98           HG       SER  98   0.780 -21.717   2.325
  777    H    ASP  99           H        ASP  99  -1.549 -17.995  -0.018
  778    HA   ASP  99           HA       ASP  99  -4.117 -17.967  -1.140
  779   1HB   ASP  99          HB2       ASP  99  -4.972 -19.398   0.578
  780   2HB   ASP  99          HB3       ASP  99  -4.173 -18.464   1.852
  781    H    HIS 100           H        HIS 100  -2.900 -16.198  -1.869
  782    HA   HIS 100           HA       HIS 100  -2.387 -14.070  -2.094
  783   1HB   HIS 100          HB2       HIS 100  -4.241 -12.680  -1.872
  784   2HB   HIS 100          HB3       HIS 100  -4.892 -14.284  -2.018
  785    HD1  HIS 100           HD1      HIS 100  -6.298 -15.199   0.119
  786    HD2  HIS 100           HD2      HIS 100  -4.508 -11.404   0.505
  787    HE1  HIS 100           HE1      HIS 100  -7.377 -14.101   2.146
  788    H    ALA 101           H        ALA 101  -0.945 -15.128   0.361
  789    HA   ALA 101           HA       ALA 101  -1.098 -13.288   2.496
  790   1HB   ALA 101          HB1       ALA 101   1.121 -14.185   3.128
  791   2HB   ALA 101          HB2       ALA 101   0.022 -15.486   2.628
  792   3HB   ALA 101          HB3       ALA 101   1.294 -14.928   1.522
  793    H    LEU 102           H        LEU 102   1.219 -13.249  -0.295
  794    HA   LEU 102           HA       LEU 102   2.439 -10.759   0.566
  795   1HB   LEU 102          HB2       LEU 102   3.406 -12.522  -1.005
  796   2HB   LEU 102          HB3       LEU 102   2.374 -11.862  -2.249
  797    HG   LEU 102           HG       LEU 102   4.818 -10.582  -0.901
  798   1HD1  LEU 102          HD11      LEU 102   5.163 -12.174  -2.750
  799   2HD1  LEU 102          HD12      LEU 102   4.109 -11.202  -3.797
  800   3HD1  LEU 102          HD13      LEU 102   5.634 -10.533  -3.213
  801   1HD2  LEU 102          HD21      LEU 102   2.837  -9.099  -2.646
  802   2HD2  LEU 102          HD22      LEU 102   3.467  -8.646  -1.048
  803   3HD2  LEU 102          HD23      LEU 102   4.523  -8.625  -2.447
  804    H    THR 103           H        THR 103  -0.473 -11.598  -1.364
  805    HA   THR 103           HA       THR 103  -0.904  -9.084  -2.615
  806    HB   THR 103           HB       THR 103  -3.127 -10.850  -1.594
  807    HG1  THR 103           HG1      THR 103  -2.722 -12.159  -3.518
  808   1HG2  THR 103          HG21      THR 103  -4.203 -10.334  -3.641
  809   2HG2  THR 103          HG22      THR 103  -3.562  -8.829  -2.949
  810   3HG2  THR 103          HG23      THR 103  -2.720  -9.622  -4.317
  811    H    ASP 104           H        ASP 104  -1.667 -10.349   0.658
  812    HA   ASP 104           HA       ASP 104  -3.259  -7.989   1.366
  813   1HB   ASP 104          HB2       ASP 104  -3.796 -10.168   2.331
  814   2HB   ASP 104          HB3       ASP 104  -2.156 -10.365   2.938
  815    H    ALA 105           H        ALA 105   0.087  -8.888   1.352
  816    HA   ALA 105           HA       ALA 105   0.876  -7.234   3.632
  817   1HB   ALA 105          HB1       ALA 105   2.612  -8.576   1.506
  818   2HB   ALA 105          HB2       ALA 105   3.153  -7.919   3.059
  819   3HB   ALA 105          HB3       ALA 105   2.094  -9.344   3.028
  820    H    PHE 106           H        PHE 106   0.551  -6.885   0.163
  821    HA   PHE 106           HA       PHE 106   1.385  -4.046   0.425
  822   1HB   PHE 106          HB2       PHE 106   2.764  -4.078  -1.302
  823   2HB   PHE 106          HB3       PHE 106   3.124  -5.582  -0.534
  824    HD1  PHE 106           HD1      PHE 106   4.059  -4.825  -3.195
  825    HD2  PHE 106           HD2      PHE 106   0.495  -6.959  -2.035
  826    HE1  PHE 106           HE1      PHE 106   3.985  -5.858  -5.402
  827    HE2  PHE 106           HE2      PHE 106   0.483  -8.075  -4.246
  828    HZ   PHE 106           HZ       PHE 106   2.157  -7.455  -5.970
  829    H    GLU 107           H        GLU 107  -1.185  -5.569   0.408
  830    HA   GLU 107           HA       GLU 107  -3.258  -5.546  -0.426
  831   1HB   GLU 107          HB2       GLU 107  -4.309  -3.357  -0.093
  832   2HB   GLU 107          HB3       GLU 107  -3.276  -3.915   1.214
  833   1HG   GLU 107          HG2       GLU 107  -1.488  -2.400   0.559
  834   2HG   GLU 107          HG3       GLU 107  -2.398  -1.867  -0.859
  835    H    ASN 108           H        ASN 108  -1.915  -6.168  -2.592
  836    HA   ASN 108           HA       ASN 108  -2.442  -4.621  -4.916
  837   1HB   ASN 108          HB2       ASN 108  -0.894  -6.344  -5.108
  838   2HB   ASN 108          HB3       ASN 108  -1.916  -7.519  -4.303
  839   1HD2  ASN 108          HD22      ASN 108  -1.163  -8.915  -6.166
  840   2HD2  ASN 108          HD21      ASN 108  -2.264  -8.901  -7.521
  841    H    GLU 109           H        GLU 109  -4.369  -7.345  -3.574
  842    HA   GLU 109           HA       GLU 109  -6.476  -7.975  -3.750
  843   1HB   GLU 109          HB2       GLU 109  -7.104  -5.021  -4.066
  844   2HB   GLU 109          HB3       GLU 109  -8.238  -6.277  -3.597
  845   1HG   GLU 109          HG2       GLU 109  -5.783  -5.449  -1.991
  846   2HG   GLU 109          HG3       GLU 109  -7.442  -4.977  -1.672
  847    H    TYR 110           H        TYR 110  -4.974  -7.273  -6.523
  848    HA   TYR 110           HA       TYR 110  -7.246  -8.378  -8.109
  849   1HB   TYR 110          HB2       TYR 110  -5.047  -6.531  -9.097
  850   2HB   TYR 110          HB3       TYR 110  -6.301  -7.262 -10.085
  851    HD1  TYR 110           HD1      TYR 110  -8.710  -6.538  -9.839
  852    HD2  TYR 110           HD2      TYR 110  -5.462  -4.539  -7.836
  853    HE1  TYR 110           HE1      TYR 110 -10.166  -4.567  -9.465
  854    HE2  TYR 110           HE2      TYR 110  -6.901  -2.554  -7.454
  855    HH   TYR 110           HH       TYR 110  -9.015  -1.614  -7.760
  856    H    VAL 111           H        VAL 111  -5.908  -9.395 -10.279
  857    HA   VAL 111           HA       VAL 111  -3.685 -10.941  -9.061
  858    HB   VAL 111           HB       VAL 111  -5.832 -12.234 -10.733
  859   1HG1  VAL 111          HG11      VAL 111  -4.446 -14.261  -9.924
  860   2HG1  VAL 111          HG12      VAL 111  -3.704 -13.259 -11.186
  861   3HG1  VAL 111          HG13      VAL 111  -3.162 -13.082  -9.530
  862   1HG2  VAL 111          HG21      VAL 111  -6.702 -11.781  -8.512
  863   2HG2  VAL 111          HG22      VAL 111  -6.225 -13.482  -8.560
  864   3HG2  VAL 111          HG23      VAL 111  -5.183 -12.291  -7.754
  865    HA   PRO 112           HA       PRO 112  -2.081 -10.616 -13.396
  866   1HB   PRO 112          HB2       PRO 112  -3.356  -9.306 -15.437
  867   2HB   PRO 112          HB3       PRO 112  -3.517 -11.058 -15.114
  868   1HG   PRO 112          HG2       PRO 112  -5.399  -8.839 -14.219
  869   2HG   PRO 112          HG3       PRO 112  -5.822 -10.394 -14.998
  870   1HD   PRO 112          HD2       PRO 112  -5.978 -10.068 -12.298
  871   2HD   PRO 112          HD3       PRO 112  -5.428 -11.609 -13.032
  872    H    ALA 113           H        ALA 113  -1.094  -9.371 -11.796
  873    HA   ALA 113           HA       ALA 113  -1.427  -6.390 -12.030
  874   1HB   ALA 113          HB1       ALA 113  -1.423  -6.258  -9.582
  875   2HB   ALA 113          HB2       ALA 113  -2.764  -7.288 -10.119
  876   3HB   ALA 113          HB3       ALA 113  -1.289  -8.028  -9.463
  877    H    TYR 114           H        TYR 114   0.417  -5.143 -11.615
  878    HA   TYR 114           HA       TYR 114   2.962  -6.654 -11.352
  879   1HB   TYR 114          HB2       TYR 114   3.231  -4.805 -13.504
  880   2HB   TYR 114          HB3       TYR 114   3.361  -6.551 -13.542
  881    HD1  TYR 114           HD1      TYR 114   1.481  -7.968 -14.255
  882    HD2  TYR 114           HD2      TYR 114   1.104  -3.672 -14.145
  883    HE1  TYR 114           HE1      TYR 114  -0.693  -8.133 -15.424
  884    HE2  TYR 114           HE2      TYR 114  -1.068  -3.832 -15.350
  885    HH   TYR 114           HH       TYR 114  -2.612  -5.236 -16.301
  886    H    TYR 115           H        TYR 115   4.659  -5.487 -10.652
  887    HA   TYR 115           HA       TYR 115   4.202  -2.699  -9.705
  888   1HB   TYR 115          HB2       TYR 115   5.105  -5.125  -8.079
  889   2HB   TYR 115          HB3       TYR 115   5.124  -3.461  -7.518
  890    HD1  TYR 115           HD1      TYR 115   3.210  -2.474  -6.520
  891    HD2  TYR 115           HD2      TYR 115   2.846  -6.231  -8.617
  892    HE1  TYR 115           HE1      TYR 115   0.803  -2.588  -5.915
  893    HE2  TYR 115           HE2      TYR 115   0.435  -6.324  -8.027
  894    HH   TYR 115           HH       TYR 115  -1.199  -3.563  -6.421
  895    H    VAL 116           H        VAL 116   5.905  -1.505 -10.337
  896    HA   VAL 116           HA       VAL 116   8.351  -2.906 -11.291
  897    HB   VAL 116           HB       VAL 116   7.456  -0.149 -12.185
  898   1HG1  VAL 116          HG11      VAL 116   8.694  -0.741 -14.205
  899   2HG1  VAL 116          HG12      VAL 116   9.713  -1.025 -12.787
  900   3HG1  VAL 116          HG13      VAL 116   8.946  -2.399 -13.612
  901   1HG2  VAL 116          HG21      VAL 116   6.378  -2.722 -13.404
  902   2HG2  VAL 116          HG22      VAL 116   5.432  -1.415 -12.664
  903   3HG2  VAL 116          HG23      VAL 116   6.298  -1.118 -14.164
  904    H    PHE 117           H        PHE 117  10.221  -2.356 -10.218
  905    HA   PHE 117           HA       PHE 117  10.206  -0.033  -8.356
  906   1HB   PHE 117          HB2       PHE 117  11.459  -2.795  -7.984
  907   2HB   PHE 117          HB3       PHE 117  11.690  -1.433  -6.914
  908    HD1  PHE 117           HD1      PHE 117   8.951  -3.626  -8.306
  909    HD2  PHE 117           HD2      PHE 117  10.298  -1.245  -4.961
  910    HE1  PHE 117           HE1      PHE 117   7.105  -4.484  -6.934
  911    HE2  PHE 117           HE2      PHE 117   8.361  -1.995  -3.657
  912    HZ   PHE 117           HZ       PHE 117   6.771  -3.661  -4.608
  913    H    ASP 118           H        ASP 118  12.220   1.111  -8.303
  914    HA   ASP 118           HA       ASP 118  13.847   0.782 -10.732
  915   1HB   ASP 118          HB2       ASP 118  13.276   3.001  -9.259
  916   2HB   ASP 118          HB3       ASP 118  14.850   2.602  -8.602
  917    H    LYS 119           H        LYS 119  16.424   1.083 -10.151
  918    HA   LYS 119           HA       LYS 119  17.294  -1.402  -8.930
  919   1HB   LYS 119          HB2       LYS 119  19.573  -0.463  -9.249
  920   2HB   LYS 119          HB3       LYS 119  18.615  -0.493 -10.715
  921   1HG   LYS 119          HG2       LYS 119  18.499   1.760 -10.923
  922   2HG   LYS 119          HG3       LYS 119  18.460   2.077  -9.191
  923   1HD   LYS 119          HD2       LYS 119  20.986   1.253 -10.701
  924   2HD   LYS 119          HD3       LYS 119  20.477   2.919 -10.380
  925   1HE   LYS 119          HE2       LYS 119  20.335   2.269  -7.892
  926   2HE   LYS 119          HE3       LYS 119  21.200   0.790  -8.317
  927   1HZ   LYS 119          HZ1       LYS 119  22.993   2.262  -9.191
  928   2HZ   LYS 119          HZ2       LYS 119  22.131   3.577  -8.686
  929   3HZ   LYS 119          HZ3       LYS 119  22.722   2.503  -7.596
  930    H    THR 120           H        THR 120  16.080   1.333  -7.452
  931    HA   THR 120           HA       THR 120  17.679   1.515  -5.054
  932    HB   THR 120           HB       THR 120  15.467   2.558  -4.310
  933    HG1  THR 120           HG1      THR 120  14.011   2.942  -6.149
  934   1HG2  THR 120          HG21      THR 120  17.177   4.011  -5.292
  935   2HG2  THR 120          HG22      THR 120  16.419   3.768  -6.897
  936   3HG2  THR 120          HG23      THR 120  15.497   4.527  -5.548
  937    H    GLY 121           H        GLY 121  14.963  -0.448  -6.285
  938   1HA   GLY 121          HA2       GLY 121  13.932  -2.322  -5.353
  939   2HA   GLY 121          HA3       GLY 121  14.789  -2.083  -3.811
  940    H    GLN 122           H        GLN 122  13.177   0.547  -5.545
  941    HA   GLN 122           HA       GLN 122  11.063   0.732  -3.447
  942   1HB   GLN 122          HB2       GLN 122  12.566   3.009  -4.795
  943   2HB   GLN 122          HB3       GLN 122  11.330   3.167  -3.581
  944   1HG   GLN 122          HG2       GLN 122  14.021   1.762  -3.110
  945   2HG   GLN 122          HG3       GLN 122  13.714   3.466  -2.761
  946   1HE2  GLN 122          HE22      GLN 122  11.171   3.327  -1.676
  947   2HE2  GLN 122          HE21      GLN 122  11.264   2.483  -0.142
  948    H    LEU 123           H        LEU 123   9.057   1.193  -4.201
  949    HA   LEU 123           HA       LEU 123   8.490   0.360  -6.807
  950   1HB   LEU 123          HB2       LEU 123   7.026   0.153  -4.741
  951   2HB   LEU 123          HB3       LEU 123   6.662   1.873  -4.893
  952    HG   LEU 123           HG       LEU 123   5.784   1.389  -7.214
  953   1HD1  LEU 123          HD11      LEU 123   5.206  -0.910  -7.824
  954   2HD1  LEU 123          HD12      LEU 123   6.934  -0.922  -7.464
  955   3HD1  LEU 123          HD13      LEU 123   5.793  -1.514  -6.258
  956   1HD2  LEU 123          HD21      LEU 123   3.678   0.126  -6.273
  957   2HD2  LEU 123          HD22      LEU 123   4.501   0.379  -4.712
  958   3HD2  LEU 123          HD23      LEU 123   4.086   1.747  -5.729
  959    H    ARG 124           H        ARG 124   8.184   1.376  -8.690
  960    HA   ARG 124           HA       ARG 124   8.309   4.359  -8.810
  961   1HB   ARG 124          HB2       ARG 124   9.073   2.146 -10.776
  962   2HB   ARG 124          HB3       ARG 124   9.058   3.851 -11.208
  963   1HG   ARG 124          HG2       ARG 124  10.692   2.795  -8.871
  964   2HG   ARG 124          HG3       ARG 124  11.300   2.796 -10.517
  965   1HD   ARG 124          HD2       ARG 124  10.186   5.418  -9.548
  966   2HD   ARG 124          HD3       ARG 124  11.640   4.839  -8.743
  967    HE   ARG 124           HE       ARG 124  12.848   4.803 -10.773
  968   1HH1  ARG 124          HH21      ARG 124   9.589   6.218 -11.424
  969   2HH1  ARG 124          HH22      ARG 124  10.153   6.814 -12.977
  970   1HH2  ARG 124          HH11      ARG 124  13.461   5.844 -12.635
  971   2HH2  ARG 124          HH12      ARG 124  12.207   6.607 -13.630
  972    H    HIS 125           H        HIS 125   6.493   1.461 -10.030
  973    HA   HIS 125           HA       HIS 125   4.177   3.149 -10.551
  974   1HB   HIS 125          HB2       HIS 125   5.671   3.329 -12.618
  975   2HB   HIS 125          HB3       HIS 125   5.494   1.588 -12.818
  976    HD1  HIS 125           HD1      HIS 125   3.364   4.828 -12.923
  977    HD2  HIS 125           HD2      HIS 125   3.239   0.737 -13.880
  978    HE1  HIS 125           HE1      HIS 125   1.238   4.486 -14.277
  979    H    PHE 126           H        PHE 126   2.259   1.706 -10.867
  980    HA   PHE 126           HA       PHE 126   2.708  -1.122 -11.035
  981   1HB   PHE 126          HB2       PHE 126   2.163  -1.861  -9.011
  982   2HB   PHE 126          HB3       PHE 126   2.612  -0.284  -8.414
  983    HD1  PHE 126           HD1      PHE 126   0.854   1.260  -7.570
  984    HD2  PHE 126           HD2      PHE 126  -0.171  -2.567  -9.279
  985    HE1  PHE 126           HE1      PHE 126  -1.465   1.488  -6.713
  986    HE2  PHE 126           HE2      PHE 126  -2.498  -2.317  -8.472
  987    HZ   PHE 126           HZ       PHE 126  -3.150  -0.286  -7.169
  988    H    GLN 127           H        GLN 127   0.727  -2.237 -11.606
  989    HA   GLN 127           HA       GLN 127  -1.771  -0.766 -11.798
  990   1HB   GLN 127          HB2       GLN 127  -0.350  -1.773 -14.302
  991   2HB   GLN 127          HB3       GLN 127  -2.088  -1.481 -14.228
  992   1HG   GLN 127          HG2       GLN 127  -1.613   0.913 -13.541
  993   2HG   GLN 127          HG3       GLN 127   0.090   0.585 -13.872
  994   1HE2  GLN 127          HE22      GLN 127   0.633   1.580 -15.727
  995   2HE2  GLN 127          HE21      GLN 127  -0.314   1.550 -17.216
  996    H    ALA 128           H        ALA 128  -3.441  -2.290 -12.832
  997    HA   ALA 128           HA       ALA 128  -2.841  -5.122 -12.782
  998   1HB   ALA 128          HB1       ALA 128  -3.523  -4.637 -10.430
  999   2HB   ALA 128          HB2       ALA 128  -5.012  -3.881 -11.034
 1000   3HB   ALA 128          HB3       ALA 128  -4.738  -5.624 -11.293
 1001    H    GLY 129           H        GLY 129  -4.127  -6.157 -14.274
 1002   1HA   GLY 129          HA2       GLY 129  -5.520  -6.393 -16.095
 1003   2HA   GLY 129          HA3       GLY 129  -6.453  -4.980 -15.583
 1004    H    GLY 130           H        GLY 130  -6.056  -5.164 -18.227
 1005   1HA   GLY 130          HA2       GLY 130  -5.370  -2.875 -19.280
 1006   2HA   GLY 130          HA3       GLY 130  -3.733  -3.504 -19.038
 1007    H    SER 131           H        SER 131  -5.138  -2.933 -21.590
 1008    HA   SER 131           HA       SER 131  -6.196  -5.145 -22.867
 1009   1HB   SER 131          HB2       SER 131  -4.515  -2.952 -24.140
 1010   2HB   SER 131          HB3       SER 131  -5.798  -3.908 -24.905
 1011    HG   SER 131           HG       SER 131  -6.526  -1.837 -24.227
 1012    H    GLY 132           H        GLY 132  -5.248  -7.128 -22.891
 1013   1HA   GLY 132          HA2       GLY 132  -3.735  -8.811 -23.115
 1014   2HA   GLY 132          HA3       GLY 132  -2.992  -7.856 -24.406
 1015    H    MET 133           H        MET 133  -3.153  -6.600 -21.107
 1016    HA   MET 133           HA       MET 133  -1.565  -5.677 -19.834
 1017   1HB   MET 133          HB2       MET 133  -1.448  -8.125 -19.227
 1018   2HB   MET 133          HB3       MET 133  -0.062  -8.273 -20.316
 1019   1HG   MET 133          HG2       MET 133   0.998  -6.396 -18.790
 1020   2HG   MET 133          HG3       MET 133  -0.337  -6.746 -17.741
 1021   1HE   MET 133          HE1       MET 133   2.020  -9.046 -19.998
 1022   2HE   MET 133          HE2       MET 133   2.996  -7.756 -19.277
 1023   3HE   MET 133          HE3       MET 133   3.250  -9.450 -18.781
 1024    H    LYS 134           H        LYS 134  -1.253  -5.253 -22.929
 1025    HA   LYS 134           HA       LYS 134   1.498  -5.447 -23.552
 1026   1HB   LYS 134          HB2       LYS 134  -0.359  -5.312 -25.194
 1027   2HB   LYS 134          HB3       LYS 134  -0.605  -3.617 -24.779
 1028   1HG   LYS 134          HG2       LYS 134   0.632  -3.874 -26.872
 1029   2HG   LYS 134          HG3       LYS 134   1.609  -3.035 -25.670
 1030   1HD   LYS 134          HD2       LYS 134   2.924  -5.073 -25.248
 1031   2HD   LYS 134          HD3       LYS 134   1.856  -6.009 -26.323
 1032   1HE   LYS 134          HE2       LYS 134   2.531  -4.574 -28.229
 1033   2HE   LYS 134          HE3       LYS 134   3.572  -3.625 -27.159
 1034   1HZ   LYS 134          HZ1       LYS 134   4.806  -5.302 -28.391
 1035   2HZ   LYS 134          HZ2       LYS 134   4.926  -5.584 -26.787
 1036   3HZ   LYS 134          HZ3       LYS 134   3.938  -6.510 -27.726
 1037    H    MET 135           H        MET 135  -0.279  -2.824 -22.024
 1038    HA   MET 135           HA       MET 135   1.701  -0.789 -22.196
 1039   1HB   MET 135          HB2       MET 135   0.487  -0.019 -19.989
 1040   2HB   MET 135          HB3       MET 135  -0.342   0.043 -21.530
 1041   1HG   MET 135          HG2       MET 135  -1.734  -0.781 -19.631
 1042   2HG   MET 135          HG3       MET 135  -1.707  -1.803 -21.052
 1043   1HE   MET 135          HE1       MET 135  -0.727  -1.563 -17.193
 1044   2HE   MET 135          HE2       MET 135   0.452  -2.886 -17.086
 1045   3HE   MET 135          HE3       MET 135   0.828  -1.443 -18.048
 1046    H    LEU 136           H        LEU 136   1.811  -3.710 -20.223
 1047    HA   LEU 136           HA       LEU 136   3.374  -2.516 -18.138
 1048   1HB   LEU 136          HB2       LEU 136   2.231  -4.684 -17.840
 1049   2HB   LEU 136          HB3       LEU 136   3.281  -5.417 -19.063
 1050    HG   LEU 136           HG       LEU 136   5.269  -4.998 -17.628
 1051   1HD1  LEU 136          HD11      LEU 136   3.236  -3.829 -15.674
 1052   2HD1  LEU 136          HD12      LEU 136   4.902  -4.282 -15.240
 1053   3HD1  LEU 136          HD13      LEU 136   4.625  -2.993 -16.399
 1054   1HD2  LEU 136          HD21      LEU 136   2.973  -6.462 -16.302
 1055   2HD2  LEU 136          HD22      LEU 136   4.192  -7.123 -17.400
 1056   3HD2  LEU 136          HD23      LEU 136   4.668  -6.582 -15.790
 1057    H    GLU 137           H        GLU 137   4.177  -4.091 -21.242
 1058    HA   GLU 137           HA       GLU 137   6.962  -4.111 -21.124
 1059   1HB   GLU 137          HB2       GLU 137   5.301  -4.851 -23.007
 1060   2HB   GLU 137          HB3       GLU 137   5.374  -3.164 -23.550
 1061   1HG   GLU 137          HG2       GLU 137   7.891  -3.418 -23.696
 1062   2HG   GLU 137          HG3       GLU 137   7.691  -5.138 -23.333
 1063    H    LYS 138           H        LYS 138   4.733  -1.360 -21.812
 1064    HA   LYS 138           HA       LYS 138   6.945   0.459 -22.357
 1065   1HB   LYS 138          HB2       LYS 138   3.960   0.813 -21.987
 1066   2HB   LYS 138          HB3       LYS 138   5.057   2.209 -22.054
 1067   1HG   LYS 138          HG2       LYS 138   5.926   1.570 -24.193
 1068   2HG   LYS 138          HG3       LYS 138   5.091  -0.003 -24.148
 1069   1HD   LYS 138          HD2       LYS 138   3.904   1.430 -25.650
 1070   2HD   LYS 138          HD3       LYS 138   2.901   1.169 -24.214
 1071   1HE   LYS 138          HE2       LYS 138   3.573   3.398 -23.337
 1072   2HE   LYS 138          HE3       LYS 138   4.644   3.630 -24.724
 1073   1HZ   LYS 138          HZ1       LYS 138   2.694   3.604 -26.161
 1074   2HZ   LYS 138          HZ2       LYS 138   1.694   3.380 -24.886
 1075   3HZ   LYS 138          HZ3       LYS 138   2.539   4.765 -25.032
 1076    H    ARG 139           H        ARG 139   4.938  -0.231 -19.423
 1077    HA   ARG 139           HA       ARG 139   6.095   2.029 -18.013
 1078   1HB   ARG 139          HB2       ARG 139   4.897  -0.538 -16.846
 1079   2HB   ARG 139          HB3       ARG 139   5.244   0.941 -15.952
 1080   1HG   ARG 139          HG2       ARG 139   3.149   0.578 -18.120
 1081   2HG   ARG 139          HG3       ARG 139   2.883   0.786 -16.398
 1082   1HD   ARG 139          HD2       ARG 139   3.945   3.066 -16.549
 1083   2HD   ARG 139          HD3       ARG 139   4.084   2.873 -18.298
 1084    HE   ARG 139           HE       ARG 139   1.755   3.561 -16.749
 1085   1HH1  ARG 139          HH21      ARG 139   2.710   2.036 -19.816
 1086   2HH1  ARG 139          HH22      ARG 139   1.298   2.552 -20.668
 1087   1HH2  ARG 139          HH11      ARG 139  -0.147   4.196 -17.876
 1088   2HH2  ARG 139          HH12      ARG 139  -0.393   3.733 -19.511
 1089    H    VAL 140           H        VAL 140   7.013  -1.399 -18.265
 1090    HA   VAL 140           HA       VAL 140   9.167  -1.340 -16.364
 1091    HB   VAL 140           HB       VAL 140   8.637  -2.928 -18.918
 1092   1HG1  VAL 140          HG11      VAL 140  10.733  -3.499 -16.797
 1093   2HG1  VAL 140          HG12      VAL 140  10.255  -4.578 -18.134
 1094   3HG1  VAL 140          HG13      VAL 140  11.038  -3.038 -18.489
 1095   1HG2  VAL 140          HG21      VAL 140   7.043  -3.269 -16.906
 1096   2HG2  VAL 140          HG22      VAL 140   7.894  -4.719 -17.442
 1097   3HG2  VAL 140          HG23      VAL 140   8.439  -3.836 -15.993
 1098    H    ASN 141           H        ASN 141   8.932  -0.811 -19.958
 1099    HA   ASN 141           HA       ASN 141  11.683  -0.337 -20.090
 1100   1HB   ASN 141          HB2       ASN 141   9.422   0.204 -22.021
 1101   2HB   ASN 141          HB3       ASN 141  10.953   1.012 -22.311
 1102   1HD2  ASN 141          HD22      ASN 141   9.427  -2.178 -22.127
 1103   2HD2  ASN 141          HD21      ASN 141  10.742  -3.018 -22.955
 1104    H    ARG 142           H        ARG 142   9.037   1.922 -19.381
 1105    HA   ARG 142           HA       ARG 142  10.605   4.297 -19.707
 1106   1HB   ARG 142          HB2       ARG 142   8.145   3.726 -18.033
 1107   2HB   ARG 142          HB3       ARG 142   8.867   5.312 -18.209
 1108   1HG   ARG 142          HG2       ARG 142   6.889   4.139 -19.792
 1109   2HG   ARG 142          HG3       ARG 142   7.654   5.709 -19.983
 1110   1HD   ARG 142          HD2       ARG 142   8.618   3.190 -21.367
 1111   2HD   ARG 142          HD3       ARG 142   7.465   4.306 -22.055
 1112    HE   ARG 142           HE       ARG 142   9.515   5.977 -21.397
 1113   1HH1  ARG 142          HH21      ARG 142   9.321   3.038 -23.371
 1114   2HH1  ARG 142          HH22      ARG 142  10.702   3.416 -24.332
 1115   1HH2  ARG 142          HH11      ARG 142  11.347   6.499 -22.691
 1116   2HH2  ARG 142          HH12      ARG 142  11.865   5.439 -23.944
 1117    H    VAL 143           H        VAL 143  10.032   2.148 -16.855
 1118    HA   VAL 143           HA       VAL 143  11.681   3.735 -15.130
 1119    HB   VAL 143           HB       VAL 143  10.950   0.785 -15.091
 1120   1HG1  VAL 143          HG11      VAL 143  12.247   2.451 -12.892
 1121   2HG1  VAL 143          HG12      VAL 143  11.597   0.803 -12.693
 1122   3HG1  VAL 143          HG13      VAL 143  12.978   1.084 -13.758
 1123   1HG2  VAL 143          HG21      VAL 143   9.370   1.501 -13.296
 1124   2HG2  VAL 143          HG22      VAL 143   9.861   3.190 -13.551
 1125   3HG2  VAL 143          HG23      VAL 143   9.012   2.296 -14.826
 1126    H    LEU 144           H        LEU 144  12.479   1.246 -17.611
 1127    HA   LEU 144           HA       LEU 144  15.253   1.002 -16.742
 1128   1HB   LEU 144          HB2       LEU 144  14.080   0.509 -19.521
 1129   2HB   LEU 144          HB3       LEU 144  15.686   0.067 -18.974
 1130    HG   LEU 144           HG       LEU 144  13.056  -1.147 -18.092
 1131   1HD1  LEU 144          HD11      LEU 144  13.993  -1.871 -20.244
 1132   2HD1  LEU 144          HD12      LEU 144  15.501  -2.339 -19.430
 1133   3HD1  LEU 144          HD13      LEU 144  13.978  -3.177 -19.046
 1134   1HD2  LEU 144          HD21      LEU 144  14.439  -2.647 -16.643
 1135   2HD2  LEU 144          HD22      LEU 144  15.820  -1.558 -16.904
 1136   3HD2  LEU 144          HD23      LEU 144  14.342  -0.978 -16.090
 1137    H    ALA 145           H        ALA 145  13.505   2.986 -19.041
 1138    HA   ALA 145           HA       ALA 145  15.729   4.265 -20.265
 1139   1HB   ALA 145          HB1       ALA 145  12.839   5.217 -19.942
 1140   2HB   ALA 145          HB2       ALA 145  14.026   5.869 -21.090
 1141   3HB   ALA 145          HB3       ALA 145  13.456   4.194 -21.250
 1142    H    GLU 146           H        GLU 146  13.673   5.152 -17.481
 1143    HA   GLU 146           HA       GLU 146  14.920   7.722 -17.052
 1144   1HB   GLU 146          HB2       GLU 146  12.996   5.954 -15.510
 1145   2HB   GLU 146          HB3       GLU 146  13.548   7.530 -14.897
 1146   1HG   GLU 146          HG2       GLU 146  12.616   8.665 -16.850
 1147   2HG   GLU 146          HG3       GLU 146  12.078   7.125 -17.524
 1148    H    THR 147           H        THR 147  15.076   4.545 -15.318
 1149    HA   THR 147           HA       THR 147  16.265   3.802 -13.587
 1150    HB   THR 147           HB       THR 147  18.541   5.659 -14.351
 1151    HG1  THR 147           HG1      THR 147  17.547   4.511 -16.160
 1152   1HG2  THR 147          HG21      THR 147  18.410   2.870 -13.128
 1153   2HG2  THR 147          HG22      THR 147  19.884   3.521 -13.876
 1154   3HG2  THR 147          HG23      THR 147  19.208   4.318 -12.468
 1155    H    GLU 148           H        GLU 148  17.822   4.908 -11.582
 1156    HA   GLU 148           HA       GLU 148  16.027   6.284  -9.981
 1157   1HB   GLU 148          HB2       GLU 148  17.676   6.455  -8.357
 1158   2HB   GLU 148          HB3       GLU 148  17.935   4.919  -9.192
 1159   1HG   GLU 148          HG2       GLU 148  19.677   6.021 -10.582
 1160   2HG   GLU 148          HG3       GLU 148  19.438   7.510  -9.653
  Start of MODEL    3
    1   1H    MET   1           H1       MET   1   0.837   1.672  -0.428
    2   2H    MET   1           H2       MET   1  -0.594   1.522  -1.222
    3   3H    MET   1           H3       MET   1   0.278   0.188  -0.824
    4    HA   MET   1           HA       MET   1   2.097   0.956  -2.268
    5   1HB   MET   1          HB2       MET   1  -0.605   0.352  -3.488
    6   2HB   MET   1          HB3       MET   1   0.816   0.624  -4.490
    7   1HG   MET   1          HG2       MET   1   0.903  -1.445  -2.266
    8   2HG   MET   1          HG3       MET   1   0.164  -1.779  -3.824
    9   1HE   MET   1          HE1       MET   1   3.364  -2.045  -1.829
   10   2HE   MET   1          HE2       MET   1   4.669  -1.773  -2.995
   11   3HE   MET   1          HE3       MET   1   3.728  -0.396  -2.392
   12    H    LYS   2           H        LYS   2   3.020   2.929  -2.402
   13    HA   LYS   2           HA       LYS   2   1.612   5.054  -3.948
   14   1HB   LYS   2          HB2       LYS   2   3.440   5.380  -1.509
   15   2HB   LYS   2          HB3       LYS   2   2.901   6.700  -2.561
   16   1HG   LYS   2          HG2       LYS   2   0.534   6.156  -1.992
   17   2HG   LYS   2          HG3       LYS   2   1.124   4.917  -0.856
   18   1HD   LYS   2          HD2       LYS   2   2.310   6.664   0.451
   19   2HD   LYS   2          HD3       LYS   2   1.828   7.886  -0.728
   20   1HE   LYS   2          HE2       LYS   2   0.385   8.138   1.141
   21   2HE   LYS   2          HE3       LYS   2  -0.573   7.468  -0.179
   22   1HZ   LYS   2          HZ1       LYS   2   0.529   5.909   2.094
   23   2HZ   LYS   2          HZ2       LYS   2  -1.019   6.382   1.939
   24   3HZ   LYS   2          HZ3       LYS   2  -0.408   5.296   0.895
   25    H    LEU   3           H        LEU   3   3.041   6.099  -5.412
   26    HA   LEU   3           HA       LEU   3   5.217   4.388  -6.317
   27   1HB   LEU   3          HB2       LEU   3   4.261   7.028  -7.487
   28   2HB   LEU   3          HB3       LEU   3   5.331   5.846  -8.244
   29    HG   LEU   3           HG       LEU   3   2.368   5.537  -7.657
   30   1HD1  LEU   3          HD11      LEU   3   2.953   6.827  -9.660
   31   2HD1  LEU   3          HD12      LEU   3   3.983   5.504 -10.243
   32   3HD1  LEU   3          HD13      LEU   3   2.222   5.279 -10.107
   33   1HD2  LEU   3          HD21      LEU   3   4.346   3.419  -8.579
   34   2HD2  LEU   3          HD22      LEU   3   3.275   3.369  -7.167
   35   3HD2  LEU   3          HD23      LEU   3   2.578   3.286  -8.780
   36    H    ARG   4           H        ARG   4   6.178   4.858  -4.140
   37    HA   ARG   4           HA       ARG   4   8.532   6.458  -4.186
   38   1HB   ARG   4          HB2       ARG   4   7.004   8.317  -3.832
   39   2HB   ARG   4          HB3       ARG   4   6.108   7.410  -2.607
   40   1HG   ARG   4          HG2       ARG   4   7.501   9.044  -1.543
   41   2HG   ARG   4          HG3       ARG   4   8.033   7.406  -1.156
   42   1HD   ARG   4          HD2       ARG   4   9.875   7.652  -2.887
   43   2HD   ARG   4          HD3       ARG   4   9.333   9.305  -3.162
   44    HE   ARG   4           HE       ARG   4  10.297   9.986  -1.194
   45   1HH1  ARG   4          HH21      ARG   4  10.338   6.412  -1.239
   46   2HH1  ARG   4          HH22      ARG   4  11.505   6.293   0.031
   47   1HH2  ARG   4          HH11      ARG   4  11.803   9.793   0.521
   48   2HH2  ARG   4          HH12      ARG   4  12.325   8.247   1.069
   49    H    GLN   5           H        GLN   5   6.131   4.364  -2.470
   50    HA   GLN   5           HA       GLN   5   7.637   4.262  -0.038
   51   1HB   GLN   5          HB2       GLN   5   5.915   2.882   0.743
   52   2HB   GLN   5          HB3       GLN   5   5.112   3.917  -0.400
   53   1HG   GLN   5          HG2       GLN   5   4.943   2.175  -2.026
   54   2HG   GLN   5          HG3       GLN   5   6.161   1.194  -1.228
   55   1HE2  GLN   5          HE22      GLN   5   5.609  -0.315   0.268
   56   2HE2  GLN   5          HE21      GLN   5   3.969  -0.536   0.858
   57    HA   PRO   6           HA       PRO   6  10.289   0.740  -1.066
   58   1HB   PRO   6          HB2       PRO   6  10.493  -0.717   1.210
   59   2HB   PRO   6          HB3       PRO   6  11.194   0.925   1.071
   60   1HG   PRO   6          HG2       PRO   6   8.591   0.104   2.373
   61   2HG   PRO   6          HG3       PRO   6   9.821   1.260   2.970
   62   1HD   PRO   6          HD2       PRO   6   7.492   1.915   1.584
   63   2HD   PRO   6          HD3       PRO   6   8.938   2.980   1.659
   64    H    MET   7           H        MET   7  10.088  -1.370  -1.799
   65    HA   MET   7           HA       MET   7   7.617  -2.611  -2.328
   66   1HB   MET   7          HB2       MET   7   9.808  -3.006  -3.427
   67   2HB   MET   7          HB3       MET   7  10.396  -3.800  -1.967
   68   1HG   MET   7          HG2       MET   7   8.467  -5.466  -2.247
   69   2HG   MET   7          HG3       MET   7   8.187  -4.734  -3.828
   70   1HE   MET   7          HE1       MET   7  11.650  -4.264  -4.319
   71   2HE   MET   7          HE2       MET   7  11.667  -5.555  -5.545
   72   3HE   MET   7          HE3       MET   7  10.304  -4.401  -5.484
   73    HA   PRO   8           HA       PRO   8   6.795  -4.504   1.761
   74   1HB   PRO   8          HB2       PRO   8   5.033  -6.496   1.097
   75   2HB   PRO   8          HB3       PRO   8   4.599  -4.764   1.014
   76   1HG   PRO   8          HG2       PRO   8   5.634  -6.524  -1.244
   77   2HG   PRO   8          HG3       PRO   8   4.137  -5.543  -1.217
   78   1HD   PRO   8          HD2       PRO   8   6.359  -4.523  -2.317
   79   2HD   PRO   8          HD3       PRO   8   5.343  -3.495  -1.269
   80    H    GLU   9           H        GLU   9   6.604  -6.985   2.564
   81    HA   GLU   9           HA       GLU   9   9.147  -8.347   2.077
   82   1HB   GLU   9          HB2       GLU   9   6.610  -9.031   3.654
   83   2HB   GLU   9          HB3       GLU   9   7.979 -10.138   3.481
   84   1HG   GLU   9          HG2       GLU   9   9.474  -8.544   4.547
   85   2HG   GLU   9          HG3       GLU   9   8.157  -7.370   4.712
   86    H    LEU  10           H        LEU  10   9.358 -10.073   0.635
   87    HA   LEU  10           HA       LEU  10   7.066 -10.474  -1.164
   88   1HB   LEU  10          HB2       LEU  10   9.951 -11.399  -1.437
   89   2HB   LEU  10          HB3       LEU  10   8.653 -11.648  -2.604
   90    HG   LEU  10           HG       LEU  10   9.877  -8.976  -1.823
   91   1HD1  LEU  10          HD11      LEU  10  11.193 -10.464  -3.352
   92   2HD1  LEU  10          HD12      LEU  10   9.831 -10.479  -4.481
   93   3HD1  LEU  10          HD13      LEU  10  10.675  -8.958  -4.128
   94   1HD2  LEU  10          HD21      LEU  10   8.385  -8.061  -3.652
   95   2HD2  LEU  10          HD22      LEU  10   7.581  -9.622  -3.733
   96   3HD2  LEU  10          HD23      LEU  10   7.474  -8.622  -2.257
   97    H    THR  11           H        THR  11   5.996 -11.496   0.751
   98    HA   THR  11           HA       THR  11   6.767 -14.095   1.673
   99    HB   THR  11           HB       THR  11   4.263 -14.018   2.391
  100    HG1  THR  11           HG1      THR  11   3.505 -11.800   2.364
  101   1HG2  THR  11          HG21      THR  11   4.704 -12.437   4.184
  102   2HG2  THR  11          HG22      THR  11   6.159 -13.408   3.906
  103   3HG2  THR  11          HG23      THR  11   6.088 -11.733   3.309
  104    H    GLY  12           H        GLY  12   5.710 -16.130   1.186
  105   1HA   GLY  12          HA2       GLY  12   4.179 -16.602  -1.211
  106   2HA   GLY  12          HA3       GLY  12   5.922 -16.843  -1.469
  107    H    GLU  13           H        GLU  13   3.285 -17.627   0.846
  108    HA   GLU  13           HA       GLU  13   4.837 -19.501   2.319
  109   1HB   GLU  13          HB2       GLU  13   1.839 -18.992   2.202
  110   2HB   GLU  13          HB3       GLU  13   2.622 -20.064   3.369
  111   1HG   GLU  13          HG2       GLU  13   4.070 -18.110   4.086
  112   2HG   GLU  13          HG3       GLU  13   3.057 -17.063   3.092
  113    H    LYS  14           H        LYS  14   3.386 -20.083  -0.780
  114    HA   LYS  14           HA       LYS  14   2.953 -22.946  -0.142
  115   1HB   LYS  14          HB2       LYS  14   1.374 -21.563  -1.627
  116   2HB   LYS  14          HB3       LYS  14   2.590 -21.748  -2.876
  117   1HG   LYS  14          HG2       LYS  14   2.131 -24.367  -1.734
  118   2HG   LYS  14          HG3       LYS  14   0.569 -23.599  -1.857
  119   1HD   LYS  14          HD2       LYS  14   0.928 -24.886  -3.854
  120   2HD   LYS  14          HD3       LYS  14   0.934 -23.182  -4.272
  121   1HE   LYS  14          HE2       LYS  14   2.719 -24.243  -5.517
  122   2HE   LYS  14          HE3       LYS  14   3.454 -23.227  -4.272
  123   1HZ   LYS  14          HZ1       LYS  14   3.069 -26.149  -3.933
  124   2HZ   LYS  14          HZ2       LYS  14   4.447 -25.478  -4.498
  125   3HZ   LYS  14          HZ3       LYS  14   3.958 -25.130  -2.986
  126    H    ALA  15           H        ALA  15   5.487 -20.924  -1.232
  127    HA   ALA  15           HA       ALA  15   7.651 -21.764  -0.855
  128   1HB   ALA  15          HB1       ALA  15   8.541 -23.813  -1.779
  129   2HB   ALA  15          HB2       ALA  15   7.072 -24.203  -0.891
  130   3HB   ALA  15          HB3       ALA  15   7.049 -24.114  -2.681
  131    H    TRP  16           H        TRP  16   9.482 -22.098  -2.527
  132    HA   TRP  16           HA       TRP  16   9.416 -20.148  -4.619
  133   1HB   TRP  16          HB2       TRP  16  11.278 -22.523  -4.116
  134   2HB   TRP  16          HB3       TRP  16  11.608 -21.163  -5.186
  135    HD1  TRP  16           HD1      TRP  16  12.254 -22.244  -1.731
  136    HE1  TRP  16           HE1      TRP  16  13.023 -20.306  -0.257
  137    HE3  TRP  16           HE3      TRP  16  11.137 -18.398  -4.894
  138    HZ2  TRP  16           HZ2      TRP  16  13.054 -17.385  -0.401
  139    HZ3  TRP  16           HZ3      TRP  16  11.500 -16.040  -4.187
  140    HH2  TRP  16           HH2      TRP  16  12.445 -15.541  -1.960
  141    H    LEU  17           H        LEU  17   9.673 -20.569  -6.929
  142    HA   LEU  17           HA       LEU  17   9.075 -23.273  -7.912
  143   1HB   LEU  17          HB2       LEU  17   6.861 -22.260  -7.778
  144   2HB   LEU  17          HB3       LEU  17   7.459 -20.779  -8.522
  145    HG   LEU  17           HG       LEU  17   8.026 -22.218 -10.604
  146   1HD1  LEU  17          HD11      LEU  17   6.715 -24.324 -10.819
  147   2HD1  LEU  17          HD12      LEU  17   7.897 -24.445  -9.511
  148   3HD1  LEU  17          HD13      LEU  17   6.184 -24.173  -9.128
  149   1HD2  LEU  17          HD21      LEU  17   6.143 -20.697 -10.614
  150   2HD2  LEU  17          HD22      LEU  17   5.606 -22.213 -11.342
  151   3HD2  LEU  17          HD23      LEU  17   5.154 -21.808  -9.662
  152    H    ASN  18           H        ASN  18  10.515 -23.658  -9.400
  153    HA   ASN  18           HA       ASN  18  11.954 -23.556 -10.966
  154   1HB   ASN  18          HB2       ASN  18   9.685 -22.952 -12.077
  155   2HB   ASN  18          HB3       ASN  18  10.409 -21.361 -12.328
  156   1HD2  ASN  18          HD22      ASN  18  10.209 -21.724 -14.682
  157   2HD2  ASN  18          HD21      ASN  18  11.247 -22.884 -15.476
  158    H    GLY  19           H        GLY  19  12.244 -21.243  -8.911
  159   1HA   GLY  19          HA2       GLY  19  14.899 -20.795  -9.073
  160   2HA   GLY  19          HA3       GLY  19  14.247 -19.511 -10.108
  161    H    GLU  20           H        GLU  20  15.544 -19.227  -7.522
  162    HA   GLU  20           HA       GLU  20  13.404 -17.841  -5.988
  163   1HB   GLU  20          HB2       GLU  20  14.425 -18.660  -3.959
  164   2HB   GLU  20          HB3       GLU  20  13.792 -19.964  -4.972
  165   1HG   GLU  20          HG2       GLU  20  16.741 -19.266  -4.646
  166   2HG   GLU  20          HG3       GLU  20  15.882 -20.513  -3.770
  167    H    VAL  21           H        VAL  21  13.863 -15.941  -5.060
  168    HA   VAL  21           HA       VAL  21  16.370 -14.821  -4.397
  169    HB   VAL  21           HB       VAL  21  15.856 -12.804  -6.093
  170   1HG1  VAL  21          HG11      VAL  21  18.016 -14.020  -5.825
  171   2HG1  VAL  21          HG12      VAL  21  17.499 -15.116  -7.121
  172   3HG1  VAL  21          HG13      VAL  21  17.685 -13.392  -7.446
  173   1HG2  VAL  21          HG21      VAL  21  15.226 -13.486  -8.326
  174   2HG2  VAL  21          HG22      VAL  21  15.098 -15.172  -7.807
  175   3HG2  VAL  21          HG23      VAL  21  13.944 -13.963  -7.199
  176    H    THR  22           H        THR  22  15.889 -12.367  -3.819
  177    HA   THR  22           HA       THR  22  13.047 -11.835  -3.310
  178    HB   THR  22           HB       THR  22  13.400 -11.259  -1.020
  179    HG1  THR  22           HG1      THR  22  15.191 -10.921  -0.176
  180   1HG2  THR  22          HG21      THR  22  12.912 -13.595  -1.249
  181   2HG2  THR  22          HG22      THR  22  14.653 -13.989  -1.408
  182   3HG2  THR  22          HG23      THR  22  14.014 -13.327   0.112
  183    H    ARG  23           H        ARG  23  12.920  -9.568  -2.320
  184    HA   ARG  23           HA       ARG  23  13.966  -7.438  -3.789
  185   1HB   ARG  23          HB2       ARG  23  12.064  -7.273  -2.363
  186   2HB   ARG  23          HB3       ARG  23  12.947  -7.857  -0.954
  187   1HG   ARG  23          HG2       ARG  23  14.207  -5.657  -0.932
  188   2HG   ARG  23          HG3       ARG  23  13.140  -5.122  -2.243
  189   1HD   ARG  23          HD2       ARG  23  12.222  -4.299  -0.169
  190   2HD   ARG  23          HD3       ARG  23  11.154  -5.588  -0.757
  191    HE   ARG  23           HE       ARG  23  13.015  -6.807   0.974
  192   1HH1  ARG  23          HH11      ARG  23  10.308  -4.461   1.362
  193   2HH1  ARG  23          HH12      ARG  23  10.178  -4.796   3.048
  194   1HH2  ARG  23          HH21      ARG  23  12.721  -7.284   3.001
  195   2HH2  ARG  23          HH22      ARG  23  11.532  -6.508   4.032
  196    H    GLU  24           H        GLU  24  15.320  -9.085  -0.879
  197    HA   GLU  24           HA       GLU  24  17.537  -7.224  -0.720
  198   1HB   GLU  24          HB2       GLU  24  17.221  -9.937   0.645
  199   2HB   GLU  24          HB3       GLU  24  18.346  -8.655   1.063
  200   1HG   GLU  24          HG2       GLU  24  16.656  -8.456   2.657
  201   2HG   GLU  24          HG3       GLU  24  16.342  -7.156   1.500
  202    H    GLN  25           H        GLN  25  17.010 -10.287  -2.467
  203    HA   GLN  25           HA       GLN  25  19.833 -10.976  -2.408
  204   1HB   GLN  25          HB2       GLN  25  17.702 -12.147  -4.203
  205   2HB   GLN  25          HB3       GLN  25  19.346 -12.729  -3.993
  206   1HG   GLN  25          HG2       GLN  25  17.024 -12.999  -2.171
  207   2HG   GLN  25          HG3       GLN  25  18.211 -14.188  -2.659
  208   1HE2  GLN  25          HE22      GLN  25  17.159 -12.105  -0.237
  209   2HE2  GLN  25          HE21      GLN  25  18.534 -12.223   0.859
  210    H    LEU  26           H        LEU  26  17.646  -9.449  -4.779
  211    HA   LEU  26           HA       LEU  26  19.948  -9.249  -6.676
  212   1HB   LEU  26          HB2       LEU  26  18.255  -9.349  -8.477
  213   2HB   LEU  26          HB3       LEU  26  18.512 -10.801  -7.539
  214    HG   LEU  26           HG       LEU  26  16.421 -10.598  -6.418
  215   1HD1  LEU  26          HD11      LEU  26  16.049  -8.289  -6.050
  216   2HD1  LEU  26          HD12      LEU  26  15.916  -7.953  -7.793
  217   3HD1  LEU  26          HD13      LEU  26  14.698  -8.931  -6.961
  218   1HD2  LEU  26          HD21      LEU  26  16.504 -11.635  -8.650
  219   2HD2  LEU  26          HD22      LEU  26  14.918 -10.903  -8.339
  220   3HD2  LEU  26          HD23      LEU  26  16.100 -10.095  -9.396
  221    H    ILE  27           H        ILE  27  17.897  -7.138  -4.898
  222    HA   ILE  27           HA       ILE  27  18.018  -5.032  -6.942
  223    HB   ILE  27           HB       ILE  27  17.345  -4.876  -3.980
  224   1HG1  ILE  27          HG12      ILE  27  15.686  -5.109  -6.540
  225   2HG1  ILE  27          HG13      ILE  27  15.773  -6.278  -5.228
  226   1HG2  ILE  27          HG21      ILE  27  16.883  -2.795  -6.164
  227   2HG2  ILE  27          HG22      ILE  27  16.386  -2.687  -4.458
  228   3HG2  ILE  27          HG23      ILE  27  18.085  -2.663  -4.852
  229   1HD1  ILE  27          HD11      ILE  27  14.329  -3.663  -5.283
  230   2HD1  ILE  27          HD12      ILE  27  13.741  -5.287  -4.895
  231   3HD1  ILE  27          HD13      ILE  27  14.774  -4.433  -3.731
  232    H    GLY  28           H        GLY  28  19.438  -3.256  -6.957
  233   1HA   GLY  28          HA2       GLY  28  21.208  -2.433  -5.078
  234   2HA   GLY  28          HA3       GLY  28  22.125  -3.707  -5.904
  235    H    GLU  29           H        GLU  29  21.124  -3.279  -8.580
  236    HA   GLU  29           HA       GLU  29  21.917  -0.475  -9.186
  237   1HB   GLU  29          HB2       GLU  29  23.931  -1.977  -9.018
  238   2HB   GLU  29          HB3       GLU  29  23.290  -2.896 -10.393
  239   1HG   GLU  29          HG2       GLU  29  23.481  -0.962 -11.849
  240   2HG   GLU  29          HG3       GLU  29  23.751   0.123 -10.482
  241    H    LYS  30           H        LYS  30  20.181  -3.366 -10.183
  242    HA   LYS  30           HA       LYS  30  19.369  -1.996 -12.715
  243   1HB   LYS  30          HB2       LYS  30  18.981  -4.895 -11.874
  244   2HB   LYS  30          HB3       LYS  30  18.462  -4.189 -13.394
  245   1HG   LYS  30          HG2       LYS  30  21.361  -4.557 -12.503
  246   2HG   LYS  30          HG3       LYS  30  20.461  -5.580 -13.608
  247   1HD   LYS  30          HD2       LYS  30  21.702  -4.346 -15.067
  248   2HD   LYS  30          HD3       LYS  30  20.184  -3.447 -15.087
  249   1HE   LYS  30          HE2       LYS  30  21.134  -1.741 -13.598
  250   2HE   LYS  30          HE3       LYS  30  22.580  -2.724 -13.341
  251   1HZ   LYS  30          HZ1       LYS  30  23.133  -2.416 -15.676
  252   2HZ   LYS  30          HZ2       LYS  30  21.787  -1.519 -15.945
  253   3HZ   LYS  30          HZ3       LYS  30  22.962  -0.967 -14.951
  254    HA   PRO  31           HA       PRO  31  15.420  -1.396 -10.617
  255   1HB   PRO  31          HB2       PRO  31  13.755  -1.134 -12.798
  256   2HB   PRO  31          HB3       PRO  31  14.850   0.161 -12.226
  257   1HG   PRO  31          HG2       PRO  31  15.305  -1.822 -14.463
  258   2HG   PRO  31          HG3       PRO  31  15.596  -0.050 -14.467
  259   1HD   PRO  31          HD2       PRO  31  17.581  -1.885 -14.040
  260   2HD   PRO  31          HD3       PRO  31  17.578  -0.300 -13.218
  261    H    THR  32           H        THR  32  13.242  -2.556 -10.653
  262    HA   THR  32           HA       THR  32  13.583  -5.412 -11.404
  263    HB   THR  32           HB       THR  32  12.816  -4.303  -8.667
  264    HG1  THR  32           HG1      THR  32  14.988  -4.150  -8.940
  265   1HG2  THR  32          HG21      THR  32  13.019  -6.678  -7.904
  266   2HG2  THR  32          HG22      THR  32  11.635  -6.391  -8.966
  267   3HG2  THR  32          HG23      THR  32  13.086  -7.190  -9.605
  268    H    LEU  33           H        LEU  33  11.732  -6.535 -11.840
  269    HA   LEU  33           HA       LEU  33   9.168  -5.025 -11.902
  270   1HB   LEU  33          HB2       LEU  33   9.979  -5.082 -14.173
  271   2HB   LEU  33          HB3       LEU  33  10.531  -6.754 -14.004
  272    HG   LEU  33           HG       LEU  33   8.174  -7.532 -13.832
  273   1HD1  LEU  33          HD11      LEU  33   7.406  -4.663 -14.512
  274   2HD1  LEU  33          HD12      LEU  33   6.318  -6.058 -14.316
  275   3HD1  LEU  33          HD13      LEU  33   7.158  -5.415 -12.926
  276   1HD2  LEU  33          HD21      LEU  33   9.273  -7.572 -15.979
  277   2HD2  LEU  33          HD22      LEU  33   7.598  -7.043 -16.231
  278   3HD2  LEU  33          HD23      LEU  33   8.919  -5.866 -16.260
  279    H    ILE  34           H        ILE  34   7.688  -6.106 -10.735
  280    HA   ILE  34           HA       ILE  34   7.988  -9.033 -10.403
  281    HB   ILE  34           HB       ILE  34   6.760  -7.132  -8.402
  282   1HG1  ILE  34          HG12      ILE  34   9.573  -8.207  -8.581
  283   2HG1  ILE  34          HG13      ILE  34   9.063  -6.537  -8.505
  284   1HG2  ILE  34          HG21      ILE  34   7.560 -10.060  -8.168
  285   2HG2  ILE  34          HG22      ILE  34   6.763  -9.073  -6.912
  286   3HG2  ILE  34          HG23      ILE  34   5.897  -9.450  -8.387
  287   1HD1  ILE  34          HD11      ILE  34   9.996  -7.153  -6.414
  288   2HD1  ILE  34          HD12      ILE  34   8.251  -6.859  -6.206
  289   3HD1  ILE  34          HD13      ILE  34   8.897  -8.527  -6.232
  290    H    HIS  35           H        HIS  35   6.346 -10.133 -11.233
  291    HA   HIS  35           HA       HIS  35   3.758  -8.724 -11.736
  292   1HB   HIS  35          HB2       HIS  35   3.778 -10.422 -13.828
  293   2HB   HIS  35          HB3       HIS  35   4.179  -8.721 -13.891
  294    HD1  HIS  35           HD1      HIS  35   5.905  -8.714 -15.808
  295    HD2  HIS  35           HD2      HIS  35   6.654 -11.580 -12.833
  296    HE1  HIS  35           HE1      HIS  35   8.162  -9.760 -16.355
  297    H    PHE  36           H        PHE  36   1.867  -9.937 -11.658
  298    HA   PHE  36           HA       PHE  36   2.099 -12.427 -10.068
  299   1HB   PHE  36          HB2       PHE  36   0.182 -10.065  -9.987
  300   2HB   PHE  36          HB3       PHE  36  -0.142 -11.597  -9.190
  301    HD1  PHE  36           HD1      PHE  36   0.267 -11.646  -6.883
  302    HD2  PHE  36           HD2      PHE  36   2.650  -9.024  -9.363
  303    HE1  PHE  36           HE1      PHE  36   1.473 -10.832  -4.889
  304    HE2  PHE  36           HE2      PHE  36   3.916  -8.304  -7.377
  305    HZ   PHE  36           HZ       PHE  36   3.331  -9.184  -5.149
  306    H    TRP  37           H        TRP  37   0.851 -14.099 -10.758
  307    HA   TRP  37           HA       TRP  37  -1.047 -13.812 -12.979
  308   1HB   TRP  37          HB2       TRP  37   0.174 -15.473 -14.329
  309   2HB   TRP  37          HB3       TRP  37   1.062 -13.987 -14.125
  310    HD1  TRP  37           HD1      TRP  37   3.290 -14.121 -12.447
  311    HE1  TRP  37           HE1      TRP  37   4.880 -15.994 -11.979
  312    HE3  TRP  37           HE3      TRP  37   0.511 -17.983 -14.356
  313    HZ2  TRP  37           HZ2      TRP  37   5.067 -18.867 -12.563
  314    HZ3  TRP  37           HZ3      TRP  37   1.525 -20.230 -14.541
  315    HH2  TRP  37           HH2      TRP  37   3.756 -20.704 -13.588
  316    H    SER  38           H        SER  38  -1.831 -16.200 -13.520
  317    HA   SER  38           HA       SER  38  -1.893 -18.080 -11.315
  318   1HB   SER  38          HB2       SER  38  -3.760 -17.046 -10.449
  319   2HB   SER  38          HB3       SER  38  -4.164 -16.261 -11.973
  320    HG   SER  38           HG       SER  38  -4.982 -18.723 -10.979
  321    H    ILE  39           H        ILE  39  -2.363 -20.145 -12.188
  322    HA   ILE  39           HA       ILE  39  -2.059 -20.439 -15.052
  323    HB   ILE  39           HB       ILE  39  -2.158 -22.857 -14.553
  324   1HG1  ILE  39          HG12      ILE  39  -2.691 -21.989 -11.685
  325   2HG1  ILE  39          HG13      ILE  39  -3.703 -22.997 -12.726
  326   1HG2  ILE  39          HG21      ILE  39  -0.243 -21.349 -12.750
  327   2HG2  ILE  39          HG22      ILE  39  -0.021 -22.950 -13.480
  328   3HG2  ILE  39          HG23      ILE  39  -0.114 -21.528 -14.508
  329   1HD1  ILE  39          HD11      ILE  39  -2.635 -24.462 -11.181
  330   2HD1  ILE  39          HD12      ILE  39  -1.778 -24.676 -12.725
  331   3HD1  ILE  39          HD13      ILE  39  -1.070 -23.681 -11.443
  332    H    SER  40           H        SER  40  -4.847 -19.774 -13.253
  333    HA   SER  40           HA       SER  40  -6.565 -20.864 -15.423
  334   1HB   SER  40          HB2       SER  40  -7.431 -21.064 -12.537
  335   2HB   SER  40          HB3       SER  40  -8.043 -21.922 -13.958
  336    HG   SER  40           HG       SER  40  -5.734 -22.239 -12.418
  337    H    CYS  41           H        CYS  41  -5.875 -18.475 -15.801
  338    HA   CYS  41           HA       CYS  41  -7.921 -16.612 -14.719
  339   1HB   CYS  41          HB2       CYS  41  -6.104 -16.271 -13.229
  340   2HB   CYS  41          HB3       CYS  41  -4.917 -16.527 -14.490
  341    H    HIS  42           H        HIS  42  -8.910 -16.033 -16.531
  342    HA   HIS  42           HA       HIS  42  -7.962 -16.475 -19.144
  343   1HB   HIS  42          HB2       HIS  42 -10.315 -14.764 -18.244
  344   2HB   HIS  42          HB3       HIS  42 -10.119 -15.551 -19.810
  345    HD1  HIS  42           HD1      HIS  42 -11.977 -16.129 -16.759
  346    HD2  HIS  42           HD2      HIS  42  -9.693 -18.479 -19.408
  347    HE1  HIS  42           HE1      HIS  42 -12.689 -18.540 -16.373
  348    H    LEU  43           H        LEU  43  -6.642 -14.110 -17.416
  349    HA   LEU  43           HA       LEU  43  -5.917 -12.859 -19.945
  350   1HB   LEU  43          HB2       LEU  43  -7.612 -11.368 -18.790
  351   2HB   LEU  43          HB3       LEU  43  -6.421 -11.049 -17.547
  352    HG   LEU  43           HG       LEU  43  -6.791  -9.385 -19.485
  353   1HD1  LEU  43          HD11      LEU  43  -3.877 -10.104 -19.027
  354   2HD1  LEU  43          HD12      LEU  43  -4.564  -8.555 -19.501
  355   3HD1  LEU  43          HD13      LEU  43  -4.898  -9.201 -17.891
  356   1HD2  LEU  43          HD21      LEU  43  -4.965 -11.275 -21.024
  357   2HD2  LEU  43          HD22      LEU  43  -6.695 -11.077 -21.319
  358   3HD2  LEU  43          HD23      LEU  43  -5.600  -9.707 -21.567
  359    H    CYS  44           H        CYS  44  -5.010 -13.965 -16.772
  360    HA   CYS  44           HA       CYS  44  -2.290 -13.118 -16.799
  361   1HB   CYS  44          HB2       CYS  44  -3.368 -15.769 -15.795
  362   2HB   CYS  44          HB3       CYS  44  -1.865 -14.988 -15.360
  363    H    LYS  45           H        LYS  45  -4.110 -15.591 -18.612
  364    HA   LYS  45           HA       LYS  45  -1.857 -16.893 -19.742
  365   1HB   LYS  45          HB2       LYS  45  -3.487 -17.562 -21.540
  366   2HB   LYS  45          HB3       LYS  45  -3.843 -18.008 -19.881
  367   1HG   LYS  45          HG2       LYS  45  -5.891 -17.455 -20.867
  368   2HG   LYS  45          HG3       LYS  45  -5.514 -16.184 -19.729
  369   1HD   LYS  45          HD2       LYS  45  -6.504 -15.297 -21.722
  370   2HD   LYS  45          HD3       LYS  45  -4.840 -14.693 -21.577
  371   1HE   LYS  45          HE2       LYS  45  -4.073 -16.360 -23.246
  372   2HE   LYS  45          HE3       LYS  45  -5.671 -17.128 -23.243
  373   1HZ   LYS  45          HZ1       LYS  45  -4.881 -14.571 -24.453
  374   2HZ   LYS  45          HZ2       LYS  45  -5.613 -15.839 -25.142
  375   3HZ   LYS  45          HZ3       LYS  45  -6.480 -14.895 -24.134
  376    H    GLU  46           H        GLU  46  -2.759 -13.614 -20.256
  377    HA   GLU  46           HA       GLU  46  -1.101 -13.551 -22.761
  378   1HB   GLU  46          HB2       GLU  46  -2.665 -11.366 -21.322
  379   2HB   GLU  46          HB3       GLU  46  -1.599 -11.081 -22.684
  380   1HG   GLU  46          HG2       GLU  46  -4.108 -12.794 -22.746
  381   2HG   GLU  46          HG3       GLU  46  -3.956 -11.157 -23.370
  382    H    ALA  47           H        ALA  47  -1.230 -12.639 -19.310
  383    HA   ALA  47           HA       ALA  47   1.167 -11.151 -19.270
  384   1HB   ALA  47          HB1       ALA  47   1.164 -11.530 -16.844
  385   2HB   ALA  47          HB2       ALA  47  -0.494 -11.192 -17.383
  386   3HB   ALA  47          HB3       ALA  47   0.015 -12.859 -17.006
  387    H    MET  48           H        MET  48   0.625 -14.666 -18.776
  388    HA   MET  48           HA       MET  48   3.245 -15.367 -18.025
  389   1HB   MET  48          HB2       MET  48   0.972 -16.832 -19.406
  390   2HB   MET  48          HB3       MET  48   2.453 -17.659 -18.916
  391   1HG   MET  48          HG2       MET  48   1.988 -17.470 -16.662
  392   2HG   MET  48          HG3       MET  48   1.087 -15.975 -16.837
  393   1HE   MET  48          HE1       MET  48   0.917 -19.736 -17.932
  394   2HE   MET  48          HE2       MET  48  -0.841 -19.984 -18.115
  395   3HE   MET  48          HE3       MET  48   0.028 -18.928 -19.244
  396    HA   PRO  49           HA       PRO  49   4.567 -16.116 -22.492
  397   1HB   PRO  49          HB2       PRO  49   3.286 -14.735 -24.538
  398   2HB   PRO  49          HB3       PRO  49   3.024 -16.455 -24.101
  399   1HG   PRO  49          HG2       PRO  49   1.381 -14.056 -23.383
  400   2HG   PRO  49          HG3       PRO  49   0.826 -15.695 -23.823
  401   1HD   PRO  49          HD2       PRO  49   0.950 -14.836 -21.224
  402   2HD   PRO  49          HD3       PRO  49   1.245 -16.533 -21.678
  403    H    GLN  50           H        GLN  50   3.204 -12.889 -21.463
  404    HA   GLN  50           HA       GLN  50   5.444 -11.545 -22.759
  405   1HB   GLN  50          HB2       GLN  50   3.078 -10.589 -22.225
  406   2HB   GLN  50          HB3       GLN  50   3.744 -10.309 -20.609
  407   1HG   GLN  50          HG2       GLN  50   5.678  -9.071 -21.749
  408   2HG   GLN  50          HG3       GLN  50   4.790  -9.238 -23.269
  409   1HE2  GLN  50          HE21      GLN  50   2.094  -8.692 -22.371
  410   2HE2  GLN  50          HE22      GLN  50   2.084  -7.063 -21.713
  411    H    VAL  51           H        VAL  51   4.803 -13.007 -19.562
  412    HA   VAL  51           HA       VAL  51   7.056 -11.917 -18.222
  413    HB   VAL  51           HB       VAL  51   5.484 -14.491 -17.876
  414   1HG1  VAL  51          HG11      VAL  51   6.524 -14.768 -15.671
  415   2HG1  VAL  51          HG12      VAL  51   7.692 -14.979 -16.973
  416   3HG1  VAL  51          HG13      VAL  51   7.679 -13.466 -16.042
  417   1HG2  VAL  51          HG21      VAL  51   5.630 -12.052 -16.079
  418   2HG2  VAL  51          HG22      VAL  51   4.393 -12.252 -17.313
  419   3HG2  VAL  51          HG23      VAL  51   4.493 -13.407 -15.976
  420    H    ASN  52           H        ASN  52   6.633 -14.818 -20.286
  421    HA   ASN  52           HA       ASN  52   9.334 -15.650 -20.425
  422   1HB   ASN  52          HB2       ASN  52   8.158 -17.199 -21.479
  423   2HB   ASN  52          HB3       ASN  52   6.869 -16.103 -21.895
  424   1HD2  ASN  52          HD22      ASN  52   6.491 -16.662 -24.009
  425   2HD2  ASN  52          HD21      ASN  52   7.698 -16.626 -25.269
  426    H    GLU  53           H        GLU  53   7.640 -13.162 -22.448
  427    HA   GLU  53           HA       GLU  53   9.949 -12.419 -23.913
  428   1HB   GLU  53          HB2       GLU  53   7.531 -10.737 -23.145
  429   2HB   GLU  53          HB3       GLU  53   8.821 -10.194 -24.201
  430   1HG   GLU  53          HG2       GLU  53   8.363 -11.965 -25.804
  431   2HG   GLU  53          HG3       GLU  53   7.139 -12.665 -24.744
  432    H    PHE  54           H        PHE  54   8.799 -11.045 -20.730
  433    HA   PHE  54           HA       PHE  54  10.850  -9.131 -20.572
  434   1HB   PHE  54          HB2       PHE  54   9.291 -10.566 -18.397
  435   2HB   PHE  54          HB3       PHE  54  10.534  -9.383 -18.017
  436    HD1  PHE  54           HD1      PHE  54  10.407  -7.059 -19.148
  437    HD2  PHE  54           HD2      PHE  54   7.067  -9.743 -18.702
  438    HE1  PHE  54           HE1      PHE  54   8.837  -5.202 -19.670
  439    HE2  PHE  54           HE2      PHE  54   5.509  -7.888 -19.142
  440    HZ   PHE  54           HZ       PHE  54   6.381  -5.627 -19.692
  441    H    ARG  55           H        ARG  55  10.840 -12.474 -19.283
  442    HA   ARG  55           HA       ARG  55  13.369 -12.209 -18.015
  443   1HB   ARG  55          HB2       ARG  55  13.377 -14.577 -17.793
  444   2HB   ARG  55          HB3       ARG  55  11.767 -13.880 -17.455
  445   1HG   ARG  55          HG2       ARG  55  11.327 -15.919 -18.451
  446   2HG   ARG  55          HG3       ARG  55  11.063 -14.692 -19.661
  447   1HD   ARG  55          HD2       ARG  55  13.601 -15.360 -20.355
  448   2HD   ARG  55          HD3       ARG  55  13.207 -16.799 -19.472
  449    HE   ARG  55           HE       ARG  55  11.590 -15.691 -21.728
  450   1HH1  ARG  55          HH21      ARG  55  12.956 -18.636 -20.146
  451   2HH1  ARG  55          HH22      ARG  55  12.430 -19.644 -21.472
  452   1HH2  ARG  55          HH11      ARG  55  10.912 -17.216 -23.362
  453   2HH2  ARG  55          HH12      ARG  55  11.338 -18.912 -23.152
  454    H    ASP  56           H        ASP  56  12.616 -12.894 -21.277
  455    HA   ASP  56           HA       ASP  56  15.512 -13.385 -21.862
  456   1HB   ASP  56          HB2       ASP  56  13.983 -14.830 -22.933
  457   2HB   ASP  56          HB3       ASP  56  13.090 -13.472 -23.650
  458    H    LYS  57           H        LYS  57  13.082 -10.901 -22.915
  459    HA   LYS  57           HA       LYS  57  14.924  -9.495 -24.589
  460   1HB   LYS  57          HB2       LYS  57  12.431  -8.578 -23.089
  461   2HB   LYS  57          HB3       LYS  57  13.313  -7.560 -24.231
  462   1HG   LYS  57          HG2       LYS  57  12.838  -9.116 -26.049
  463   2HG   LYS  57          HG3       LYS  57  11.978 -10.192 -24.920
  464   1HD   LYS  57          HD2       LYS  57  10.329  -8.456 -24.429
  465   2HD   LYS  57          HD3       LYS  57  11.243  -7.259 -25.360
  466   1HE   LYS  57          HE2       LYS  57  10.816  -8.422 -27.436
  467   2HE   LYS  57          HE3       LYS  57   9.983  -9.740 -26.593
  468   1HZ   LYS  57          HZ1       LYS  57   8.660  -7.761 -27.628
  469   2HZ   LYS  57          HZ2       LYS  57   8.156  -8.451 -26.242
  470   3HZ   LYS  57          HZ3       LYS  57   8.977  -7.015 -26.191
  471    H    TYR  58           H        TYR  58  14.037  -9.098 -21.177
  472    HA   TYR  58           HA       TYR  58  15.922  -6.781 -21.039
  473   1HB   TYR  58          HB2       TYR  58  13.403  -7.209 -19.446
  474   2HB   TYR  58          HB3       TYR  58  14.444  -5.789 -19.424
  475    HD1  TYR  58           HD1      TYR  58  14.873  -4.605 -21.770
  476    HD2  TYR  58           HD2      TYR  58  11.569  -7.227 -20.939
  477    HE1  TYR  58           HE1      TYR  58  13.626  -3.646 -23.683
  478    HE2  TYR  58           HE2      TYR  58  10.308  -6.287 -22.838
  479    HH   TYR  58           HH       TYR  58  10.378  -4.864 -24.676
  480    H    GLN  59           H        GLN  59  15.829  -9.922 -19.845
  481    HA   GLN  59           HA       GLN  59  16.570  -9.857 -17.258
  482   1HB   GLN  59          HB2       GLN  59  18.267 -11.746 -17.867
  483   2HB   GLN  59          HB3       GLN  59  16.551 -11.951 -18.067
  484   1HG   GLN  59          HG2       GLN  59  17.773 -12.914 -19.968
  485   2HG   GLN  59          HG3       GLN  59  16.720 -11.632 -20.492
  486   1HE2  GLN  59          HE21      GLN  59  17.644 -10.320 -22.018
  487   2HE2  GLN  59          HE22      GLN  59  19.328  -9.853 -22.077
  488    H    ASP  60           H        ASP  60  18.819  -8.673 -19.770
  489    HA   ASP  60           HA       ASP  60  21.072  -8.548 -17.920
  490   1HB   ASP  60          HB2       ASP  60  21.315  -8.984 -20.346
  491   2HB   ASP  60          HB3       ASP  60  20.672  -7.382 -20.702
  492    H    GLN  61           H        GLN  61  18.367  -6.597 -18.342
  493    HA   GLN  61           HA       GLN  61  19.713  -4.008 -17.662
  494   1HB   GLN  61          HB2       GLN  61  17.173  -4.576 -19.246
  495   2HB   GLN  61          HB3       GLN  61  17.925  -3.002 -19.037
  496   1HG   GLN  61          HG2       GLN  61  19.517  -3.391 -20.663
  497   2HG   GLN  61          HG3       GLN  61  19.642  -5.104 -20.314
  498   1HE2  GLN  61          HE22      GLN  61  18.696  -6.548 -21.738
  499   2HE2  GLN  61          HE21      GLN  61  17.360  -6.165 -22.786
  500    H    LEU  62           H        LEU  62  17.288  -6.337 -16.898
  501    HA   LEU  62           HA       LEU  62  15.999  -4.666 -14.783
  502   1HB   LEU  62          HB2       LEU  62  14.790  -4.643 -17.019
  503   2HB   LEU  62          HB3       LEU  62  14.761  -6.396 -16.972
  504    HG   LEU  62           HG       LEU  62  13.360  -6.260 -14.867
  505   1HD1  LEU  62          HD11      LEU  62  13.096  -3.333 -15.695
  506   2HD1  LEU  62          HD12      LEU  62  12.161  -4.155 -14.429
  507   3HD1  LEU  62          HD13      LEU  62  13.896  -3.913 -14.226
  508   1HD2  LEU  62          HD21      LEU  62  11.313  -5.670 -16.210
  509   2HD2  LEU  62          HD22      LEU  62  12.410  -5.130 -17.511
  510   3HD2  LEU  62          HD23      LEU  62  12.400  -6.818 -17.003
  511    H    ASN  63           H        ASN  63  15.520  -5.872 -12.940
  512    HA   ASN  63           HA       ASN  63  16.175  -8.757 -12.824
  513   1HB   ASN  63          HB2       ASN  63  15.044  -6.755 -10.863
  514   2HB   ASN  63          HB3       ASN  63  15.095  -8.463 -10.510
  515   1HD2  ASN  63          HD22      ASN  63  16.371  -6.135  -9.244
  516   2HD2  ASN  63          HD21      ASN  63  18.060  -6.637  -9.080
  517    H    VAL  64           H        VAL  64  14.588 -10.313 -13.163
  518    HA   VAL  64           HA       VAL  64  11.749  -9.407 -13.403
  519    HB   VAL  64           HB       VAL  64  13.038 -11.655 -15.003
  520   1HG1  VAL  64          HG11      VAL  64  10.522 -10.007 -15.509
  521   2HG1  VAL  64          HG12      VAL  64  11.070 -11.439 -16.417
  522   3HG1  VAL  64          HG13      VAL  64  10.528 -11.600 -14.745
  523   1HG2  VAL  64          HG21      VAL  64  13.024 -10.077 -16.967
  524   2HG2  VAL  64          HG22      VAL  64  12.728  -8.744 -15.829
  525   3HG2  VAL  64          HG23      VAL  64  14.235  -9.684 -15.757
  526    H    VAL  65           H        VAL  65  10.433 -10.391 -11.917
  527    HA   VAL  65           HA       VAL  65  10.943 -13.158 -11.117
  528    HB   VAL  65           HB       VAL  65  12.341 -12.021  -9.533
  529   1HG1  VAL  65          HG11      VAL  65  11.423  -9.715  -9.624
  530   2HG1  VAL  65          HG12      VAL  65   9.970 -10.278  -8.764
  531   3HG1  VAL  65          HG13      VAL  65  11.563 -10.292  -7.967
  532   1HG2  VAL  65          HG21      VAL  65  10.965 -13.883  -8.654
  533   2HG2  VAL  65          HG22      VAL  65  11.442 -12.702  -7.427
  534   3HG2  VAL  65          HG23      VAL  65   9.782 -12.700  -8.056
  535    H    ALA  66           H        ALA  66   8.990 -14.098 -10.160
  536    HA   ALA  66           HA       ALA  66   6.560 -12.454 -10.671
  537   1HB   ALA  66          HB1       ALA  66   6.941 -15.238 -11.739
  538   2HB   ALA  66          HB2       ALA  66   5.626 -14.079 -12.076
  539   3HB   ALA  66          HB3       ALA  66   7.243 -13.756 -12.692
  540    H    VAL  67           H        VAL  67   4.568 -13.492  -9.979
  541    HA   VAL  67           HA       VAL  67   4.917 -15.080  -7.495
  542    HB   VAL  67           HB       VAL  67   3.045 -12.712  -7.799
  543   1HG1  VAL  67          HG11      VAL  67   4.104 -14.296  -5.425
  544   2HG1  VAL  67          HG12      VAL  67   3.143 -12.811  -5.278
  545   3HG1  VAL  67          HG13      VAL  67   2.438 -14.243  -6.029
  546   1HG2  VAL  67          HG21      VAL  67   5.143 -11.658  -8.080
  547   2HG2  VAL  67          HG22      VAL  67   4.713 -11.419  -6.386
  548   3HG2  VAL  67          HG23      VAL  67   5.912 -12.655  -6.819
  549    H    HIS  68           H        HIS  68   3.232 -16.607  -7.174
  550    HA   HIS  68           HA       HIS  68   1.067 -16.580  -9.239
  551   1HB   HIS  68          HB2       HIS  68   2.639 -18.337  -9.815
  552   2HB   HIS  68          HB3       HIS  68   2.589 -18.976  -8.173
  553    HD1  HIS  68           HD1      HIS  68   0.017 -19.994  -7.445
  554    HD2  HIS  68           HD2      HIS  68   0.767 -19.103 -11.487
  555    HE1  HIS  68           HE1      HIS  68  -1.880 -21.040  -8.778
  556    H    MET  69           H        MET  69  -0.851 -16.325  -8.304
  557    HA   MET  69           HA       MET  69  -1.160 -17.213  -5.478
  558   1HB   MET  69          HB2       MET  69  -2.730 -15.413  -5.146
  559   2HB   MET  69          HB3       MET  69  -1.053 -14.910  -5.363
  560   1HG   MET  69          HG2       MET  69  -1.434 -14.030  -7.523
  561   2HG   MET  69          HG3       MET  69  -3.015 -14.788  -7.671
  562   1HE   MET  69          HE1       MET  69  -4.586 -14.133  -4.979
  563   2HE   MET  69          HE2       MET  69  -5.394 -12.667  -5.565
  564   3HE   MET  69          HE3       MET  69  -5.182 -14.056  -6.653
  565    HA   PRO  70           HA       PRO  70  -4.306 -19.840  -7.410
  566   1HB   PRO  70          HB2       PRO  70  -5.000 -20.027  -4.457
  567   2HB   PRO  70          HB3       PRO  70  -4.979 -21.318  -5.697
  568   1HG   PRO  70          HG2       PRO  70  -2.905 -21.055  -3.967
  569   2HG   PRO  70          HG3       PRO  70  -2.561 -21.325  -5.707
  570   1HD   PRO  70          HD2       PRO  70  -2.558 -18.691  -4.193
  571   2HD   PRO  70          HD3       PRO  70  -1.362 -19.340  -5.359
  572    H    ARG  71           H        ARG  71  -6.212 -19.085  -8.235
  573    HA   ARG  71           HA       ARG  71  -7.766 -17.042  -6.735
  574   1HB   ARG  71          HB2       ARG  71  -8.349 -18.283  -9.451
  575   2HB   ARG  71          HB3       ARG  71  -9.109 -16.858  -8.729
  576   1HG   ARG  71          HG2       ARG  71  -6.714 -15.847  -8.656
  577   2HG   ARG  71          HG3       ARG  71  -6.265 -17.148  -9.755
  578   1HD   ARG  71          HD2       ARG  71  -8.234 -14.899 -10.198
  579   2HD   ARG  71          HD3       ARG  71  -6.747 -15.217 -11.083
  580    HE   ARG  71           HE       ARG  71  -7.843 -17.325 -11.937
  581   1HH1  ARG  71          HH21      ARG  71  -9.915 -14.585 -10.961
  582   2HH1  ARG  71          HH22      ARG  71 -11.256 -15.101 -11.911
  583   1HH2  ARG  71          HH11      ARG  71  -9.580 -17.968 -13.184
  584   2HH2  ARG  71          HH12      ARG  71 -11.080 -17.084 -13.199
  585    H    SER  72           H        SER  72  -7.697 -20.482  -7.120
  586    HA   SER  72           HA       SER  72 -10.322 -20.855  -5.836
  587   1HB   SER  72          HB2       SER  72  -9.547 -22.169  -8.482
  588   2HB   SER  72          HB3       SER  72 -11.083 -22.333  -7.620
  589    HG   SER  72           HG       SER  72 -11.234 -20.880  -9.374
  590    H    GLU  73           H        GLU  73 -10.577 -23.200  -5.223
  591    HA   GLU  73           HA       GLU  73  -8.180 -24.430  -4.233
  592   1HB   GLU  73          HB2       GLU  73 -10.964 -25.582  -4.716
  593   2HB   GLU  73          HB3       GLU  73  -9.694 -26.370  -3.784
  594   1HG   GLU  73          HG2       GLU  73 -11.030 -23.719  -3.083
  595   2HG   GLU  73          HG3       GLU  73 -11.370 -25.276  -2.347
  596    H    ASP  74           H        ASP  74  -9.772 -24.527  -7.349
  597    HA   ASP  74           HA       ASP  74  -8.260 -26.876  -8.249
  598   1HB   ASP  74          HB2       ASP  74 -10.664 -26.491  -8.866
  599   2HB   ASP  74          HB3       ASP  74 -10.173 -25.049  -9.754
  600    H    ASP  75           H        ASP  75  -7.219 -23.998  -7.575
  601    HA   ASP  75           HA       ASP  75  -5.548 -23.616 -10.026
  602   1HB   ASP  75          HB2       ASP  75  -7.431 -21.942  -9.699
  603   2HB   ASP  75          HB3       ASP  75  -6.591 -21.400  -8.242
  604    H    LEU  76           H        LEU  76  -5.143 -25.008  -7.315
  605    HA   LEU  76           HA       LEU  76  -2.542 -23.721  -6.662
  606   1HB   LEU  76          HB2       LEU  76  -2.877 -24.353  -4.313
  607   2HB   LEU  76          HB3       LEU  76  -4.029 -23.185  -4.918
  608    HG   LEU  76           HG       LEU  76  -5.782 -24.875  -5.066
  609   1HD1  LEU  76          HD11      LEU  76  -3.738 -26.746  -3.784
  610   2HD1  LEU  76          HD12      LEU  76  -5.492 -27.034  -3.795
  611   3HD1  LEU  76          HD13      LEU  76  -4.616 -26.993  -5.315
  612   1HD2  LEU  76          HD21      LEU  76  -6.157 -25.039  -2.641
  613   2HD2  LEU  76          HD22      LEU  76  -4.449 -24.643  -2.342
  614   3HD2  LEU  76          HD23      LEU  76  -5.531 -23.448  -3.094
  615    H    ASP  77           H        ASP  77  -3.707 -26.279  -8.219
  616    HA   ASP  77           HA       ASP  77  -2.660 -28.582  -7.047
  617   1HB   ASP  77          HB2       ASP  77  -4.290 -28.587  -8.849
  618   2HB   ASP  77          HB3       ASP  77  -3.086 -27.964  -9.978
  619    HA   PRO  78           HA       PRO  78   1.709 -27.366  -7.307
  620   1HB   PRO  78          HB2       PRO  78   2.010 -30.333  -6.843
  621   2HB   PRO  78          HB3       PRO  78   2.889 -28.975  -6.076
  622   1HG   PRO  78          HG2       PRO  78   0.853 -30.212  -4.778
  623   2HG   PRO  78          HG3       PRO  78   1.001 -28.422  -4.723
  624   1HD   PRO  78          HD2       PRO  78  -0.857 -30.105  -6.410
  625   2HD   PRO  78          HD3       PRO  78  -1.175 -28.555  -5.583
  626    H    GLY  79           H        GLY  79   0.328 -30.116  -9.111
  627   1HA   GLY  79          HA2       GLY  79   2.629 -30.520 -10.847
  628   2HA   GLY  79          HA3       GLY  79   1.008 -31.241 -10.979
  629    H    LYS  80           H        LYS  80  -0.653 -28.929 -11.041
  630    HA   LYS  80           HA       LYS  80  -0.227 -28.201 -13.798
  631   1HB   LYS  80          HB2       LYS  80  -2.468 -28.509 -12.549
  632   2HB   LYS  80          HB3       LYS  80  -2.190 -26.865 -11.942
  633   1HG   LYS  80          HG2       LYS  80  -1.715 -26.318 -14.486
  634   2HG   LYS  80          HG3       LYS  80  -2.495 -27.845 -14.822
  635   1HD   LYS  80          HD2       LYS  80  -4.615 -27.062 -14.126
  636   2HD   LYS  80          HD3       LYS  80  -3.914 -25.805 -13.073
  637   1HE   LYS  80          HE2       LYS  80  -2.943 -24.701 -15.069
  638   2HE   LYS  80          HE3       LYS  80  -3.753 -25.854 -16.110
  639   1HZ   LYS  80          HZ1       LYS  80  -5.265 -24.065 -14.244
  640   2HZ   LYS  80          HZ2       LYS  80  -4.926 -23.652 -15.771
  641   3HZ   LYS  80          HZ3       LYS  80  -5.871 -24.964 -15.472
  642    H    ILE  81           H        ILE  81   0.520 -26.516 -10.720
  643    HA   ILE  81           HA       ILE  81   1.049 -23.956 -11.888
  644    HB   ILE  81           HB       ILE  81   2.256 -25.379  -9.494
  645   1HG1  ILE  81          HG12      ILE  81   0.324 -23.037  -9.350
  646   2HG1  ILE  81          HG13      ILE  81  -0.308 -24.665  -9.602
  647   1HG2  ILE  81          HG21      ILE  81   2.994 -23.093  -8.745
  648   2HG2  ILE  81          HG22      ILE  81   3.821 -23.652 -10.191
  649   3HG2  ILE  81          HG23      ILE  81   2.515 -22.453 -10.327
  650   1HD1  ILE  81          HD11      ILE  81  -0.259 -24.125  -7.224
  651   2HD1  ILE  81          HD12      ILE  81   0.775 -25.509  -7.658
  652   3HD1  ILE  81          HD13      ILE  81   1.507 -23.934  -7.295
  653    H    LYS  82           H        LYS  82   3.228 -26.710 -11.172
  654    HA   LYS  82           HA       LYS  82   5.480 -25.704 -12.565
  655   1HB   LYS  82          HB2       LYS  82   5.726 -27.566 -11.063
  656   2HB   LYS  82          HB3       LYS  82   4.520 -28.518 -11.929
  657   1HG   LYS  82          HG2       LYS  82   6.686 -29.390 -12.468
  658   2HG   LYS  82          HG3       LYS  82   5.982 -28.643 -13.907
  659   1HD   LYS  82          HD2       LYS  82   7.416 -26.638 -13.578
  660   2HD   LYS  82          HD3       LYS  82   8.076 -27.353 -12.089
  661   1HE   LYS  82          HE2       LYS  82   8.936 -29.280 -13.419
  662   2HE   LYS  82          HE3       LYS  82   8.290 -28.549 -14.892
  663   1HZ   LYS  82          HZ1       LYS  82   9.809 -26.682 -14.552
  664   2HZ   LYS  82          HZ2       LYS  82  10.405 -27.363 -13.185
  665   3HZ   LYS  82          HZ3       LYS  82  10.640 -28.080 -14.626
  666    H    GLU  83           H        GLU  83   2.866 -27.888 -13.808
  667    HA   GLU  83           HA       GLU  83   4.127 -28.273 -16.297
  668   1HB   GLU  83          HB2       GLU  83   1.231 -28.515 -15.414
  669   2HB   GLU  83          HB3       GLU  83   1.703 -28.838 -17.077
  670   1HG   GLU  83          HG2       GLU  83   2.990 -30.266 -14.714
  671   2HG   GLU  83          HG3       GLU  83   1.568 -30.865 -15.559
  672    H    THR  84           H        THR  84   1.564 -25.840 -15.430
  673    HA   THR  84           HA       THR  84   1.541 -24.719 -18.029
  674    HB   THR  84           HB       THR  84   1.031 -23.174 -15.479
  675    HG1  THR  84           HG1      THR  84  -0.094 -25.029 -15.152
  676   1HG2  THR  84          HG21      THR  84  -0.334 -23.178 -18.207
  677   2HG2  THR  84          HG22      THR  84  -0.801 -22.164 -16.822
  678   3HG2  THR  84          HG23      THR  84   0.782 -21.940 -17.591
  679    H    ALA  85           H        ALA  85   3.789 -24.176 -15.308
  680    HA   ALA  85           HA       ALA  85   5.025 -21.826 -16.404
  681   1HB   ALA  85          HB1       ALA  85   6.871 -22.309 -14.888
  682   2HB   ALA  85          HB2       ALA  85   5.337 -22.548 -14.029
  683   3HB   ALA  85          HB3       ALA  85   6.272 -23.953 -14.600
  684    H    ALA  86           H        ALA  86   5.405 -25.322 -17.006
  685    HA   ALA  86           HA       ALA  86   7.832 -24.984 -18.593
  686   1HB   ALA  86          HB1       ALA  86   7.490 -27.339 -19.169
  687   2HB   ALA  86          HB2       ALA  86   7.320 -27.115 -17.416
  688   3HB   ALA  86          HB3       ALA  86   5.878 -27.327 -18.435
  689    H    GLU  87           H        GLU  87   4.290 -25.323 -19.175
  690    HA   GLU  87           HA       GLU  87   4.510 -25.513 -21.989
  691   1HB   GLU  87          HB2       GLU  87   2.228 -24.665 -20.171
  692   2HB   GLU  87          HB3       GLU  87   2.056 -24.722 -21.927
  693   1HG   GLU  87          HG2       GLU  87   2.733 -27.106 -21.940
  694   2HG   GLU  87          HG3       GLU  87   2.829 -27.098 -20.185
  695    H    HIS  88           H        HIS  88   4.422 -22.656 -19.901
  696    HA   HIS  88           HA       HIS  88   4.480 -20.889 -22.303
  697   1HB   HIS  88          HB2       HIS  88   3.750 -20.428 -19.411
  698   2HB   HIS  88          HB3       HIS  88   3.995 -19.104 -20.554
  699    HD1  HIS  88           HD1      HIS  88   2.046 -18.701 -22.347
  700    HD2  HIS  88           HD2      HIS  88   1.609 -22.100 -19.905
  701    HE1  HIS  88           HE1      HIS  88  -0.327 -19.547 -22.713
  702    H    ASP  89           H        ASP  89   6.723 -22.484 -20.560
  703    HA   ASP  89           HA       ASP  89   8.905 -22.302 -20.246
  704   1HB   ASP  89          HB2       ASP  89   8.709 -22.003 -22.733
  705   2HB   ASP  89          HB3       ASP  89   8.909 -20.264 -22.498
  706    H    ILE  90           H        ILE  90   7.648 -21.050 -18.365
  707    HA   ILE  90           HA       ILE  90   8.520 -18.288 -17.946
  708    HB   ILE  90           HB       ILE  90   6.917 -20.142 -16.127
  709   1HG1  ILE  90          HG12      ILE  90   5.887 -18.318 -18.341
  710   2HG1  ILE  90          HG13      ILE  90   5.708 -20.071 -18.215
  711   1HG2  ILE  90          HG21      ILE  90   6.169 -18.129 -15.037
  712   2HG2  ILE  90          HG22      ILE  90   7.917 -18.017 -15.200
  713   3HG2  ILE  90          HG23      ILE  90   6.884 -17.110 -16.319
  714   1HD1  ILE  90          HD11      ILE  90   4.364 -19.717 -16.099
  715   2HD1  ILE  90          HD12      ILE  90   4.350 -17.980 -16.485
  716   3HD1  ILE  90          HD13      ILE  90   3.608 -19.141 -17.587
  717    H    THR  91           H        THR  91  10.884 -18.885 -18.000
  718    HA   THR  91           HA       THR  91  11.851 -20.752 -16.005
  719    HB   THR  91           HB       THR  91  14.029 -20.358 -17.126
  720    HG1  THR  91           HG1      THR  91  13.937 -18.358 -17.911
  721   1HG2  THR  91          HG21      THR  91  11.747 -20.927 -19.064
  722   2HG2  THR  91          HG22      THR  91  13.451 -21.377 -19.260
  723   3HG2  THR  91          HG23      THR  91  12.488 -22.110 -17.966
  724    H    GLN  92           H        GLN  92  11.294 -17.352 -15.879
  725    HA   GLN  92           HA       GLN  92  13.654 -16.702 -14.362
  726   1HB   GLN  92          HB2       GLN  92  12.799 -14.567 -14.087
  727   2HB   GLN  92          HB3       GLN  92  12.206 -15.058 -15.652
  728   1HG   GLN  92          HG2       GLN  92  10.634 -14.903 -13.051
  729   2HG   GLN  92          HG3       GLN  92  10.526 -13.802 -14.399
  730   1HE2  GLN  92          HE22      GLN  92   8.326 -15.194 -13.198
  731   2HE2  GLN  92          HE21      GLN  92   7.620 -16.173 -14.457
  732    HA   PRO  93           HA       PRO  93  12.499 -18.027 -10.233
  733   1HB   PRO  93          HB2       PRO  93  12.781 -15.079  -9.528
  734   2HB   PRO  93          HB3       PRO  93  13.329 -16.511  -8.596
  735   1HG   PRO  93          HG2       PRO  93  15.101 -15.156 -10.138
  736   2HG   PRO  93          HG3       PRO  93  15.074 -16.950 -10.219
  737   1HD   PRO  93          HD2       PRO  93  13.805 -14.940 -12.091
  738   2HD   PRO  93          HD3       PRO  93  14.753 -16.410 -12.487
  739    H    ILE  94           H        ILE  94  10.527 -18.460  -9.329
  740    HA   ILE  94           HA       ILE  94   8.494 -16.338  -9.258
  741    HB   ILE  94           HB       ILE  94   7.886 -19.230  -9.964
  742   1HG1  ILE  94          HG12      ILE  94   6.918 -17.553 -12.066
  743   2HG1  ILE  94          HG13      ILE  94   8.571 -17.054 -11.765
  744   1HG2  ILE  94          HG21      ILE  94   6.000 -18.366  -8.758
  745   2HG2  ILE  94          HG22      ILE  94   6.009 -16.853  -9.695
  746   3HG2  ILE  94          HG23      ILE  94   5.557 -18.397 -10.436
  747   1HD1  ILE  94          HD11      ILE  94   7.576 -19.848 -12.387
  748   2HD1  ILE  94          HD12      ILE  94   8.633 -18.795 -13.361
  749   3HD1  ILE  94          HD13      ILE  94   9.228 -19.479 -11.823
  750    H    PHE  95           H        PHE  95   7.016 -16.703  -7.457
  751    HA   PHE  95           HA       PHE  95   7.595 -18.987  -5.735
  752   1HB   PHE  95          HB2       PHE  95   7.698 -17.627  -3.707
  753   2HB   PHE  95          HB3       PHE  95   9.048 -17.401  -4.817
  754    HD1  PHE  95           HD1      PHE  95   5.839 -15.779  -3.710
  755    HD2  PHE  95           HD2      PHE  95   9.709 -15.256  -5.549
  756    HE1  PHE  95           HE1      PHE  95   5.531 -13.331  -3.678
  757    HE2  PHE  95           HE2      PHE  95   9.414 -12.797  -5.471
  758    HZ   PHE  95           HZ       PHE  95   7.297 -11.830  -4.588
  759    H    VAL  96           H        VAL  96   5.807 -19.472  -4.380
  760    HA   VAL  96           HA       VAL  96   3.285 -18.548  -5.663
  761    HB   VAL  96           HB       VAL  96   3.926 -21.308  -4.582
  762   1HG1  VAL  96          HG11      VAL  96   1.823 -20.250  -6.513
  763   2HG1  VAL  96          HG12      VAL  96   2.034 -21.957  -6.114
  764   3HG1  VAL  96          HG13      VAL  96   1.533 -20.806  -4.861
  765   1HG2  VAL  96          HG21      VAL  96   4.355 -20.385  -7.440
  766   2HG2  VAL  96          HG22      VAL  96   5.556 -21.054  -6.303
  767   3HG2  VAL  96          HG23      VAL  96   4.275 -22.085  -6.911
  768    H    ASP  97           H        ASP  97   1.547 -18.217  -4.262
  769    HA   ASP  97           HA       ASP  97   2.227 -18.417  -1.373
  770   1HB   ASP  97          HB2       ASP  97   1.940 -16.052  -2.118
  771   2HB   ASP  97          HB3       ASP  97   0.243 -16.436  -2.490
  772    H    SER  98           H        SER  98   0.453 -19.067   0.067
  773    HA   SER  98           HA       SER  98  -1.071 -21.224  -0.925
  774   1HB   SER  98          HB2       SER  98  -1.534 -19.577   1.591
  775   2HB   SER  98          HB3       SER  98  -2.015 -21.261   1.301
  776    HG   SER  98           HG       SER  98  -0.090 -21.159   2.503
  777    H    ASP  99           H        ASP  99  -1.857 -17.729  -0.575
  778    HA   ASP  99           HA       ASP  99  -4.078 -18.050  -2.404
  779   1HB   ASP  99          HB2       ASP  99  -5.213 -18.858  -0.374
  780   2HB   ASP  99          HB3       ASP  99  -4.764 -17.384   0.482
  781    H    HIS 100           H        HIS 100  -2.159 -15.912  -0.236
  782    HA   HIS 100           HA       HIS 100  -2.601 -13.711  -2.044
  783   1HB   HIS 100          HB2       HIS 100  -3.513 -12.151  -0.259
  784   2HB   HIS 100          HB3       HIS 100  -4.628 -13.289  -0.976
  785    HD1  HIS 100           HD1      HIS 100  -5.725 -15.124   0.626
  786    HD2  HIS 100           HD2      HIS 100  -2.996 -12.474   2.437
  787    HE1  HIS 100           HE1      HIS 100  -5.973 -15.433   3.141
  788    H    ALA 101           H        ALA 101  -1.683 -14.094   1.409
  789    HA   ALA 101           HA       ALA 101  -0.417 -12.674   2.625
  790   1HB   ALA 101          HB1       ALA 101   1.757 -14.129   1.063
  791   2HB   ALA 101          HB2       ALA 101   1.902 -13.424   2.686
  792   3HB   ALA 101          HB3       ALA 101   0.828 -14.810   2.417
  793    H    LEU 102           H        LEU 102   2.059 -12.420   0.101
  794    HA   LEU 102           HA       LEU 102   2.646  -9.755   0.380
  795   1HB   LEU 102          HB2       LEU 102   3.747 -11.619  -0.993
  796   2HB   LEU 102          HB3       LEU 102   2.576 -11.275  -2.249
  797    HG   LEU 102           HG       LEU 102   4.927  -9.590  -1.296
  798   1HD1  LEU 102          HD11      LEU 102   5.379  -9.713  -3.806
  799   2HD1  LEU 102          HD12      LEU 102   5.514 -11.217  -2.876
  800   3HD1  LEU 102          HD13      LEU 102   4.092 -10.921  -3.889
  801   1HD2  LEU 102          HD21      LEU 102   3.249  -7.893  -1.551
  802   2HD2  LEU 102          HD22      LEU 102   4.258  -7.861  -2.986
  803   3HD2  LEU 102          HD23      LEU 102   2.654  -8.621  -3.060
  804    H    THR 103           H        THR 103   0.205 -11.197  -1.782
  805    HA   THR 103           HA       THR 103  -0.784  -8.946  -3.110
  806    HB   THR 103           HB       THR 103  -2.397 -11.317  -2.141
  807    HG1  THR 103           HG1      THR 103  -0.743 -12.345  -3.013
  808   1HG2  THR 103          HG21      THR 103  -3.483  -9.419  -3.485
  809   2HG2  THR 103          HG22      THR 103  -2.558 -10.058  -4.871
  810   3HG2  THR 103          HG23      THR 103  -3.731 -11.086  -4.032
  811    H    ASP 104           H        ASP 104  -1.615 -10.161   0.160
  812    HA   ASP 104           HA       ASP 104  -3.816  -8.230   0.482
  813   1HB   ASP 104          HB2       ASP 104  -4.023 -10.446   1.475
  814   2HB   ASP 104          HB3       ASP 104  -2.485 -10.273   2.324
  815    H    ALA 105           H        ALA 105  -0.385  -8.465   1.051
  816    HA   ALA 105           HA       ALA 105  -0.274  -6.625   3.303
  817   1HB   ALA 105          HB1       ALA 105   1.423  -8.443   2.914
  818   2HB   ALA 105          HB2       ALA 105   1.969  -7.571   1.458
  819   3HB   ALA 105          HB3       ALA 105   2.145  -6.826   3.052
  820    H    PHE 106           H        PHE 106  -0.085  -6.444  -0.202
  821    HA   PHE 106           HA       PHE 106   0.119  -3.493   0.010
  822   1HB   PHE 106          HB2       PHE 106   1.554  -3.360  -1.737
  823   2HB   PHE 106          HB3       PHE 106   2.183  -4.625  -0.732
  824    HD1  PHE 106           HD1      PHE 106   3.382  -4.238  -3.197
  825    HD2  PHE 106           HD2      PHE 106  -0.223  -6.483  -2.423
  826    HE1  PHE 106           HE1      PHE 106   3.677  -5.444  -5.328
  827    HE2  PHE 106           HE2      PHE 106   0.103  -7.692  -4.568
  828    HZ   PHE 106           HZ       PHE 106   1.987  -7.109  -6.038
  829    H    GLU 107           H        GLU 107  -2.164  -5.425  -0.166
  830    HA   GLU 107           HA       GLU 107  -4.133  -5.748  -1.183
  831   1HB   GLU 107          HB2       GLU 107  -3.870  -2.749  -0.983
  832   2HB   GLU 107          HB3       GLU 107  -5.411  -3.593  -1.279
  833   1HG   GLU 107          HG2       GLU 107  -5.102  -4.850   0.849
  834   2HG   GLU 107          HG3       GLU 107  -3.623  -3.938   1.168
  835    H    ASN 108           H        ASN 108  -2.495  -6.408  -3.206
  836    HA   ASN 108           HA       ASN 108  -3.255  -5.114  -5.693
  837   1HB   ASN 108          HB2       ASN 108  -1.349  -6.544  -5.635
  838   2HB   ASN 108          HB3       ASN 108  -2.259  -7.865  -4.926
  839   1HD2  ASN 108          HD22      ASN 108  -1.381  -9.161  -6.800
  840   2HD2  ASN 108          HD21      ASN 108  -2.290  -9.091  -8.287
  841    H    GLU 109           H        GLU 109  -5.451  -4.824  -5.932
  842    HA   GLU 109           HA       GLU 109  -7.388  -6.791  -5.021
  843   1HB   GLU 109          HB2       GLU 109  -7.644  -4.159  -6.540
  844   2HB   GLU 109          HB3       GLU 109  -9.017  -5.138  -6.007
  845   1HG   GLU 109          HG2       GLU 109  -8.225  -4.957  -3.645
  846   2HG   GLU 109          HG3       GLU 109  -6.948  -3.866  -4.163
  847    H    TYR 110           H        TYR 110  -5.375  -7.345  -7.405
  848    HA   TYR 110           HA       TYR 110  -7.364  -8.415  -9.348
  849   1HB   TYR 110          HB2       TYR 110  -4.821  -6.915 -10.083
  850   2HB   TYR 110          HB3       TYR 110  -6.027  -7.549 -11.187
  851    HD1  TYR 110           HD1      TYR 110  -8.244  -6.428 -11.436
  852    HD2  TYR 110           HD2      TYR 110  -5.122  -4.791  -8.950
  853    HE1  TYR 110           HE1      TYR 110  -9.414  -4.241 -11.413
  854    HE2  TYR 110           HE2      TYR 110  -6.280  -2.603  -8.915
  855    HH   TYR 110           HH       TYR 110  -8.133  -1.385  -9.641
  856    H    VAL 111           H        VAL 111  -5.646  -9.642 -11.082
  857    HA   VAL 111           HA       VAL 111  -3.553 -10.951  -9.465
  858    HB   VAL 111           HB       VAL 111  -5.250 -12.599 -11.355
  859   1HG1  VAL 111          HG11      VAL 111  -2.900 -13.301 -11.247
  860   2HG1  VAL 111          HG12      VAL 111  -2.895 -13.173  -9.499
  861   3HG1  VAL 111          HG13      VAL 111  -3.870 -14.441 -10.290
  862   1HG2  VAL 111          HG21      VAL 111  -5.916 -13.766  -9.205
  863   2HG2  VAL 111          HG22      VAL 111  -5.247 -12.376  -8.333
  864   3HG2  VAL 111          HG23      VAL 111  -6.620 -12.156  -9.432
  865    HA   PRO 112           HA       PRO 112  -1.767 -10.736 -13.788
  866   1HB   PRO 112          HB2       PRO 112  -3.023  -9.541 -15.883
  867   2HB   PRO 112          HB3       PRO 112  -3.213 -11.274 -15.474
  868   1HG   PRO 112          HG2       PRO 112  -5.062  -8.978 -14.746
  869   2HG   PRO 112          HG3       PRO 112  -5.496 -10.575 -15.434
  870   1HD   PRO 112          HD2       PRO 112  -5.658 -10.034 -12.771
  871   2HD   PRO 112          HD3       PRO 112  -5.210 -11.650 -13.381
  872    H    ALA 113           H        ALA 113  -0.855  -9.422 -12.168
  873    HA   ALA 113           HA       ALA 113  -1.268  -6.448 -12.476
  874   1HB   ALA 113          HB1       ALA 113  -1.005  -8.057  -9.904
  875   2HB   ALA 113          HB2       ALA 113  -1.249  -6.302 -10.036
  876   3HB   ALA 113          HB3       ALA 113  -2.528  -7.420 -10.549
  877    H    TYR 114           H        TYR 114   0.540  -5.084 -11.956
  878    HA   TYR 114           HA       TYR 114   3.138  -6.486 -11.725
  879   1HB   TYR 114          HB2       TYR 114   3.591  -4.838 -13.845
  880   2HB   TYR 114          HB3       TYR 114   3.257  -6.549 -13.943
  881    HD1  TYR 114           HD1      TYR 114   1.055  -7.424 -14.641
  882    HD2  TYR 114           HD2      TYR 114   1.867  -3.194 -14.567
  883    HE1  TYR 114           HE1      TYR 114  -0.989  -7.012 -15.978
  884    HE2  TYR 114           HE2      TYR 114  -0.058  -2.812 -16.099
  885    HH   TYR 114           HH       TYR 114  -1.818  -3.713 -17.176
  886    H    TYR 115           H        TYR 115   4.785  -5.313 -11.020
  887    HA   TYR 115           HA       TYR 115   4.311  -2.542 -10.058
  888   1HB   TYR 115          HB2       TYR 115   5.361  -4.901  -8.429
  889   2HB   TYR 115          HB3       TYR 115   5.102  -3.254  -7.858
  890    HD1  TYR 115           HD1      TYR 115   3.372  -6.328  -9.121
  891    HD2  TYR 115           HD2      TYR 115   2.978  -2.669  -6.863
  892    HE1  TYR 115           HE1      TYR 115   0.985  -6.830  -8.735
  893    HE2  TYR 115           HE2      TYR 115   0.599  -3.255  -6.361
  894    HH   TYR 115           HH       TYR 115  -1.185  -4.466  -7.097
  895    H    VAL 116           H        VAL 116   6.092  -1.310 -10.388
  896    HA   VAL 116           HA       VAL 116   8.558  -2.624 -11.413
  897    HB   VAL 116           HB       VAL 116   7.536   0.078 -12.331
  898   1HG1  VAL 116          HG11      VAL 116   9.862  -0.615 -12.867
  899   2HG1  VAL 116          HG12      VAL 116   9.234  -2.050 -13.705
  900   3HG1  VAL 116          HG13      VAL 116   8.871  -0.421 -14.320
  901   1HG2  VAL 116          HG21      VAL 116   5.621  -1.336 -12.886
  902   2HG2  VAL 116          HG22      VAL 116   6.505  -0.951 -14.354
  903   3HG2  VAL 116          HG23      VAL 116   6.692  -2.556 -13.609
  904    H    PHE 117           H        PHE 117  10.422  -1.888 -10.435
  905    HA   PHE 117           HA       PHE 117  10.177   0.281  -8.396
  906   1HB   PHE 117          HB2       PHE 117  11.577  -2.405  -8.085
  907   2HB   PHE 117          HB3       PHE 117  11.468  -1.135  -6.884
  908    HD1  PHE 117           HD1      PHE 117   9.453  -0.874  -5.501
  909    HD2  PHE 117           HD2      PHE 117   9.570  -3.787  -8.676
  910    HE1  PHE 117           HE1      PHE 117   7.422  -1.928  -4.598
  911    HE2  PHE 117           HE2      PHE 117   7.546  -4.860  -7.749
  912    HZ   PHE 117           HZ       PHE 117   6.458  -3.942  -5.709
  913    H    ASP 118           H        ASP 118  12.023   1.495  -8.112
  914    HA   ASP 118           HA       ASP 118  14.016   1.576 -10.225
  915   1HB   ASP 118          HB2       ASP 118  13.184   3.548  -8.874
  916   2HB   ASP 118          HB3       ASP 118  14.039   2.862  -7.481
  917    H    LYS 119           H        LYS 119  16.386   1.606  -9.458
  918    HA   LYS 119           HA       LYS 119  17.177  -1.053  -8.694
  919   1HB   LYS 119          HB2       LYS 119  19.453  -0.163  -8.921
  920   2HB   LYS 119          HB3       LYS 119  18.440   0.195 -10.306
  921   1HG   LYS 119          HG2       LYS 119  18.605   2.420 -10.061
  922   2HG   LYS 119          HG3       LYS 119  18.400   2.386  -8.311
  923   1HD   LYS 119          HD2       LYS 119  21.012   1.635  -9.696
  924   2HD   LYS 119          HD3       LYS 119  20.597   3.273  -9.153
  925   1HE   LYS 119          HE2       LYS 119  20.259   2.442  -6.832
  926   2HE   LYS 119          HE3       LYS 119  20.712   0.816  -7.337
  927   1HZ   LYS 119          HZ1       LYS 119  22.565   1.958  -6.337
  928   2HZ   LYS 119          HZ2       LYS 119  22.922   1.691  -7.896
  929   3HZ   LYS 119          HZ3       LYS 119  22.489   3.192  -7.401
  930    H    THR 120           H        THR 120  15.846   0.800  -6.552
  931    HA   THR 120           HA       THR 120  17.648   0.021  -4.346
  932    HB   THR 120           HB       THR 120  17.891   2.431  -4.957
  933    HG1  THR 120           HG1      THR 120  18.443   1.846  -2.912
  934   1HG2  THR 120          HG21      THR 120  16.133   4.000  -4.286
  935   2HG2  THR 120          HG22      THR 120  15.569   2.912  -5.565
  936   3HG2  THR 120          HG23      THR 120  15.057   2.642  -3.881
  937    H    GLY 121           H        GLY 121  14.756  -0.606  -5.832
  938   1HA   GLY 121          HA2       GLY 121  13.002  -1.869  -5.117
  939   2HA   GLY 121          HA3       GLY 121  13.731  -1.957  -3.504
  940    H    GLN 122           H        GLN 122  12.969   1.126  -5.059
  941    HA   GLN 122           HA       GLN 122  10.735   1.512  -3.147
  942   1HB   GLN 122          HB2       GLN 122  11.040   3.812  -3.162
  943   2HB   GLN 122          HB3       GLN 122  12.617   3.107  -2.904
  944   1HG   GLN 122          HG2       GLN 122  13.193   4.761  -4.360
  945   2HG   GLN 122          HG3       GLN 122  12.885   3.493  -5.538
  946   1HE2  GLN 122          HE22      GLN 122  10.944   3.674  -6.854
  947   2HE2  GLN 122          HE21      GLN 122   9.876   5.047  -6.771
  948    H    LEU 123           H        LEU 123   8.753   1.830  -3.991
  949    HA   LEU 123           HA       LEU 123   8.258   0.685  -6.528
  950   1HB   LEU 123          HB2       LEU 123   6.730   0.552  -4.558
  951   2HB   LEU 123          HB3       LEU 123   6.438   2.290  -4.676
  952    HG   LEU 123           HG       LEU 123   5.472   1.976  -6.931
  953   1HD1  LEU 123          HD11      LEU 123   5.612  -1.026  -6.306
  954   2HD1  LEU 123          HD12      LEU 123   4.928  -0.290  -7.768
  955   3HD1  LEU 123          HD13      LEU 123   6.670  -0.258  -7.480
  956   1HD2  LEU 123          HD21      LEU 123   3.912   2.063  -5.137
  957   2HD2  LEU 123          HD22      LEU 123   3.384   0.742  -6.178
  958   3HD2  LEU 123          HD23      LEU 123   4.258   0.397  -4.667
  959    H    ARG 124           H        ARG 124   8.056   1.520  -8.517
  960    HA   ARG 124           HA       ARG 124   8.327   4.470  -8.736
  961   1HB   ARG 124          HB2       ARG 124  10.365   3.091  -9.196
  962   2HB   ARG 124          HB3       ARG 124   9.502   2.283 -10.496
  963   1HG   ARG 124          HG2       ARG 124  11.043   3.918 -11.344
  964   2HG   ARG 124          HG3       ARG 124   9.398   4.383 -11.774
  965   1HD   ARG 124          HD2       ARG 124  10.945   5.564  -9.425
  966   2HD   ARG 124          HD3       ARG 124  10.973   6.252 -11.051
  967    HE   ARG 124           HE       ARG 124   8.425   6.341 -10.836
  968   1HH1  ARG 124          HH21      ARG 124  10.585   6.975  -8.074
  969   2HH1  ARG 124          HH22      ARG 124   9.339   7.691  -7.116
  970   1HH2  ARG 124          HH11      ARG 124   6.840   7.366  -9.600
  971   2HH2  ARG 124          HH12      ARG 124   7.146   7.760  -7.936
  972    H    HIS 125           H        HIS 125   6.685   1.572 -10.111
  973    HA   HIS 125           HA       HIS 125   4.505   3.320 -10.896
  974   1HB   HIS 125          HB2       HIS 125   6.189   3.237 -12.864
  975   2HB   HIS 125          HB3       HIS 125   5.799   1.525 -12.992
  976    HD1  HIS 125           HD1      HIS 125   4.219   4.999 -13.518
  977    HD2  HIS 125           HD2      HIS 125   3.445   0.899 -14.014
  978    HE1  HIS 125           HE1      HIS 125   2.132   4.851 -14.966
  979    H    PHE 126           H        PHE 126   2.504   1.948 -11.064
  980    HA   PHE 126           HA       PHE 126   2.822  -0.914 -11.109
  981   1HB   PHE 126          HB2       PHE 126   2.573  -1.446  -9.003
  982   2HB   PHE 126          HB3       PHE 126   2.601   0.235  -8.506
  983    HD1  PHE 126           HD1      PHE 126   0.588   1.290  -7.658
  984    HD2  PHE 126           HD2      PHE 126   0.372  -2.596  -9.526
  985    HE1  PHE 126           HE1      PHE 126  -1.774   1.060  -6.930
  986    HE2  PHE 126           HE2      PHE 126  -2.000  -2.795  -8.853
  987    HZ   PHE 126           HZ       PHE 126  -3.077  -0.973  -7.531
  988    H    GLN 127           H        GLN 127   0.929  -1.956 -11.730
  989    HA   GLN 127           HA       GLN 127  -1.566  -0.521 -12.260
  990   1HB   GLN 127          HB2       GLN 127   0.281  -1.518 -14.432
  991   2HB   GLN 127          HB3       GLN 127  -1.400  -1.078 -14.734
  992   1HG   GLN 127          HG2       GLN 127   0.777   0.861 -13.840
  993   2HG   GLN 127          HG3       GLN 127   0.350   0.556 -15.492
  994   1HE2  GLN 127          HE22      GLN 127  -0.978   1.829 -12.424
  995   2HE2  GLN 127          HE21      GLN 127  -2.204   2.840 -13.179
  996    H    ALA 128           H        ALA 128  -3.000  -2.172 -13.644
  997    HA   ALA 128           HA       ALA 128  -2.183  -4.931 -13.677
  998   1HB   ALA 128          HB1       ALA 128  -4.438  -4.061 -11.812
  999   2HB   ALA 128          HB2       ALA 128  -3.957  -5.742 -12.154
 1000   3HB   ALA 128          HB3       ALA 128  -2.858  -4.656 -11.270
 1001    H    GLY 129           H        GLY 129  -3.822  -6.277 -14.694
 1002   1HA   GLY 129          HA2       GLY 129  -5.465  -6.813 -16.154
 1003   2HA   GLY 129          HA3       GLY 129  -6.433  -5.632 -15.271
 1004    H    GLY 130           H        GLY 130  -3.625  -4.885 -17.380
 1005   1HA   GLY 130          HA2       GLY 130  -5.290  -3.107 -19.058
 1006   2HA   GLY 130          HA3       GLY 130  -3.534  -3.284 -19.101
 1007    H    SER 131           H        SER 131  -4.909  -3.256 -21.486
 1008    HA   SER 131           HA       SER 131  -5.915  -5.602 -22.538
 1009   1HB   SER 131          HB2       SER 131  -4.302  -3.496 -24.025
 1010   2HB   SER 131          HB3       SER 131  -5.567  -4.552 -24.684
 1011    HG   SER 131           HG       SER 131  -6.345  -2.448 -24.193
 1012    H    GLY 132           H        GLY 132  -4.889  -7.519 -22.231
 1013   1HA   GLY 132          HA2       GLY 132  -3.317  -9.148 -22.132
 1014   2HA   GLY 132          HA3       GLY 132  -2.674  -8.495 -23.651
 1015    H    MET 133           H        MET 133  -2.791  -6.611 -20.694
 1016    HA   MET 133           HA       MET 133  -1.282  -5.171 -19.936
 1017   1HB   MET 133          HB2       MET 133   0.320  -6.086 -18.448
 1018   2HB   MET 133          HB3       MET 133  -1.207  -6.965 -18.351
 1019   1HG   MET 133          HG2       MET 133  -0.266  -8.882 -19.459
 1020   2HG   MET 133          HG3       MET 133   1.182  -7.973 -19.904
 1021   1HE   MET 133          HE1       MET 133   3.201  -8.180 -18.909
 1022   2HE   MET 133          HE2       MET 133   3.587  -9.026 -17.385
 1023   3HE   MET 133          HE3       MET 133   2.878  -9.925 -18.733
 1024    H    LYS 134           H        LYS 134  -0.832  -5.515 -22.866
 1025    HA   LYS 134           HA       LYS 134   1.951  -5.821 -23.366
 1026   1HB   LYS 134          HB2       LYS 134   0.162  -5.983 -25.079
 1027   2HB   LYS 134          HB3       LYS 134  -0.091  -4.242 -24.980
 1028   1HG   LYS 134          HG2       LYS 134   1.251  -4.871 -26.932
 1029   2HG   LYS 134          HG3       LYS 134   2.164  -3.820 -25.851
 1030   1HD   LYS 134          HD2       LYS 134   3.478  -5.731 -25.018
 1031   2HD   LYS 134          HD3       LYS 134   2.419  -6.859 -25.876
 1032   1HE   LYS 134          HE2       LYS 134   4.420  -6.681 -27.151
 1033   2HE   LYS 134          HE3       LYS 134   3.145  -5.844 -28.047
 1034   1HZ   LYS 134          HZ1       LYS 134   5.090  -4.525 -28.096
 1035   2HZ   LYS 134          HZ2       LYS 134   4.104  -3.747 -27.053
 1036   3HZ   LYS 134          HZ3       LYS 134   5.376  -4.659 -26.503
 1037    H    MET 135           H        MET 135   0.089  -2.934 -22.554
 1038    HA   MET 135           HA       MET 135   2.088  -0.968 -22.812
 1039   1HB   MET 135          HB2       MET 135   0.712   0.257 -21.076
 1040   2HB   MET 135          HB3       MET 135  -0.185  -0.324 -22.467
 1041   1HG   MET 135          HG2       MET 135  -1.614  -1.408 -21.175
 1042   2HG   MET 135          HG3       MET 135  -0.345  -2.406 -20.494
 1043   1HE   MET 135          HE1       MET 135   0.833  -2.075 -18.277
 1044   2HE   MET 135          HE2       MET 135   1.418  -0.447 -18.713
 1045   3HE   MET 135          HE3       MET 135   0.583  -0.710 -17.175
 1046    H    LEU 136           H        LEU 136   2.122  -3.585 -20.484
 1047    HA   LEU 136           HA       LEU 136   3.520  -2.178 -18.399
 1048   1HB   LEU 136          HB2       LEU 136   2.483  -4.363 -17.986
 1049   2HB   LEU 136          HB3       LEU 136   3.526  -5.114 -19.203
 1050    HG   LEU 136           HG       LEU 136   5.528  -4.654 -17.843
 1051   1HD1  LEU 136          HD11      LEU 136   4.951  -2.615 -16.665
 1052   2HD1  LEU 136          HD12      LEU 136   3.608  -3.413 -15.857
 1053   3HD1  LEU 136          HD13      LEU 136   5.278  -3.880 -15.482
 1054   1HD2  LEU 136          HD21      LEU 136   4.414  -6.747 -17.590
 1055   2HD2  LEU 136          HD22      LEU 136   4.971  -6.232 -16.002
 1056   3HD2  LEU 136          HD23      LEU 136   3.254  -6.083 -16.444
 1057    H    GLU 137           H        GLU 137   4.500  -3.834 -21.427
 1058    HA   GLU 137           HA       GLU 137   7.271  -3.827 -21.048
 1059   1HB   GLU 137          HB2       GLU 137   5.888  -4.811 -22.985
 1060   2HB   GLU 137          HB3       GLU 137   5.895  -3.159 -23.686
 1061   1HG   GLU 137          HG2       GLU 137   8.329  -3.161 -23.771
 1062   2HG   GLU 137          HG3       GLU 137   8.416  -4.659 -22.836
 1063    H    LYS 138           H        LYS 138   5.067  -1.151 -21.956
 1064    HA   LYS 138           HA       LYS 138   7.305   0.641 -22.556
 1065   1HB   LYS 138          HB2       LYS 138   4.307   1.025 -22.306
 1066   2HB   LYS 138          HB3       LYS 138   5.422   2.395 -22.478
 1067   1HG   LYS 138          HG2       LYS 138   6.342   1.553 -24.517
 1068   2HG   LYS 138          HG3       LYS 138   5.520  -0.020 -24.345
 1069   1HD   LYS 138          HD2       LYS 138   4.336   1.239 -26.019
 1070   2HD   LYS 138          HD3       LYS 138   3.327   1.091 -24.587
 1071   1HE   LYS 138          HE2       LYS 138   3.042   3.313 -25.387
 1072   2HE   LYS 138          HE3       LYS 138   4.003   3.432 -23.915
 1073   1HZ   LYS 138          HZ1       LYS 138   5.063   3.555 -26.688
 1074   2HZ   LYS 138          HZ2       LYS 138   4.879   4.824 -25.689
 1075   3HZ   LYS 138          HZ3       LYS 138   5.982   3.677 -25.340
 1076    H    ARG 139           H        ARG 139   5.204   0.081 -19.661
 1077    HA   ARG 139           HA       ARG 139   6.297   2.409 -18.330
 1078   1HB   ARG 139          HB2       ARG 139   5.317  -0.071 -16.861
 1079   2HB   ARG 139          HB3       ARG 139   5.332   1.596 -16.296
 1080   1HG   ARG 139          HG2       ARG 139   3.526   0.368 -18.395
 1081   2HG   ARG 139          HG3       ARG 139   3.066   0.862 -16.778
 1082   1HD   ARG 139          HD2       ARG 139   3.321   3.222 -17.342
 1083   2HD   ARG 139          HD3       ARG 139   4.136   2.829 -18.854
 1084    HE   ARG 139           HE       ARG 139   2.197   2.474 -19.921
 1085   1HH1  ARG 139          HH21      ARG 139   1.411   2.652 -16.450
 1086   2HH1  ARG 139          HH22      ARG 139  -0.304   2.683 -16.715
 1087   1HH2  ARG 139          HH11      ARG 139  -0.066   2.702 -20.251
 1088   2HH2  ARG 139          HH12      ARG 139  -1.137   2.773 -18.908
 1089    H    VAL 140           H        VAL 140   7.277  -1.004 -18.475
 1090    HA   VAL 140           HA       VAL 140   9.424  -0.858 -16.572
 1091    HB   VAL 140           HB       VAL 140   8.912  -2.572 -19.033
 1092   1HG1  VAL 140          HG11      VAL 140  10.919  -3.060 -16.809
 1093   2HG1  VAL 140          HG12      VAL 140  10.455  -4.213 -18.088
 1094   3HG1  VAL 140          HG13      VAL 140  11.285  -2.718 -18.516
 1095   1HG2  VAL 140          HG21      VAL 140   7.248  -2.722 -17.028
 1096   2HG2  VAL 140          HG22      VAL 140   8.022  -4.232 -17.481
 1097   3HG2  VAL 140          HG23      VAL 140   8.600  -3.312 -16.069
 1098    H    ASN 141           H        ASN 141   9.194  -0.500 -20.201
 1099    HA   ASN 141           HA       ASN 141  11.958  -0.121 -20.344
 1100   1HB   ASN 141          HB2       ASN 141   9.774   0.487 -22.333
 1101   2HB   ASN 141          HB3       ASN 141  11.363   1.226 -22.553
 1102   1HD2  ASN 141          HD22      ASN 141   9.755  -1.957 -22.278
 1103   2HD2  ASN 141          HD21      ASN 141  11.024  -2.827 -23.136
 1104    H    ARG 142           H        ARG 142   9.359   2.234 -19.697
 1105    HA   ARG 142           HA       ARG 142  10.999   4.552 -20.083
 1106   1HB   ARG 142          HB2       ARG 142   8.513   4.076 -18.424
 1107   2HB   ARG 142          HB3       ARG 142   9.263   5.643 -18.633
 1108   1HG   ARG 142          HG2       ARG 142   7.262   4.512 -20.169
 1109   2HG   ARG 142          HG3       ARG 142   8.121   6.015 -20.457
 1110   1HD   ARG 142          HD2       ARG 142   8.889   3.353 -21.717
 1111   2HD   ARG 142          HD3       ARG 142   7.804   4.482 -22.448
 1112    HE   ARG 142           HE       ARG 142  10.683   4.610 -22.345
 1113   1HH1  ARG 142          HH21      ARG 142   7.805   6.670 -22.660
 1114   2HH1  ARG 142          HH22      ARG 142   8.639   7.947 -23.464
 1115   1HH2  ARG 142          HH11      ARG 142  11.795   6.327 -23.394
 1116   2HH2  ARG 142          HH12      ARG 142  10.952   7.742 -23.883
 1117    H    VAL 143           H        VAL 143  10.417   2.479 -17.182
 1118    HA   VAL 143           HA       VAL 143  12.138   4.035 -15.496
 1119    HB   VAL 143           HB       VAL 143  11.395   1.096 -15.430
 1120   1HG1  VAL 143          HG11      VAL 143  13.469   1.396 -14.146
 1121   2HG1  VAL 143          HG12      VAL 143  12.763   2.773 -13.277
 1122   3HG1  VAL 143          HG13      VAL 143  12.114   1.133 -13.048
 1123   1HG2  VAL 143          HG21      VAL 143   9.881   1.847 -13.575
 1124   2HG2  VAL 143          HG22      VAL 143  10.363   3.526 -13.893
 1125   3HG2  VAL 143          HG23      VAL 143   9.466   2.609 -15.109
 1126    H    LEU 144           H        LEU 144  12.834   1.481 -17.947
 1127    HA   LEU 144           HA       LEU 144  15.631   1.248 -17.229
 1128   1HB   LEU 144          HB2       LEU 144  14.362   0.786 -19.973
 1129   2HB   LEU 144          HB3       LEU 144  15.975   0.320 -19.474
 1130    HG   LEU 144           HG       LEU 144  13.362  -0.848 -18.471
 1131   1HD1  LEU 144          HD11      LEU 144  14.173  -2.899 -19.513
 1132   2HD1  LEU 144          HD12      LEU 144  14.095  -1.586 -20.700
 1133   3HD1  LEU 144          HD13      LEU 144  15.663  -2.075 -20.027
 1134   1HD2  LEU 144          HD21      LEU 144  16.198  -1.395 -17.527
 1135   2HD2  LEU 144          HD22      LEU 144  14.827  -0.760 -16.580
 1136   3HD2  LEU 144          HD23      LEU 144  14.789  -2.419 -17.167
 1137    H    ALA 145           H        ALA 145  13.829   3.188 -19.584
 1138    HA   ALA 145           HA       ALA 145  16.031   4.411 -20.837
 1139   1HB   ALA 145          HB1       ALA 145  13.156   5.402 -20.504
 1140   2HB   ALA 145          HB2       ALA 145  14.325   6.003 -21.702
 1141   3HB   ALA 145          HB3       ALA 145  13.744   4.324 -21.783
 1142    H    GLU 146           H        GLU 146  14.100   5.369 -18.015
 1143    HA   GLU 146           HA       GLU 146  15.375   7.890 -17.505
 1144   1HB   GLU 146          HB2       GLU 146  13.678   5.882 -16.000
 1145   2HB   GLU 146          HB3       GLU 146  14.360   7.266 -15.134
 1146   1HG   GLU 146          HG2       GLU 146  12.596   7.506 -17.616
 1147   2HG   GLU 146          HG3       GLU 146  12.005   7.591 -15.961
 1148    H    THR 147           H        THR 147  16.063   4.515 -16.478
 1149    HA   THR 147           HA       THR 147  17.924   5.303 -14.470
 1150    HB   THR 147           HB       THR 147  17.384   2.622 -15.765
 1151    HG1  THR 147           HG1      THR 147  15.609   3.298 -14.719
 1152   1HG2  THR 147          HG21      THR 147  18.397   1.662 -13.693
 1153   2HG2  THR 147          HG22      THR 147  19.552   2.525 -14.712
 1154   3HG2  THR 147          HG23      THR 147  18.933   3.293 -13.228
 1155    H    GLU 148           H        GLU 148  18.286   3.847 -17.413
 1156    HA   GLU 148           HA       GLU 148  21.248   3.991 -17.405
 1157   1HB   GLU 148          HB2       GLU 148  19.413   2.438 -19.274
 1158   2HB   GLU 148          HB3       GLU 148  21.179   2.343 -19.199
 1159   1HG   GLU 148          HG2       GLU 148  20.943   1.629 -16.773
 1160   2HG   GLU 148          HG3       GLU 148  19.201   1.504 -17.034
  Start of MODEL    4
    1   1H    MET   1           H1       MET   1  -1.060   0.674  -2.576
    2   2H    MET   1           H2       MET   1  -0.493  -0.370  -1.442
    3   3H    MET   1           H3       MET   1  -0.498   1.239  -1.148
    4    HA   MET   1           HA       MET   1   1.745   0.532  -1.661
    5   1HB   MET   1          HB2       MET   1   0.460  -0.539  -4.186
    6   2HB   MET   1          HB3       MET   1   2.165  -0.113  -4.082
    7   1HG   MET   1          HG2       MET   1   0.740  -2.144  -2.357
    8   2HG   MET   1          HG3       MET   1   1.895  -2.474  -3.643
    9   1HE   MET   1          HE1       MET   1   5.348  -1.694  -1.997
   10   2HE   MET   1          HE2       MET   1   4.469  -2.188  -3.455
   11   3HE   MET   1          HE3       MET   1   4.478  -0.468  -2.957
   12    H    LYS   2           H        LYS   2   2.094   2.701  -1.306
   13    HA   LYS   2           HA       LYS   2   1.395   4.742  -3.289
   14   1HB   LYS   2          HB2       LYS   2   3.489   4.716  -1.054
   15   2HB   LYS   2          HB3       LYS   2   3.079   6.117  -2.050
   16   1HG   LYS   2          HG2       LYS   2   0.743   6.038  -1.229
   17   2HG   LYS   2          HG3       LYS   2   1.154   4.657  -0.191
   18   1HD   LYS   2          HD2       LYS   2   2.822   6.047   1.009
   19   2HD   LYS   2          HD3       LYS   2   2.405   7.435  -0.023
   20   1HE   LYS   2          HE2       LYS   2   0.057   7.328   0.790
   21   2HE   LYS   2          HE3       LYS   2   0.472   5.951   1.818
   22   1HZ   LYS   2          HZ1       LYS   2   1.992   7.404   3.035
   23   2HZ   LYS   2          HZ2       LYS   2   1.606   8.677   2.083
   24   3HZ   LYS   2          HZ3       LYS   2   0.485   8.017   3.059
   25    H    LEU   3           H        LEU   3   2.801   5.587  -4.877
   26    HA   LEU   3           HA       LEU   3   4.851   3.801  -5.957
   27   1HB   LEU   3          HB2       LEU   3   3.989   6.578  -6.869
   28   2HB   LEU   3          HB3       LEU   3   5.027   5.455  -7.744
   29    HG   LEU   3           HG       LEU   3   2.056   5.171  -7.161
   30   1HD1  LEU   3          HD11      LEU   3   3.636   5.318  -9.760
   31   2HD1  LEU   3          HD12      LEU   3   1.871   5.132  -9.617
   32   3HD1  LEU   3          HD13      LEU   3   2.656   6.612  -9.048
   33   1HD2  LEU   3          HD21      LEU   3   2.205   3.021  -8.498
   34   2HD2  LEU   3          HD22      LEU   3   3.969   3.073  -8.240
   35   3HD2  LEU   3          HD23      LEU   3   2.858   2.946  -6.862
   36    H    ARG   4           H        ARG   4   5.788   4.036  -3.738
   37    HA   ARG   4           HA       ARG   4   8.115   5.745  -3.529
   38   1HB   ARG   4          HB2       ARG   4   6.338   7.331  -2.906
   39   2HB   ARG   4          HB3       ARG   4   5.623   6.146  -1.816
   40   1HG   ARG   4          HG2       ARG   4   6.828   7.777  -0.542
   41   2HG   ARG   4          HG3       ARG   4   7.573   6.186  -0.406
   42   1HD   ARG   4          HD2       ARG   4   9.284   7.953  -0.567
   43   2HD   ARG   4          HD3       ARG   4   9.374   6.846  -1.942
   44    HE   ARG   4           HE       ARG   4   7.710   9.177  -2.450
   45   1HH1  ARG   4          HH11      ARG   4  11.080   8.067  -2.418
   46   2HH1  ARG   4          HH12      ARG   4  11.624   9.223  -3.575
   47   1HH2  ARG   4          HH21      ARG   4   8.428  10.717  -3.999
   48   2HH2  ARG   4          HH22      ARG   4  10.079  10.771  -4.483
   49    H    GLN   5           H        GLN   5   5.820   3.277  -2.172
   50    HA   GLN   5           HA       GLN   5   7.242   2.777   0.219
   51   1HB   GLN   5          HB2       GLN   5   5.178   1.336  -1.471
   52   2HB   GLN   5          HB3       GLN   5   5.988   0.435  -0.204
   53   1HG   GLN   5          HG2       GLN   5   5.225   1.974   1.516
   54   2HG   GLN   5          HG3       GLN   5   4.438   2.988   0.293
   55   1HE2  GLN   5          HE22      GLN   5   4.547  -0.550   1.241
   56   2HE2  GLN   5          HE21      GLN   5   2.878  -0.840   0.897
   57    HA   PRO   6           HA       PRO   6  10.333  -0.226  -1.283
   58   1HB   PRO   6          HB2       PRO   6  10.722  -1.733   0.961
   59   2HB   PRO   6          HB3       PRO   6  11.344  -0.062   0.838
   60   1HG   PRO   6          HG2       PRO   6   8.787  -1.005   2.165
   61   2HG   PRO   6          HG3       PRO   6  10.031   0.107   2.822
   62   1HD   PRO   6          HD2       PRO   6   7.727   0.995   1.635
   63   2HD   PRO   6          HD3       PRO   6   9.269   1.892   1.488
   64    H    MET   7           H        MET   7  10.316  -2.715  -1.494
   65    HA   MET   7           HA       MET   7   7.768  -3.804  -2.117
   66   1HB   MET   7          HB2       MET   7  10.462  -4.965  -1.446
   67   2HB   MET   7          HB3       MET   7   9.084  -6.062  -1.609
   68   1HG   MET   7          HG2       MET   7   8.771  -5.565  -3.867
   69   2HG   MET   7          HG3       MET   7   9.715  -4.079  -3.773
   70   1HE   MET   7          HE1       MET   7  13.274  -4.847  -4.029
   71   2HE   MET   7          HE2       MET   7  11.912  -3.688  -4.025
   72   3HE   MET   7          HE3       MET   7  12.384  -4.512  -2.524
   73    HA   PRO   8           HA       PRO   8   6.196  -4.654   2.010
   74   1HB   PRO   8          HB2       PRO   8   4.247  -6.479   1.530
   75   2HB   PRO   8          HB3       PRO   8   4.165  -4.840   0.819
   76   1HG   PRO   8          HG2       PRO   8   5.266  -7.367  -0.466
   77   2HG   PRO   8          HG3       PRO   8   4.008  -6.276  -1.119
   78   1HD   PRO   8          HD2       PRO   8   6.612  -5.998  -1.837
   79   2HD   PRO   8          HD3       PRO   8   5.568  -4.564  -1.584
   80    H    GLU   9           H        GLU   9   5.449  -6.956   3.223
   81    HA   GLU   9           HA       GLU   9   7.865  -8.536   3.606
   82   1HB   GLU   9          HB2       GLU   9   4.976  -8.791   4.574
   83   2HB   GLU   9          HB3       GLU   9   6.229  -9.999   4.911
   84   1HG   GLU   9          HG2       GLU   9   7.611  -8.348   6.034
   85   2HG   GLU   9          HG3       GLU   9   6.430  -7.074   5.701
   86    H    LEU  10           H        LEU  10   8.404 -10.259   2.362
   87    HA   LEU  10           HA       LEU  10   6.598 -10.883   0.131
   88   1HB   LEU  10          HB2       LEU  10   9.493 -11.707   0.580
   89   2HB   LEU  10          HB3       LEU  10   8.527 -12.010  -0.871
   90    HG   LEU  10           HG       LEU  10   9.267  -9.243   0.162
   91   1HD1  LEU  10          HD11      LEU  10  10.813  -9.194  -1.807
   92   2HD1  LEU  10          HD12      LEU  10  11.259 -10.364  -0.573
   93   3HD1  LEU  10          HD13      LEU  10  10.469 -10.918  -2.078
   94   1HD2  LEU  10          HD21      LEU  10   8.486  -8.470  -2.059
   95   2HD2  LEU  10          HD22      LEU  10   7.920 -10.117  -2.425
   96   3HD2  LEU  10          HD23      LEU  10   7.181  -9.182  -1.103
   97    H    THR  11           H        THR  11   5.204 -11.794   1.878
   98    HA   THR  11           HA       THR  11   5.885 -14.293   3.155
   99    HB   THR  11           HB       THR  11   3.303 -14.241   3.503
  100    HG1  THR  11           HG1      THR  11   2.945 -12.735   1.749
  101   1HG2  THR  11          HG21      THR  11   4.958 -11.867   4.481
  102   2HG2  THR  11          HG22      THR  11   3.452 -12.481   5.198
  103   3HG2  THR  11          HG23      THR  11   4.915 -13.479   5.227
  104    H    GLY  12           H        GLY  12   5.154 -16.429   2.626
  105   1HA   GLY  12          HA2       GLY  12   3.366 -17.285   0.747
  106   2HA   GLY  12          HA3       GLY  12   4.841 -17.023  -0.203
  107    H    GLU  13           H        GLU  13   3.230 -19.117   2.067
  108    HA   GLU  13           HA       GLU  13   5.480 -20.261   3.339
  109   1HB   GLU  13          HB2       GLU  13   2.623 -21.220   2.941
  110   2HB   GLU  13          HB3       GLU  13   3.809 -22.134   3.878
  111   1HG   GLU  13          HG2       GLU  13   4.188 -20.209   5.369
  112   2HG   GLU  13          HG3       GLU  13   3.016 -19.252   4.470
  113    H    LYS  14           H        LYS  14   4.310 -20.911   0.109
  114    HA   LYS  14           HA       LYS  14   6.234 -23.205  -0.053
  115   1HB   LYS  14          HB2       LYS  14   3.637 -23.625  -0.313
  116   2HB   LYS  14          HB3       LYS  14   3.874 -22.930  -1.912
  117   1HG   LYS  14          HG2       LYS  14   5.987 -24.829  -1.616
  118   2HG   LYS  14          HG3       LYS  14   4.625 -25.564  -0.798
  119   1HD   LYS  14          HD2       LYS  14   4.574 -26.352  -3.046
  120   2HD   LYS  14          HD3       LYS  14   3.240 -25.212  -2.878
  121   1HE   LYS  14          HE2       LYS  14   4.335 -24.811  -5.014
  122   2HE   LYS  14          HE3       LYS  14   4.646 -23.437  -3.932
  123   1HZ   LYS  14          HZ1       LYS  14   6.606 -25.627  -4.346
  124   2HZ   LYS  14          HZ2       LYS  14   6.658 -24.189  -5.137
  125   3HZ   LYS  14          HZ3       LYS  14   6.818 -24.191  -3.549
  126    H    ALA  15           H        ALA  15   6.623 -20.213  -0.465
  127    HA   ALA  15           HA       ALA  15   6.342 -19.365  -2.972
  128   1HB   ALA  15          HB1       ALA  15   8.201 -17.778  -2.570
  129   2HB   ALA  15          HB2       ALA  15   7.037 -17.896  -1.240
  130   3HB   ALA  15          HB3       ALA  15   8.622 -18.701  -1.110
  131    H    TRP  16           H        TRP  16   9.130 -21.513  -2.195
  132    HA   TRP  16           HA       TRP  16  10.680 -20.784  -4.424
  133   1HB   TRP  16          HB2       TRP  16  10.445 -23.461  -3.004
  134   2HB   TRP  16          HB3       TRP  16  11.545 -23.160  -4.343
  135    HD1  TRP  16           HD1      TRP  16  11.040 -21.952  -0.704
  136    HE1  TRP  16           HE1      TRP  16  13.302 -21.247   0.226
  137    HE3  TRP  16           HE3      TRP  16  13.836 -22.483  -4.955
  138    HZ2  TRP  16           HZ2      TRP  16  16.030 -20.954  -0.749
  139    HZ3  TRP  16           HZ3      TRP  16  16.275 -21.997  -4.923
  140    HH2  TRP  16           HH2      TRP  16  17.375 -21.226  -2.832
  141    H    LEU  17           H        LEU  17  10.440 -20.994  -6.538
  142    HA   LEU  17           HA       LEU  17   9.887 -23.449  -7.746
  143   1HB   LEU  17          HB2       LEU  17   7.504 -22.888  -7.570
  144   2HB   LEU  17          HB3       LEU  17   7.803 -21.272  -8.193
  145    HG   LEU  17           HG       LEU  17   8.592 -22.314 -10.379
  146   1HD1  LEU  17          HD11      LEU  17   8.021 -24.694 -10.784
  147   2HD1  LEU  17          HD12      LEU  17   9.307 -24.530  -9.580
  148   3HD1  LEU  17          HD13      LEU  17   7.654 -24.901  -9.057
  149   1HD2  LEU  17          HD21      LEU  17   6.241 -21.586 -10.040
  150   2HD2  LEU  17          HD22      LEU  17   6.362 -22.961 -11.149
  151   3HD2  LEU  17          HD23      LEU  17   5.823 -23.211  -9.467
  152    H    ASN  18           H        ASN  18  11.047 -23.394  -9.626
  153    HA   ASN  18           HA       ASN  18  12.642 -22.846 -10.944
  154   1HB   ASN  18          HB2       ASN  18  11.314 -20.124 -11.175
  155   2HB   ASN  18          HB3       ASN  18  12.661 -20.615 -12.173
  156   1HD2  ASN  18          HD22      ASN  18  10.473 -19.723 -13.359
  157   2HD2  ASN  18          HD21      ASN  18   9.725 -21.019 -14.284
  158    H    GLY  19           H        GLY  19  12.551 -21.527  -8.047
  159   1HA   GLY  19          HA2       GLY  19  15.026 -21.344  -7.118
  160   2HA   GLY  19          HA3       GLY  19  14.927 -19.877  -8.124
  161    H    GLU  20           H        GLU  20  14.969 -18.639  -6.291
  162    HA   GLU  20           HA       GLU  20  12.448 -17.690  -5.428
  163   1HB   GLU  20          HB2       GLU  20  13.297 -19.527  -3.654
  164   2HB   GLU  20          HB3       GLU  20  14.366 -18.202  -3.157
  165   1HG   GLU  20          HG2       GLU  20  12.218 -16.783  -3.039
  166   2HG   GLU  20          HG3       GLU  20  11.334 -18.279  -3.297
  167    H    VAL  21           H        VAL  21  12.919 -15.570  -4.188
  168    HA   VAL  21           HA       VAL  21  15.598 -14.466  -4.354
  169    HB   VAL  21           HB       VAL  21  14.793 -12.400  -5.486
  170   1HG1  VAL  21          HG11      VAL  21  16.031 -14.087  -6.788
  171   2HG1  VAL  21          HG12      VAL  21  14.513 -14.888  -7.216
  172   3HG1  VAL  21          HG13      VAL  21  14.842 -13.245  -7.792
  173   1HG2  VAL  21          HG21      VAL  21  12.355 -12.670  -5.099
  174   2HG2  VAL  21          HG22      VAL  21  12.733 -12.419  -6.808
  175   3HG2  VAL  21          HG23      VAL  21  12.328 -14.047  -6.224
  176    H    THR  22           H        THR  22  15.304 -12.036  -3.433
  177    HA   THR  22           HA       THR  22  13.085 -11.897  -1.504
  178    HB   THR  22           HB       THR  22  14.512 -11.185   0.302
  179    HG1  THR  22           HG1      THR  22  16.799 -11.247   0.011
  180   1HG2  THR  22          HG21      THR  22  15.837 -13.697  -0.797
  181   2HG2  THR  22          HG22      THR  22  15.757 -13.160   0.893
  182   3HG2  THR  22          HG23      THR  22  14.277 -13.676   0.064
  183    H    ARG  23           H        ARG  23  13.310  -9.530  -0.524
  184    HA   ARG  23           HA       ARG  23  13.095  -7.539  -2.570
  185   1HB   ARG  23          HB2       ARG  23  13.678  -7.475   0.432
  186   2HB   ARG  23          HB3       ARG  23  13.366  -6.010  -0.531
  187   1HG   ARG  23          HG2       ARG  23  11.120  -7.078  -1.059
  188   2HG   ARG  23          HG3       ARG  23  11.462  -8.205   0.266
  189   1HD   ARG  23          HD2       ARG  23  11.507  -5.184   0.623
  190   2HD   ARG  23          HD3       ARG  23  10.076  -6.189   0.853
  191    HE   ARG  23           HE       ARG  23  12.362  -7.109   2.385
  192   1HH1  ARG  23          HH12      ARG  23   9.594  -4.858   2.386
  193   2HH1  ARG  23          HH11      ARG  23   9.533  -4.739   4.112
  194   1HH2  ARG  23          HH21      ARG  23  12.239  -6.966   4.677
  195   2HH2  ARG  23          HH22      ARG  23  11.055  -5.972   5.432
  196    H    GLU  24           H        GLU  24  15.933  -8.976  -1.176
  197    HA   GLU  24           HA       GLU  24  17.573  -6.681  -2.092
  198   1HB   GLU  24          HB2       GLU  24  18.937  -6.745  -0.188
  199   2HB   GLU  24          HB3       GLU  24  17.237  -6.520   0.272
  200   1HG   GLU  24          HG2       GLU  24  17.036  -8.909   0.706
  201   2HG   GLU  24          HG3       GLU  24  18.717  -9.144   0.225
  202    H    GLN  25           H        GLN  25  17.145 -10.110  -2.241
  203    HA   GLN  25           HA       GLN  25  19.835 -10.856  -2.828
  204   1HB   GLN  25          HB2       GLN  25  17.953 -12.409  -2.251
  205   2HB   GLN  25          HB3       GLN  25  17.216 -12.067  -3.824
  206   1HG   GLN  25          HG2       GLN  25  19.285 -12.983  -4.920
  207   2HG   GLN  25          HG3       GLN  25  19.906 -13.413  -3.321
  208   1HE2  GLN  25          HE22      GLN  25  18.274 -14.622  -5.987
  209   2HE2  GLN  25          HE21      GLN  25  17.282 -15.860  -5.241
  210    H    LEU  26           H        LEU  26  17.144  -9.578  -4.799
  211    HA   LEU  26           HA       LEU  26  18.845  -9.697  -7.225
  212   1HB   LEU  26          HB2       LEU  26  16.713  -9.236  -8.422
  213   2HB   LEU  26          HB3       LEU  26  16.866 -10.767  -7.612
  214    HG   LEU  26           HG       LEU  26  15.332 -10.164  -5.889
  215   1HD1  LEU  26          HD11      LEU  26  15.262  -7.370  -7.062
  216   2HD1  LEU  26          HD12      LEU  26  14.010  -8.019  -5.983
  217   3HD1  LEU  26          HD13      LEU  26  15.645  -7.872  -5.387
  218   1HD2  LEU  26          HD21      LEU  26  13.298  -9.979  -7.179
  219   2HD2  LEU  26          HD22      LEU  26  14.171  -9.252  -8.538
  220   3HD2  LEU  26          HD23      LEU  26  14.458 -10.948  -8.103
  221    H    ILE  27           H        ILE  27  17.732  -7.293  -4.969
  222    HA   ILE  27           HA       ILE  27  17.875  -5.096  -6.847
  223    HB   ILE  27           HB       ILE  27  17.371  -5.474  -3.920
  224   1HG1  ILE  27          HG12      ILE  27  15.510  -5.526  -5.440
  225   2HG1  ILE  27          HG13      ILE  27  15.392  -4.143  -4.366
  226   1HG2  ILE  27          HG21      ILE  27  18.903  -3.630  -3.679
  227   2HG2  ILE  27          HG22      ILE  27  18.020  -2.686  -4.897
  228   3HG2  ILE  27          HG23      ILE  27  17.250  -3.113  -3.365
  229   1HD1  ILE  27          HD11      ILE  27  16.139  -4.066  -7.319
  230   2HD1  ILE  27          HD12      ILE  27  14.641  -3.521  -6.572
  231   3HD1  ILE  27          HD13      ILE  27  16.151  -2.660  -6.233
  232    H    GLY  28           H        GLY  28  19.251  -3.309  -6.627
  233   1HA   GLY  28          HA2       GLY  28  21.389  -2.756  -5.219
  234   2HA   GLY  28          HA3       GLY  28  22.115  -3.998  -6.260
  235    H    GLU  29           H        GLU  29  20.966  -3.556  -8.694
  236    HA   GLU  29           HA       GLU  29  21.646  -0.733  -9.393
  237   1HB   GLU  29          HB2       GLU  29  23.615  -2.340  -9.405
  238   2HB   GLU  29          HB3       GLU  29  22.803  -3.182 -10.741
  239   1HG   GLU  29          HG2       GLU  29  22.975  -1.204 -12.155
  240   2HG   GLU  29          HG3       GLU  29  23.412  -0.184 -10.787
  241    H    LYS  30           H        LYS  30  19.684  -3.531 -10.070
  242    HA   LYS  30           HA       LYS  30  18.646  -2.141 -12.495
  243   1HB   LYS  30          HB2       LYS  30  18.650  -5.134 -11.927
  244   2HB   LYS  30          HB3       LYS  30  17.998  -4.362 -13.370
  245   1HG   LYS  30          HG2       LYS  30  20.925  -4.345 -12.513
  246   2HG   LYS  30          HG3       LYS  30  20.224  -5.379 -13.752
  247   1HD   LYS  30          HD2       LYS  30  19.891  -3.584 -15.266
  248   2HD   LYS  30          HD3       LYS  30  20.022  -2.355 -14.022
  249   1HE   LYS  30          HE2       LYS  30  22.003  -2.306 -15.343
  250   2HE   LYS  30          HE3       LYS  30  22.374  -2.785 -13.686
  251   1HZ   LYS  30          HZ1       LYS  30  23.500  -4.121 -15.470
  252   2HZ   LYS  30          HZ2       LYS  30  22.653  -5.042 -14.423
  253   3HZ   LYS  30          HZ3       LYS  30  22.039  -4.738 -15.906
  254    HA   PRO  31           HA       PRO  31  14.737  -1.951 -10.415
  255   1HB   PRO  31          HB2       PRO  31  13.025  -1.793 -12.566
  256   2HB   PRO  31          HB3       PRO  31  14.087  -0.449 -12.043
  257   1HG   PRO  31          HG2       PRO  31  14.618  -2.472 -14.236
  258   2HG   PRO  31          HG3       PRO  31  14.755  -0.683 -14.312
  259   1HD   PRO  31          HD2       PRO  31  16.918  -2.239 -13.850
  260   2HD   PRO  31          HD3       PRO  31  16.716  -0.681 -13.001
  261    H    THR  32           H        THR  32  12.641  -3.180 -10.383
  262    HA   THR  32           HA       THR  32  12.980  -6.009 -11.210
  263    HB   THR  32           HB       THR  32  12.242  -4.988  -8.433
  264    HG1  THR  32           HG1      THR  32  14.393  -4.801  -8.694
  265   1HG2  THR  32          HG21      THR  32  12.536  -7.826  -9.508
  266   2HG2  THR  32          HG22      THR  32  12.414  -7.390  -7.785
  267   3HG2  THR  32          HG23      THR  32  11.065  -7.066  -8.878
  268    H    LEU  33           H        LEU  33  11.284  -6.698 -12.264
  269    HA   LEU  33           HA       LEU  33   8.636  -5.365 -11.974
  270   1HB   LEU  33          HB2       LEU  33   9.230  -5.621 -14.275
  271   2HB   LEU  33          HB3       LEU  33   9.855  -7.257 -14.018
  272    HG   LEU  33           HG       LEU  33   7.574  -8.112 -13.635
  273   1HD1  LEU  33          HD11      LEU  33   6.613  -5.296 -14.278
  274   2HD1  LEU  33          HD12      LEU  33   5.604  -6.735 -14.007
  275   3HD1  LEU  33          HD13      LEU  33   6.521  -6.051 -12.673
  276   1HD2  LEU  33          HD21      LEU  33   6.749  -7.893 -15.916
  277   2HD2  LEU  33          HD22      LEU  33   7.777  -6.468 -16.188
  278   3HD2  LEU  33          HD23      LEU  33   8.508  -8.062 -15.919
  279    H    ILE  34           H        ILE  34   7.548  -6.222 -10.296
  280    HA   ILE  34           HA       ILE  34   7.695  -9.154  -9.804
  281    HB   ILE  34           HB       ILE  34   6.275  -7.039  -8.139
  282   1HG1  ILE  34          HG12      ILE  34   9.085  -8.147  -7.858
  283   2HG1  ILE  34          HG13      ILE  34   8.592  -6.464  -8.015
  284   1HG2  ILE  34          HG21      ILE  34   6.125  -8.832  -6.446
  285   2HG2  ILE  34          HG22      ILE  34   5.432  -9.372  -7.964
  286   3HG2  ILE  34          HG23      ILE  34   7.066  -9.914  -7.501
  287   1HD1  ILE  34          HD11      ILE  34   9.213  -6.805  -5.774
  288   2HD1  ILE  34          HD12      ILE  34   7.442  -6.673  -5.767
  289   3HD1  ILE  34          HD13      ILE  34   8.232  -8.264  -5.600
  290    H    HIS  35           H        HIS  35   6.173 -10.247 -11.013
  291    HA   HIS  35           HA       HIS  35   3.690  -8.746 -11.769
  292   1HB   HIS  35          HB2       HIS  35   3.483 -10.097 -13.726
  293   2HB   HIS  35          HB3       HIS  35   4.981  -9.155 -13.792
  294    HD1  HIS  35           HD1      HIS  35   3.590 -12.627 -13.885
  295    HD2  HIS  35           HD2      HIS  35   7.310 -10.691 -13.709
  296    HE1  HIS  35           HE1      HIS  35   5.339 -14.388 -14.389
  297    H    PHE  36           H        PHE  36   1.875  -9.516 -11.003
  298    HA   PHE  36           HA       PHE  36   1.770 -12.152  -9.671
  299   1HB   PHE  36          HB2       PHE  36   0.035  -9.669  -9.689
  300   2HB   PHE  36          HB3       PHE  36  -0.652 -11.250  -9.344
  301    HD1  PHE  36           HD1      PHE  36   2.668  -9.794  -8.165
  302    HD2  PHE  36           HD2      PHE  36  -1.274 -11.224  -7.156
  303    HE1  PHE  36           HE1      PHE  36   3.258  -9.755  -5.773
  304    HE2  PHE  36           HE2      PHE  36  -0.655 -11.210  -4.756
  305    HZ   PHE  36           HZ       PHE  36   1.607 -10.490  -4.066
  306    H    TRP  37           H        TRP  37   0.808 -13.796 -10.744
  307    HA   TRP  37           HA       TRP  37  -1.003 -13.358 -12.993
  308   1HB   TRP  37          HB2       TRP  37   0.277 -14.572 -14.599
  309   2HB   TRP  37          HB3       TRP  37   1.322 -13.307 -13.997
  310    HD1  TRP  37           HD1      TRP  37   3.370 -14.165 -12.292
  311    HE1  TRP  37           HE1      TRP  37   4.493 -16.447 -12.042
  312    HE3  TRP  37           HE3      TRP  37   0.132 -17.020 -15.052
  313    HZ2  TRP  37           HZ2      TRP  37   4.137 -19.158 -13.025
  314    HZ3  TRP  37           HZ3      TRP  37   0.630 -19.380 -15.511
  315    HH2  TRP  37           HH2      TRP  37   2.617 -20.486 -14.472
  316    H    SER  38           H        SER  38  -1.681 -15.825 -13.727
  317    HA   SER  38           HA       SER  38  -1.047 -17.847 -11.828
  318   1HB   SER  38          HB2       SER  38  -3.484 -18.331 -11.219
  319   2HB   SER  38          HB3       SER  38  -2.728 -16.945 -10.423
  320    HG   SER  38           HG       SER  38  -3.693 -15.595 -11.991
  321    H    ILE  39           H        ILE  39  -1.943 -19.925 -12.408
  322    HA   ILE  39           HA       ILE  39  -1.792 -20.324 -15.237
  323    HB   ILE  39           HB       ILE  39  -1.840 -22.704 -14.616
  324   1HG1  ILE  39          HG12      ILE  39  -2.486 -21.708 -11.813
  325   2HG1  ILE  39          HG13      ILE  39  -3.368 -22.864 -12.800
  326   1HG2  ILE  39          HG21      ILE  39   0.037 -21.159 -12.809
  327   2HG2  ILE  39          HG22      ILE  39   0.273 -22.730 -13.609
  328   3HG2  ILE  39          HG23      ILE  39   0.193 -21.278 -14.572
  329   1HD1  ILE  39          HD11      ILE  39  -2.225 -24.129 -11.130
  330   2HD1  ILE  39          HD12      ILE  39  -1.305 -24.373 -12.629
  331   3HD1  ILE  39          HD13      ILE  39  -0.717 -23.246 -11.399
  332    H    SER  40           H        SER  40  -4.543 -19.449 -13.598
  333    HA   SER  40           HA       SER  40  -6.300 -20.784 -15.580
  334   1HB   SER  40          HB2       SER  40  -7.057 -20.759 -12.649
  335   2HB   SER  40          HB3       SER  40  -7.728 -21.728 -13.965
  336    HG   SER  40           HG       SER  40  -5.520 -22.038 -12.346
  337    H    CYS  41           H        CYS  41  -5.531 -18.216 -15.900
  338    HA   CYS  41           HA       CYS  41  -7.699 -16.506 -14.771
  339   1HB   CYS  41          HB2       CYS  41  -5.980 -15.976 -13.375
  340   2HB   CYS  41          HB3       CYS  41  -4.737 -16.355 -14.549
  341    H    HIS  42           H        HIS  42  -8.573 -15.100 -16.043
  342    HA   HIS  42           HA       HIS  42  -8.533 -15.574 -18.808
  343   1HB   HIS  42          HB2       HIS  42  -9.893 -13.215 -17.464
  344   2HB   HIS  42          HB3       HIS  42 -10.455 -14.157 -18.841
  345    HD1  HIS  42           HD1      HIS  42 -10.997 -16.944 -17.972
  346    HD2  HIS  42           HD2      HIS  42 -11.043 -13.753 -15.223
  347    HE1  HIS  42           HE1      HIS  42 -12.236 -17.788 -15.916
  348    H    LEU  43           H        LEU  43  -6.561 -13.254 -17.156
  349    HA   LEU  43           HA       LEU  43  -5.863 -12.260 -19.865
  350   1HB   LEU  43          HB2       LEU  43  -6.980 -10.603 -17.894
  351   2HB   LEU  43          HB3       LEU  43  -5.252 -10.271 -17.801
  352    HG   LEU  43           HG       LEU  43  -7.057 -10.063 -20.246
  353   1HD1  LEU  43          HD11      LEU  43  -5.449  -7.964 -18.727
  354   2HD1  LEU  43          HD12      LEU  43  -6.505  -7.675 -20.127
  355   3HD1  LEU  43          HD13      LEU  43  -7.205  -8.222 -18.595
  356   1HD2  LEU  43          HD21      LEU  43  -4.885 -10.863 -21.067
  357   2HD2  LEU  43          HD22      LEU  43  -5.104  -9.164 -21.481
  358   3HD2  LEU  43          HD23      LEU  43  -4.044  -9.617 -20.124
  359    H    CYS  44           H        CYS  44  -4.780 -13.650 -16.945
  360    HA   CYS  44           HA       CYS  44  -2.014 -13.020 -17.042
  361   1HB   CYS  44          HB2       CYS  44  -3.267 -15.656 -16.194
  362   2HB   CYS  44          HB3       CYS  44  -1.687 -15.043 -15.774
  363    H    LYS  45           H        LYS  45  -4.058 -15.255 -18.938
  364    HA   LYS  45           HA       LYS  45  -2.001 -16.642 -20.219
  365   1HB   LYS  45          HB2       LYS  45  -3.579 -17.515 -21.542
  366   2HB   LYS  45          HB3       LYS  45  -4.634 -16.859 -20.290
  367   1HG   LYS  45          HG2       LYS  45  -4.086 -15.542 -22.978
  368   2HG   LYS  45          HG3       LYS  45  -5.458 -16.579 -22.608
  369   1HD   LYS  45          HD2       LYS  45  -6.336 -15.031 -20.972
  370   2HD   LYS  45          HD3       LYS  45  -4.867 -14.041 -21.050
  371   1HE   LYS  45          HE2       LYS  45  -6.441 -12.870 -22.364
  372   2HE   LYS  45          HE3       LYS  45  -5.286 -13.619 -23.477
  373   1HZ   LYS  45          HZ1       LYS  45  -8.010 -14.648 -22.851
  374   2HZ   LYS  45          HZ2       LYS  45  -7.586 -13.881 -24.222
  375   3HZ   LYS  45          HZ3       LYS  45  -6.966 -15.350 -23.902
  376    H    GLU  46           H        GLU  46  -2.651 -13.233 -20.550
  377    HA   GLU  46           HA       GLU  46  -1.057 -13.142 -23.078
  378   1HB   GLU  46          HB2       GLU  46  -2.368 -10.925 -21.470
  379   2HB   GLU  46          HB3       GLU  46  -1.370 -10.667 -22.895
  380   1HG   GLU  46          HG2       GLU  46  -3.955 -12.250 -22.826
  381   2HG   GLU  46          HG3       GLU  46  -3.790 -10.611 -23.417
  382    H    ALA  47           H        ALA  47  -0.965 -12.404 -19.588
  383    HA   ALA  47           HA       ALA  47   1.533 -11.089 -19.569
  384   1HB   ALA  47          HB1       ALA  47   1.560 -11.536 -17.162
  385   2HB   ALA  47          HB2       ALA  47  -0.090 -11.091 -17.641
  386   3HB   ALA  47          HB3       ALA  47   0.330 -12.796 -17.334
  387    H    MET  48           H        MET  48   0.745 -14.567 -19.182
  388    HA   MET  48           HA       MET  48   3.286 -15.521 -18.540
  389   1HB   MET  48          HB2       MET  48   0.872 -16.656 -20.006
  390   2HB   MET  48          HB3       MET  48   2.251 -17.667 -19.586
  391   1HG   MET  48          HG2       MET  48   1.834 -17.536 -17.305
  392   2HG   MET  48          HG3       MET  48   1.078 -15.959 -17.399
  393   1HE   MET  48          HE1       MET  48  -0.175 -18.792 -19.835
  394   2HE   MET  48          HE2       MET  48   0.661 -19.619 -18.497
  395   3HE   MET  48          HE3       MET  48  -1.110 -19.795 -18.698
  396    HA   PRO  49           HA       PRO  49   4.611 -16.092 -23.053
  397   1HB   PRO  49          HB2       PRO  49   3.428 -14.435 -24.979
  398   2HB   PRO  49          HB3       PRO  49   3.077 -16.176 -24.721
  399   1HG   PRO  49          HG2       PRO  49   1.541 -13.772 -23.812
  400   2HG   PRO  49          HG3       PRO  49   0.916 -15.351 -24.352
  401   1HD   PRO  49          HD2       PRO  49   1.084 -14.655 -21.702
  402   2HD   PRO  49          HD3       PRO  49   1.274 -16.336 -22.263
  403    H    GLN  50           H        GLN  50   3.400 -12.825 -21.961
  404    HA   GLN  50           HA       GLN  50   5.703 -11.540 -23.240
  405   1HB   GLN  50          HB2       GLN  50   3.358 -10.678 -21.566
  406   2HB   GLN  50          HB3       GLN  50   4.690  -9.548 -21.898
  407   1HG   GLN  50          HG2       GLN  50   4.326  -9.576 -24.226
  408   2HG   GLN  50          HG3       GLN  50   3.429 -11.097 -24.184
  409   1HE2  GLN  50          HE22      GLN  50   2.970  -7.969 -22.365
  410   2HE2  GLN  50          HE21      GLN  50   1.263  -7.872 -22.803
  411    H    VAL  51           H        VAL  51   5.009 -12.961 -20.115
  412    HA   VAL  51           HA       VAL  51   7.221 -11.838 -18.705
  413    HB   VAL  51           HB       VAL  51   5.436 -14.255 -18.399
  414   1HG1  VAL  51          HG11      VAL  51   7.611 -15.033 -17.525
  415   2HG1  VAL  51          HG12      VAL  51   7.707 -13.592 -16.492
  416   3HG1  VAL  51          HG13      VAL  51   6.429 -14.808 -16.249
  417   1HG2  VAL  51          HG21      VAL  51   4.514 -13.026 -16.593
  418   2HG2  VAL  51          HG22      VAL  51   5.890 -11.885 -16.542
  419   3HG2  VAL  51          HG23      VAL  51   4.726 -11.837 -17.873
  420    H    ASN  52           H        ASN  52   6.792 -14.845 -20.642
  421    HA   ASN  52           HA       ASN  52   9.474 -15.735 -20.634
  422   1HB   ASN  52          HB2       ASN  52   8.427 -17.237 -21.901
  423   2HB   ASN  52          HB3       ASN  52   7.099 -16.166 -22.252
  424   1HD2  ASN  52          HD22      ASN  52   6.907 -15.389 -24.344
  425   2HD2  ASN  52          HD21      ASN  52   8.076 -15.740 -25.608
  426    H    GLU  53           H        GLU  53   7.972 -13.225 -22.719
  427    HA   GLU  53           HA       GLU  53  10.357 -12.572 -24.112
  428   1HB   GLU  53          HB2       GLU  53   7.879 -10.887 -23.586
  429   2HB   GLU  53          HB3       GLU  53   9.229 -10.378 -24.589
  430   1HG   GLU  53          HG2       GLU  53   8.910 -12.350 -26.052
  431   2HG   GLU  53          HG3       GLU  53   7.534 -12.859 -25.072
  432    H    PHE  54           H        PHE  54   8.991 -10.928 -21.118
  433    HA   PHE  54           HA       PHE  54  11.147  -9.123 -20.844
  434   1HB   PHE  54          HB2       PHE  54   9.452 -10.502 -18.733
  435   2HB   PHE  54          HB3       PHE  54  10.678  -9.308 -18.338
  436    HD1  PHE  54           HD1      PHE  54  10.528  -7.020 -19.734
  437    HD2  PHE  54           HD2      PHE  54   7.251  -9.651 -18.789
  438    HE1  PHE  54           HE1      PHE  54   8.924  -5.154 -20.076
  439    HE2  PHE  54           HE2      PHE  54   5.674  -7.784 -19.029
  440    HZ   PHE  54           HZ       PHE  54   6.489  -5.526 -19.727
  441    H    ARG  55           H        ARG  55  10.863 -12.457 -19.648
  442    HA   ARG  55           HA       ARG  55  13.270 -12.561 -18.194
  443   1HB   ARG  55          HB2       ARG  55  11.557 -14.167 -17.865
  444   2HB   ARG  55          HB3       ARG  55  11.474 -14.600 -19.549
  445   1HG   ARG  55          HG2       ARG  55  13.817 -15.298 -17.733
  446   2HG   ARG  55          HG3       ARG  55  12.419 -16.328 -18.017
  447   1HD   ARG  55          HD2       ARG  55  14.591 -15.614 -20.004
  448   2HD   ARG  55          HD3       ARG  55  14.159 -17.167 -19.396
  449    HE   ARG  55           HE       ARG  55  12.477 -15.501 -21.242
  450   1HH1  ARG  55          HH11      ARG  55  13.140 -18.771 -19.965
  451   2HH1  ARG  55          HH12      ARG  55  12.386 -19.554 -21.312
  452   1HH2  ARG  55          HH21      ARG  55  11.528 -16.624 -23.022
  453   2HH2  ARG  55          HH22      ARG  55  11.657 -18.341 -23.110
  454    H    ASP  56           H        ASP  56  12.817 -12.860 -21.731
  455    HA   ASP  56           HA       ASP  56  15.754 -13.465 -21.919
  456   1HB   ASP  56          HB2       ASP  56  14.360 -14.970 -23.094
  457   2HB   ASP  56          HB3       ASP  56  13.533 -13.650 -23.945
  458    H    LYS  57           H        LYS  57  13.373 -11.077 -23.216
  459    HA   LYS  57           HA       LYS  57  15.370  -9.657 -24.726
  460   1HB   LYS  57          HB2       LYS  57  12.601  -8.738 -23.806
  461   2HB   LYS  57          HB3       LYS  57  13.605  -7.972 -25.047
  462   1HG   LYS  57          HG2       LYS  57  13.562 -10.145 -26.331
  463   2HG   LYS  57          HG3       LYS  57  12.401 -10.767 -25.143
  464   1HD   LYS  57          HD2       LYS  57  10.789  -9.014 -25.743
  465   2HD   LYS  57          HD3       LYS  57  11.960  -8.293 -26.870
  466   1HE   LYS  57          HE2       LYS  57  12.010 -10.366 -28.198
  467   2HE   LYS  57          HE3       LYS  57  10.886 -11.145 -27.074
  468   1HZ   LYS  57          HZ1       LYS  57   9.841 -10.252 -29.110
  469   2HZ   LYS  57          HZ2       LYS  57   9.167  -9.668 -27.746
  470   3HZ   LYS  57          HZ3       LYS  57  10.193  -8.730 -28.643
  471    H    TYR  58           H        TYR  58  14.067  -9.312 -21.444
  472    HA   TYR  58           HA       TYR  58  15.757  -6.889 -21.103
  473   1HB   TYR  58          HB2       TYR  58  13.064  -7.404 -19.886
  474   2HB   TYR  58          HB3       TYR  58  14.148  -6.055 -19.526
  475    HD1  TYR  58           HD1      TYR  58  15.039  -4.671 -21.581
  476    HD2  TYR  58           HD2      TYR  58  11.502  -7.138 -21.724
  477    HE1  TYR  58           HE1      TYR  58  14.134  -3.277 -23.421
  478    HE2  TYR  58           HE2      TYR  58  10.612  -5.786 -23.577
  479    HH   TYR  58           HH       TYR  58  10.985  -3.982 -25.010
  480    H    GLN  59           H        GLN  59  15.859 -10.058 -20.156
  481    HA   GLN  59           HA       GLN  59  16.620  -9.790 -17.450
  482   1HB   GLN  59          HB2       GLN  59  18.240 -11.668 -17.874
  483   2HB   GLN  59          HB3       GLN  59  16.551 -11.961 -18.215
  484   1HG   GLN  59          HG2       GLN  59  17.971 -13.004 -19.914
  485   2HG   GLN  59          HG3       GLN  59  16.936 -11.788 -20.616
  486   1HE2  GLN  59          HE21      GLN  59  17.970 -10.594 -22.152
  487   2HE2  GLN  59          HE22      GLN  59  19.625 -10.012 -22.042
  488    H    ASP  60           H        ASP  60  18.699  -9.464 -16.494
  489    HA   ASP  60           HA       ASP  60  20.470  -8.254 -15.966
  490   1HB   ASP  60          HB2       ASP  60  21.589  -9.598 -17.692
  491   2HB   ASP  60          HB3       ASP  60  21.249  -8.350 -18.892
  492    H    GLN  61           H        GLN  61  18.070  -6.861 -17.934
  493    HA   GLN  61           HA       GLN  61  19.105  -4.107 -17.356
  494   1HB   GLN  61          HB2       GLN  61  16.895  -5.052 -19.219
  495   2HB   GLN  61          HB3       GLN  61  17.425  -3.391 -19.011
  496   1HG   GLN  61          HG2       GLN  61  19.387  -3.697 -20.223
  497   2HG   GLN  61          HG3       GLN  61  19.511  -5.410 -19.839
  498   1HE2  GLN  61          HE22      GLN  61  18.383  -6.980 -21.042
  499   2HE2  GLN  61          HE21      GLN  61  17.440  -6.583 -22.475
  500    H    LEU  62           H        LEU  62  16.585  -6.506 -16.928
  501    HA   LEU  62           HA       LEU  62  15.267  -4.963 -14.739
  502   1HB   LEU  62          HB2       LEU  62  14.011  -4.846 -16.923
  503   2HB   LEU  62          HB3       LEU  62  14.083  -6.600 -17.033
  504    HG   LEU  62           HG       LEU  62  12.720  -6.731 -14.900
  505   1HD1  LEU  62          HD11      LEU  62  13.111  -4.509 -13.975
  506   2HD1  LEU  62          HD12      LEU  62  12.427  -3.738 -15.416
  507   3HD1  LEU  62          HD13      LEU  62  11.393  -4.680 -14.326
  508   1HD2  LEU  62          HD21      LEU  62  11.707  -7.191 -16.995
  509   2HD2  LEU  62          HD22      LEU  62  10.596  -6.113 -16.141
  510   3HD2  LEU  62          HD23      LEU  62  11.647  -5.488 -17.427
  511    H    ASN  63           H        ASN  63  14.946  -6.264 -12.928
  512    HA   ASN  63           HA       ASN  63  15.644  -9.139 -13.013
  513   1HB   ASN  63          HB2       ASN  63  14.443  -7.463 -10.797
  514   2HB   ASN  63          HB3       ASN  63  14.907  -9.150 -10.681
  515   1HD2  ASN  63          HD22      ASN  63  15.772  -6.561  -9.356
  516   2HD2  ASN  63          HD21      ASN  63  17.514  -6.806  -9.275
  517    H    VAL  64           H        VAL  64  13.977 -10.671 -13.361
  518    HA   VAL  64           HA       VAL  64  11.162  -9.649 -13.379
  519    HB   VAL  64           HB       VAL  64  12.118 -12.113 -14.863
  520   1HG1  VAL  64          HG11      VAL  64  10.104 -11.775 -16.172
  521   2HG1  VAL  64          HG12      VAL  64   9.649 -11.696 -14.463
  522   3HG1  VAL  64          HG13      VAL  64   9.798 -10.202 -15.399
  523   1HG2  VAL  64          HG21      VAL  64  12.095  -9.288 -15.992
  524   2HG2  VAL  64          HG22      VAL  64  13.500 -10.369 -15.852
  525   3HG2  VAL  64          HG23      VAL  64  12.195 -10.779 -16.957
  526    H    VAL  65           H        VAL  65   9.969 -10.439 -11.677
  527    HA   VAL  65           HA       VAL  65  10.524 -13.209 -10.831
  528    HB   VAL  65           HB       VAL  65  11.659 -12.090  -9.131
  529   1HG1  VAL  65          HG11      VAL  65  10.790 -10.302  -7.716
  530   2HG1  VAL  65          HG12      VAL  65  10.827  -9.772  -9.400
  531   3HG1  VAL  65          HG13      VAL  65   9.284 -10.256  -8.661
  532   1HG2  VAL  65          HG21      VAL  65  10.377 -12.660  -7.114
  533   2HG2  VAL  65          HG22      VAL  65   8.885 -12.719  -8.047
  534   3HG2  VAL  65          HG23      VAL  65  10.177 -13.898  -8.366
  535    H    ALA  66           H        ALA  66   8.820 -14.362 -10.809
  536    HA   ALA  66           HA       ALA  66   6.155 -13.224 -11.434
  537   1HB   ALA  66          HB1       ALA  66   6.380 -15.217 -12.648
  538   2HB   ALA  66          HB2       ALA  66   7.569 -15.876 -11.530
  539   3HB   ALA  66          HB3       ALA  66   5.843 -15.923 -11.132
  540    H    VAL  67           H        VAL  67   4.408 -13.516 -10.041
  541    HA   VAL  67           HA       VAL  67   4.883 -14.952  -7.509
  542    HB   VAL  67           HB       VAL  67   3.145 -12.481  -7.753
  543   1HG1  VAL  67          HG11      VAL  67   4.189 -14.008  -5.320
  544   2HG1  VAL  67          HG12      VAL  67   3.142 -12.587  -5.282
  545   3HG1  VAL  67          HG13      VAL  67   2.533 -14.097  -5.960
  546   1HG2  VAL  67          HG21      VAL  67   4.913 -11.320  -6.392
  547   2HG2  VAL  67          HG22      VAL  67   5.997 -12.690  -6.693
  548   3HG2  VAL  67          HG23      VAL  67   5.411 -11.700  -8.048
  549    H    HIS  68           H        HIS  68   3.434 -16.631  -7.408
  550    HA   HIS  68           HA       HIS  68   1.306 -16.717  -9.490
  551   1HB   HIS  68          HB2       HIS  68   2.777 -18.738  -9.114
  552   2HB   HIS  68          HB3       HIS  68   2.073 -18.885  -7.494
  553    HD1  HIS  68           HD1      HIS  68  -0.602 -19.578  -7.443
  554    HD2  HIS  68           HD2      HIS  68   1.198 -19.218 -11.232
  555    HE1  HIS  68           HE1      HIS  68  -2.319 -20.374  -9.142
  556    H    MET  69           H        MET  69  -0.802 -16.257  -8.880
  557    HA   MET  69           HA       MET  69  -1.269 -15.771  -5.976
  558   1HB   MET  69          HB2       MET  69  -1.287 -13.894  -7.876
  559   2HB   MET  69          HB3       MET  69  -2.978 -14.401  -7.947
  560   1HG   MET  69          HG2       MET  69  -1.412 -13.360  -5.582
  561   2HG   MET  69          HG3       MET  69  -2.792 -12.600  -6.383
  562   1HE   MET  69          HE1       MET  69  -4.891 -14.951  -6.642
  563   2HE   MET  69          HE2       MET  69  -5.810 -14.654  -5.154
  564   3HE   MET  69          HE3       MET  69  -5.215 -13.268  -6.123
  565    HA   PRO  70           HA       PRO  70  -3.838 -19.497  -6.734
  566   1HB   PRO  70          HB2       PRO  70  -4.425 -18.921  -3.815
  567   2HB   PRO  70          HB3       PRO  70  -4.081 -20.470  -4.614
  568   1HG   PRO  70          HG2       PRO  70  -2.126 -19.196  -3.204
  569   2HG   PRO  70          HG3       PRO  70  -1.723 -19.891  -4.797
  570   1HD   PRO  70          HD2       PRO  70  -2.490 -16.995  -4.192
  571   2HD   PRO  70          HD3       PRO  70  -1.087 -17.643  -5.102
  572    H    ARG  71           H        ARG  71  -5.644 -19.047  -7.936
  573    HA   ARG  71           HA       ARG  71  -7.771 -17.294  -6.831
  574   1HB   ARG  71          HB2       ARG  71  -7.360 -18.815  -9.419
  575   2HB   ARG  71          HB3       ARG  71  -8.942 -18.141  -9.005
  576   1HG   ARG  71          HG2       ARG  71  -8.231 -15.930  -9.094
  577   2HG   ARG  71          HG3       ARG  71  -6.555 -16.325  -8.722
  578   1HD   ARG  71          HD2       ARG  71  -6.710 -15.568 -11.014
  579   2HD   ARG  71          HD3       ARG  71  -6.174 -17.241 -10.897
  580    HE   ARG  71           HE       ARG  71  -7.915 -17.926 -12.136
  581   1HH1  ARG  71          HH21      ARG  71  -8.881 -14.716 -10.926
  582   2HH1  ARG  71          HH22      ARG  71 -10.230 -14.597 -11.994
  583   1HH2  ARG  71          HH11      ARG  71  -9.571 -17.747 -13.532
  584   2HH2  ARG  71          HH12      ARG  71 -10.654 -16.385 -13.557
  585    H    SER  72           H        SER  72  -6.921 -20.669  -6.750
  586    HA   SER  72           HA       SER  72  -9.301 -21.337  -5.181
  587   1HB   SER  72          HB2       SER  72  -8.528 -22.946  -7.660
  588   2HB   SER  72          HB3       SER  72  -9.909 -23.222  -6.594
  589    HG   SER  72           HG       SER  72 -10.509 -22.193  -8.543
  590    H    GLU  73           H        GLU  73  -8.959 -23.594  -4.213
  591    HA   GLU  73           HA       GLU  73  -6.229 -24.156  -3.491
  592   1HB   GLU  73          HB2       GLU  73  -8.221 -24.818  -2.156
  593   2HB   GLU  73          HB3       GLU  73  -8.679 -25.971  -3.419
  594   1HG   GLU  73          HG2       GLU  73  -6.552 -27.203  -3.066
  595   2HG   GLU  73          HG3       GLU  73  -6.052 -26.013  -1.862
  596    H    ASP  74           H        ASP  74  -8.467 -25.338  -6.006
  597    HA   ASP  74           HA       ASP  74  -6.613 -27.189  -7.206
  598   1HB   ASP  74          HB2       ASP  74  -9.120 -27.358  -7.254
  599   2HB   ASP  74          HB3       ASP  74  -9.165 -25.950  -8.316
  600    H    ASP  75           H        ASP  75  -5.821 -24.236  -6.911
  601    HA   ASP  75           HA       ASP  75  -4.914 -23.805  -9.732
  602   1HB   ASP  75          HB2       ASP  75  -6.792 -22.257  -9.111
  603   2HB   ASP  75          HB3       ASP  75  -5.777 -21.642  -7.796
  604    H    LEU  76           H        LEU  76  -4.093 -24.263  -6.437
  605    HA   LEU  76           HA       LEU  76  -1.457 -22.942  -6.797
  606   1HB   LEU  76          HB2       LEU  76  -1.261 -22.986  -4.366
  607   2HB   LEU  76          HB3       LEU  76  -2.622 -22.068  -4.985
  608    HG   LEU  76           HG       LEU  76  -4.189 -23.814  -4.341
  609   1HD1  LEU  76          HD11      LEU  76  -1.770 -25.222  -3.114
  610   2HD1  LEU  76          HD12      LEU  76  -3.462 -25.602  -2.721
  611   3HD1  LEU  76          HD13      LEU  76  -2.872 -25.869  -4.353
  612   1HD2  LEU  76          HD21      LEU  76  -2.363 -22.888  -2.078
  613   2HD2  LEU  76          HD22      LEU  76  -3.687 -21.958  -2.804
  614   3HD2  LEU  76          HD23      LEU  76  -4.046 -23.430  -1.900
  615    H    ASP  77           H        ASP  77  -2.622 -25.763  -7.577
  616    HA   ASP  77           HA       ASP  77  -1.155 -27.799  -6.386
  617   1HB   ASP  77          HB2       ASP  77  -3.015 -28.155  -7.909
  618   2HB   ASP  77          HB3       ASP  77  -2.065 -27.532  -9.262
  619    HA   PRO  78           HA       PRO  78   2.964 -26.182  -7.456
  620   1HB   PRO  78          HB2       PRO  78   3.696 -29.012  -6.715
  621   2HB   PRO  78          HB3       PRO  78   4.484 -27.478  -6.232
  622   1HG   PRO  78          HG2       PRO  78   2.816 -28.780  -4.527
  623   2HG   PRO  78          HG3       PRO  78   2.741 -26.990  -4.678
  624   1HD   PRO  78          HD2       PRO  78   0.896 -29.048  -5.884
  625   2HD   PRO  78          HD3       PRO  78   0.510 -27.454  -5.174
  626    H    GLY  79           H        GLY  79   1.613 -29.209  -8.721
  627   1HA   GLY  79          HA2       GLY  79   3.685 -29.704 -10.696
  628   2HA   GLY  79          HA3       GLY  79   2.102 -30.505 -10.530
  629    H    LYS  80           H        LYS  80   0.284 -28.336 -10.646
  630    HA   LYS  80           HA       LYS  80   0.419 -27.838 -13.485
  631   1HB   LYS  80          HB2       LYS  80  -1.702 -28.189 -12.047
  632   2HB   LYS  80          HB3       LYS  80  -1.517 -26.481 -11.612
  633   1HG   LYS  80          HG2       LYS  80  -1.238 -26.177 -14.244
  634   2HG   LYS  80          HG3       LYS  80  -1.953 -27.761 -14.354
  635   1HD   LYS  80          HD2       LYS  80  -4.071 -27.002 -13.691
  636   2HD   LYS  80          HD3       LYS  80  -3.409 -25.665 -12.721
  637   1HE   LYS  80          HE2       LYS  80  -2.553 -24.604 -14.807
  638   2HE   LYS  80          HE3       LYS  80  -3.317 -25.859 -15.760
  639   1HZ   LYS  80          HZ1       LYS  80  -4.864 -24.003 -13.989
  640   2HZ   LYS  80          HZ2       LYS  80  -4.619 -23.744 -15.565
  641   3HZ   LYS  80          HZ3       LYS  80  -5.475 -25.060 -15.082
  642    H    ILE  81           H        ILE  81   1.320 -25.825 -10.632
  643    HA   ILE  81           HA       ILE  81   1.525 -23.414 -12.167
  644    HB   ILE  81           HB       ILE  81   3.159 -24.213  -9.752
  645   1HG1  ILE  81          HG12      ILE  81   0.785 -22.319  -9.600
  646   2HG1  ILE  81          HG13      ILE  81   0.463 -24.044  -9.591
  647   1HG2  ILE  81          HG21      ILE  81   4.044 -22.243 -11.085
  648   2HG2  ILE  81          HG22      ILE  81   2.483 -21.454 -10.928
  649   3HG2  ILE  81          HG23      ILE  81   3.475 -21.750  -9.485
  650   1HD1  ILE  81          HD11      ILE  81   1.885 -24.427  -7.738
  651   2HD1  ILE  81          HD12      ILE  81   2.424 -22.731  -7.683
  652   3HD1  ILE  81          HD13      ILE  81   0.735 -23.140  -7.310
  653    H    LYS  82           H        LYS  82   3.970 -25.933 -11.313
  654    HA   LYS  82           HA       LYS  82   6.030 -24.907 -12.955
  655   1HB   LYS  82          HB2       LYS  82   6.577 -26.627 -11.370
  656   2HB   LYS  82          HB3       LYS  82   5.356 -27.717 -12.019
  657   1HG   LYS  82          HG2       LYS  82   7.522 -28.505 -12.720
  658   2HG   LYS  82          HG3       LYS  82   6.581 -27.975 -14.100
  659   1HD   LYS  82          HD2       LYS  82   8.729 -27.161 -14.565
  660   2HD   LYS  82          HD3       LYS  82   7.923 -25.728 -13.928
  661   1HE   LYS  82          HE2       LYS  82   8.940 -26.276 -11.656
  662   2HE   LYS  82          HE3       LYS  82   9.798 -27.607 -12.427
  663   1HZ   LYS  82          HZ1       LYS  82  11.242 -25.738 -12.326
  664   2HZ   LYS  82          HZ2       LYS  82  10.861 -25.933 -13.892
  665   3HZ   LYS  82          HZ3       LYS  82  10.186 -24.713 -13.021
  666    H    GLU  83           H        GLU  83   3.462 -27.318 -13.814
  667    HA   GLU  83           HA       GLU  83   4.553 -27.836 -16.368
  668   1HB   GLU  83          HB2       GLU  83   1.765 -28.203 -15.217
  669   2HB   GLU  83          HB3       GLU  83   2.118 -28.577 -16.906
  670   1HG   GLU  83          HG2       GLU  83   3.875 -30.149 -16.276
  671   2HG   GLU  83          HG3       GLU  83   3.654 -29.791 -14.572
  672    H    THR  84           H        THR  84   1.897 -25.512 -15.467
  673    HA   THR  84           HA       THR  84   1.659 -24.570 -18.140
  674    HB   THR  84           HB       THR  84   1.132 -22.922 -15.663
  675    HG1  THR  84           HG1      THR  84   0.179 -24.823 -15.160
  676   1HG2  THR  84          HG21      THR  84  -0.843 -22.132 -16.948
  677   2HG2  THR  84          HG22      THR  84   0.674 -21.816 -17.808
  678   3HG2  THR  84          HG23      THR  84  -0.359 -23.172 -18.308
  679    H    ALA  85           H        ALA  85   3.929 -23.669 -15.534
  680    HA   ALA  85           HA       ALA  85   4.954 -21.334 -16.830
  681   1HB   ALA  85          HB1       ALA  85   6.329 -23.281 -14.923
  682   2HB   ALA  85          HB2       ALA  85   6.959 -21.717 -15.416
  683   3HB   ALA  85          HB3       ALA  85   5.455 -21.797 -14.472
  684    H    ALA  86           H        ALA  86   5.622 -24.832 -17.208
  685    HA   ALA  86           HA       ALA  86   7.950 -24.420 -18.898
  686   1HB   ALA  86          HB1       ALA  86   7.739 -26.821 -19.355
  687   2HB   ALA  86          HB2       ALA  86   7.590 -26.520 -17.611
  688   3HB   ALA  86          HB3       ALA  86   6.143 -26.867 -18.586
  689    H    GLU  87           H        GLU  87   4.426 -24.945 -19.358
  690    HA   GLU  87           HA       GLU  87   4.579 -25.185 -22.176
  691   1HB   GLU  87          HB2       GLU  87   2.319 -24.447 -20.283
  692   2HB   GLU  87          HB3       GLU  87   2.059 -24.559 -22.016
  693   1HG   GLU  87          HG2       GLU  87   3.149 -26.859 -20.341
  694   2HG   GLU  87          HG3       GLU  87   1.450 -26.625 -20.720
  695    H    HIS  88           H        HIS  88   4.743 -22.320 -20.195
  696    HA   HIS  88           HA       HIS  88   4.503 -20.629 -22.644
  697   1HB   HIS  88          HB2       HIS  88   3.734 -20.104 -19.766
  698   2HB   HIS  88          HB3       HIS  88   3.906 -18.817 -20.964
  699    HD1  HIS  88           HD1      HIS  88   1.994 -18.631 -22.837
  700    HD2  HIS  88           HD2      HIS  88   1.664 -21.893 -20.199
  701    HE1  HIS  88           HE1      HIS  88  -0.313 -19.633 -23.218
  702    H    ASP  89           H        ASP  89   6.874 -22.055 -21.038
  703    HA   ASP  89           HA       ASP  89   9.081 -21.718 -20.908
  704   1HB   ASP  89          HB2       ASP  89   8.699 -21.207 -23.311
  705   2HB   ASP  89          HB3       ASP  89   8.667 -19.483 -22.929
  706    H    ILE  90           H        ILE  90   7.695 -20.691 -18.864
  707    HA   ILE  90           HA       ILE  90   8.727 -18.023 -18.117
  708    HB   ILE  90           HB       ILE  90   6.796 -19.927 -16.724
  709   1HG1  ILE  90          HG12      ILE  90   6.167 -17.558 -18.525
  710   2HG1  ILE  90          HG13      ILE  90   5.817 -19.260 -18.833
  711   1HG2  ILE  90          HG21      ILE  90   7.194 -16.977 -16.253
  712   2HG2  ILE  90          HG22      ILE  90   6.201 -18.093 -15.282
  713   3HG2  ILE  90          HG23      ILE  90   7.961 -18.237 -15.259
  714   1HD1  ILE  90          HD11      ILE  90   4.348 -19.242 -16.744
  715   2HD1  ILE  90          HD12      ILE  90   4.479 -17.468 -16.800
  716   3HD1  ILE  90          HD13      ILE  90   3.776 -18.365 -18.158
  717    H    THR  91           H        THR  91  10.946 -18.422 -17.684
  718    HA   THR  91           HA       THR  91  11.588 -20.645 -15.804
  719    HB   THR  91           HB       THR  91  13.767 -20.688 -16.918
  720    HG1  THR  91           HG1      THR  91  14.105 -18.737 -17.723
  721   1HG2  THR  91          HG21      THR  91  11.508 -20.809 -18.965
  722   2HG2  THR  91          HG22      THR  91  13.078 -21.629 -19.040
  723   3HG2  THR  91          HG23      THR  91  11.898 -22.098 -17.804
  724    H    GLN  92           H        GLN  92  11.326 -17.276 -15.775
  725    HA   GLN  92           HA       GLN  92  13.643 -16.631 -14.176
  726   1HB   GLN  92          HB2       GLN  92  12.711 -14.510 -13.928
  727   2HB   GLN  92          HB3       GLN  92  12.197 -14.988 -15.523
  728   1HG   GLN  92          HG2       GLN  92  10.488 -14.968 -12.989
  729   2HG   GLN  92          HG3       GLN  92  10.434 -13.812 -14.290
  730   1HE2  GLN  92          HE22      GLN  92   8.227 -15.283 -13.268
  731   2HE2  GLN  92          HE21      GLN  92   7.633 -16.301 -14.555
  732    HA   PRO  93           HA       PRO  93  12.416 -18.010 -10.085
  733   1HB   PRO  93          HB2       PRO  93  12.440 -15.070  -9.315
  734   2HB   PRO  93          HB3       PRO  93  13.090 -16.480  -8.413
  735   1HG   PRO  93          HG2       PRO  93  14.763 -14.917  -9.854
  736   2HG   PRO  93          HG3       PRO  93  14.920 -16.702  -9.953
  737   1HD   PRO  93          HD2       PRO  93  13.559 -14.816 -11.882
  738   2HD   PRO  93          HD3       PRO  93  14.642 -16.197 -12.233
  739    H    ILE  94           H        ILE  94  10.445 -18.525  -9.245
  740    HA   ILE  94           HA       ILE  94   8.178 -16.647  -9.612
  741    HB   ILE  94           HB       ILE  94   8.139 -19.676  -9.584
  742   1HG1  ILE  94          HG12      ILE  94   8.439 -17.796 -11.856
  743   2HG1  ILE  94          HG13      ILE  94   8.911 -19.454 -11.647
  744   1HG2  ILE  94          HG21      ILE  94   6.109 -18.896  -8.584
  745   2HG2  ILE  94          HG22      ILE  94   5.860 -17.673  -9.841
  746   3HG2  ILE  94          HG23      ILE  94   5.684 -19.395 -10.196
  747   1HD1  ILE  94          HD11      ILE  94   7.395 -19.329 -13.456
  748   2HD1  ILE  94          HD12      ILE  94   6.509 -20.113 -12.149
  749   3HD1  ILE  94          HD13      ILE  94   6.230 -18.378 -12.534
  750    H    PHE  95           H        PHE  95   6.789 -16.500  -7.873
  751    HA   PHE  95           HA       PHE  95   7.809 -17.410  -5.243
  752   1HB   PHE  95          HB2       PHE  95   8.185 -14.945  -6.160
  753   2HB   PHE  95          HB3       PHE  95   6.518 -14.718  -5.681
  754    HD1  PHE  95           HD1      PHE  95   9.949 -14.866  -4.637
  755    HD2  PHE  95           HD2      PHE  95   5.899 -15.317  -3.200
  756    HE1  PHE  95           HE1      PHE  95  10.746 -14.651  -2.292
  757    HE2  PHE  95           HE2      PHE  95   6.713 -15.082  -0.867
  758    HZ   PHE  95           HZ       PHE  95   9.140 -14.777  -0.414
  759    H    VAL  96           H        VAL  96   6.323 -19.127  -5.174
  760    HA   VAL  96           HA       VAL  96   3.514 -18.788  -5.762
  761    HB   VAL  96           HB       VAL  96   4.767 -20.892  -3.969
  762   1HG1  VAL  96          HG11      VAL  96   2.917 -22.325  -4.929
  763   2HG1  VAL  96          HG12      VAL  96   2.343 -21.006  -3.926
  764   3HG1  VAL  96          HG13      VAL  96   2.254 -20.873  -5.701
  765   1HG2  VAL  96          HG21      VAL  96   6.081 -20.962  -6.013
  766   2HG2  VAL  96          HG22      VAL  96   4.940 -22.297  -6.077
  767   3HG2  VAL  96          HG23      VAL  96   4.616 -20.830  -7.017
  768    H    ASP  97           H        ASP  97   1.800 -18.990  -3.978
  769    HA   ASP  97           HA       ASP  97   2.570 -17.530  -1.510
  770   1HB   ASP  97          HB2       ASP  97   1.594 -15.948  -3.221
  771   2HB   ASP  97          HB3       ASP  97   0.097 -16.882  -3.147
  772    H    SER  98           H        SER  98   1.203 -18.082   0.279
  773    HA   SER  98           HA       SER  98   0.402 -20.776   0.465
  774   1HB   SER  98          HB2       SER  98  -0.661 -18.600   2.254
  775   2HB   SER  98          HB3       SER  98  -0.062 -20.211   2.676
  776    HG   SER  98           HG       SER  98   1.323 -18.423   3.256
  777    H    ASP  99           H        ASP  99  -1.391 -17.745  -0.169
  778    HA   ASP  99           HA       ASP  99  -3.504 -19.002  -1.553
  779   1HB   ASP  99          HB2       ASP  99  -4.339 -19.744   0.647
  780   2HB   ASP  99          HB3       ASP  99  -4.343 -18.072   1.214
  781    H    HIS 100           H        HIS 100  -2.583 -16.194   0.502
  782    HA   HIS 100           HA       HIS 100  -3.011 -14.322  -1.636
  783   1HB   HIS 100          HB2       HIS 100  -4.798 -13.005  -0.522
  784   2HB   HIS 100          HB3       HIS 100  -5.359 -14.601  -0.960
  785    HD1  HIS 100           HD1      HIS 100  -6.214 -16.150   1.034
  786    HD2  HIS 100           HD2      HIS 100  -4.268 -12.605   2.211
  787    HE1  HIS 100           HE1      HIS 100  -6.577 -15.926   3.547
  788    H    ALA 101           H        ALA 101  -0.950 -15.124   0.668
  789    HA   ALA 101           HA       ALA 101  -1.201 -13.173   2.735
  790   1HB   ALA 101          HB1       ALA 101   0.048 -15.301   2.978
  791   2HB   ALA 101          HB2       ALA 101   1.283 -14.704   1.843
  792   3HB   ALA 101          HB3       ALA 101   1.030 -13.889   3.407
  793    H    LEU 102           H        LEU 102   1.140 -13.156  -0.076
  794    HA   LEU 102           HA       LEU 102   2.109 -10.504   0.583
  795   1HB   LEU 102          HB2       LEU 102   3.136 -12.352  -0.967
  796   2HB   LEU 102          HB3       LEU 102   2.101 -11.684  -2.206
  797    HG   LEU 102           HG       LEU 102   4.464 -10.378  -0.769
  798   1HD1  LEU 102          HD11      LEU 102   5.394 -10.203  -3.040
  799   2HD1  LEU 102          HD12      LEU 102   4.964 -11.881  -2.665
  800   3HD1  LEU 102          HD13      LEU 102   3.930 -10.902  -3.727
  801   1HD2  LEU 102          HD21      LEU 102   2.979  -8.499  -0.961
  802   2HD2  LEU 102          HD22      LEU 102   4.117  -8.382  -2.297
  803   3HD2  LEU 102          HD23      LEU 102   2.483  -8.966  -2.601
  804    H    THR 103           H        THR 103  -0.717 -11.794  -1.169
  805    HA   THR 103           HA       THR 103  -1.365  -9.498  -2.714
  806    HB   THR 103           HB       THR 103  -3.382 -11.479  -1.616
  807    HG1  THR 103           HG1      THR 103  -2.653 -12.881  -3.351
  808   1HG2  THR 103          HG21      THR 103  -3.966  -9.614  -3.196
  809   2HG2  THR 103          HG22      THR 103  -2.969 -10.461  -4.411
  810   3HG2  THR 103          HG23      THR 103  -4.409 -11.255  -3.728
  811    H    ASP 104           H        ASP 104  -2.109 -10.507   0.629
  812    HA   ASP 104           HA       ASP 104  -3.979  -8.269   1.057
  813   1HB   ASP 104          HB2       ASP 104  -4.428 -10.399   2.113
  814   2HB   ASP 104          HB3       ASP 104  -2.803 -10.481   2.803
  815    H    ALA 105           H        ALA 105  -0.578  -8.908   1.282
  816    HA   ALA 105           HA       ALA 105  -0.017  -7.055   3.449
  817   1HB   ALA 105          HB1       ALA 105   1.496  -9.018   2.834
  818   2HB   ALA 105          HB2       ALA 105   1.929  -8.134   1.344
  819   3HB   ALA 105          HB3       ALA 105   2.330  -7.454   2.922
  820    H    PHE 106           H        PHE 106  -0.346  -6.909  -0.021
  821    HA   PHE 106           HA       PHE 106   0.105  -3.989   0.112
  822   1HB   PHE 106          HB2       PHE 106   1.604  -3.960  -1.508
  823   2HB   PHE 106          HB3       PHE 106   2.098  -5.339  -0.606
  824    HD1  PHE 106           HD1      PHE 106  -0.233  -7.089  -2.251
  825    HD2  PHE 106           HD2      PHE 106   3.163  -4.598  -3.212
  826    HE1  PHE 106           HE1      PHE 106   0.045  -8.271  -4.403
  827    HE2  PHE 106           HE2      PHE 106   3.409  -5.776  -5.377
  828    HZ   PHE 106           HZ       PHE 106   1.825  -7.575  -5.990
  829    H    GLU 107           H        GLU 107  -2.242  -5.789   0.014
  830    HA   GLU 107           HA       GLU 107  -4.286  -5.989  -0.927
  831   1HB   GLU 107          HB2       GLU 107  -3.761  -3.015  -0.787
  832   2HB   GLU 107          HB3       GLU 107  -5.380  -3.724  -0.981
  833   1HG   GLU 107          HG2       GLU 107  -5.064  -4.984   1.141
  834   2HG   GLU 107          HG3       GLU 107  -3.500  -4.199   1.368
  835    H    ASN 108           H        ASN 108  -2.668  -6.714  -2.946
  836    HA   ASN 108           HA       ASN 108  -2.837  -5.439  -5.387
  837   1HB   ASN 108          HB2       ASN 108  -1.452  -7.176  -5.417
  838   2HB   ASN 108          HB3       ASN 108  -2.406  -8.187  -4.346
  839   1HD2  ASN 108          HD22      ASN 108  -1.507  -7.578  -7.607
  840   2HD2  ASN 108          HD21      ASN 108  -2.646  -8.716  -8.331
  841    H    GLU 109           H        GLU 109  -5.200  -7.801  -4.134
  842    HA   GLU 109           HA       GLU 109  -7.312  -8.278  -4.504
  843   1HB   GLU 109          HB2       GLU 109  -7.477  -5.376  -5.375
  844   2HB   GLU 109          HB3       GLU 109  -8.880  -6.403  -5.127
  845   1HG   GLU 109          HG2       GLU 109  -6.832  -5.757  -2.963
  846   2HG   GLU 109          HG3       GLU 109  -8.358  -4.921  -3.199
  847    H    TYR 110           H        TYR 110  -5.432  -7.702  -7.249
  848    HA   TYR 110           HA       TYR 110  -7.408  -9.115  -8.984
  849   1HB   TYR 110          HB2       TYR 110  -6.001  -6.521  -9.738
  850   2HB   TYR 110          HB3       TYR 110  -6.906  -7.558 -10.840
  851    HD1  TYR 110           HD1      TYR 110  -7.133  -5.201  -8.019
  852    HD2  TYR 110           HD2      TYR 110  -9.350  -7.690 -10.737
  853    HE1  TYR 110           HE1      TYR 110  -9.217  -3.977  -7.408
  854    HE2  TYR 110           HE2      TYR 110 -11.455  -6.489 -10.140
  855    HH   TYR 110           HH       TYR 110 -11.517  -3.794  -7.756
  856    H    VAL 111           H        VAL 111  -6.393 -10.586 -10.325
  857    HA   VAL 111           HA       VAL 111  -3.654 -11.001  -9.474
  858    HB   VAL 111           HB       VAL 111  -5.272 -12.822 -11.268
  859   1HG1  VAL 111          HG11      VAL 111  -3.487 -14.457 -10.306
  860   2HG1  VAL 111          HG12      VAL 111  -2.944 -13.316 -11.556
  861   3HG1  VAL 111          HG13      VAL 111  -2.568 -13.001  -9.867
  862   1HG2  VAL 111          HG21      VAL 111  -6.350 -12.583  -9.083
  863   2HG2  VAL 111          HG22      VAL 111  -5.478 -14.120  -9.106
  864   3HG2  VAL 111          HG23      VAL 111  -4.780 -12.716  -8.264
  865    HA   PRO 112           HA       PRO 112  -2.047 -10.550 -13.809
  866   1HB   PRO 112          HB2       PRO 112  -3.428  -9.330 -15.831
  867   2HB   PRO 112          HB3       PRO 112  -3.498 -11.085 -15.476
  868   1HG   PRO 112          HG2       PRO 112  -5.457  -8.935 -14.593
  869   2HG   PRO 112          HG3       PRO 112  -5.824 -10.522 -15.339
  870   1HD   PRO 112          HD2       PRO 112  -5.931 -10.134 -12.643
  871   2HD   PRO 112          HD3       PRO 112  -5.352 -11.676 -13.344
  872    H    ALA 113           H        ALA 113  -1.090  -9.241 -12.224
  873    HA   ALA 113           HA       ALA 113  -1.394  -6.291 -12.569
  874   1HB   ALA 113          HB1       ALA 113  -1.318  -6.158 -10.073
  875   2HB   ALA 113          HB2       ALA 113  -2.752  -7.022 -10.661
  876   3HB   ALA 113          HB3       ALA 113  -1.390  -7.943 -10.012
  877    H    TYR 114           H        TYR 114   0.427  -5.051 -11.923
  878    HA   TYR 114           HA       TYR 114   2.987  -6.548 -11.833
  879   1HB   TYR 114          HB2       TYR 114   3.163  -4.566 -13.881
  880   2HB   TYR 114          HB3       TYR 114   3.357  -6.301 -14.014
  881    HD1  TYR 114           HD1      TYR 114   1.524  -7.755 -14.793
  882    HD2  TYR 114           HD2      TYR 114   1.023  -3.484 -14.514
  883    HE1  TYR 114           HE1      TYR 114  -0.614  -7.939 -16.011
  884    HE2  TYR 114           HE2      TYR 114  -1.129  -3.656 -15.765
  885    HH   TYR 114           HH       TYR 114  -2.473  -6.812 -16.816
  886    H    TYR 115           H        TYR 115   4.593  -5.434 -10.910
  887    HA   TYR 115           HA       TYR 115   4.127  -2.657  -9.960
  888   1HB   TYR 115          HB2       TYR 115   5.057  -5.028  -8.287
  889   2HB   TYR 115          HB3       TYR 115   4.739  -3.397  -7.720
  890    HD1  TYR 115           HD1      TYR 115   3.120  -6.475  -9.133
  891    HD2  TYR 115           HD2      TYR 115   2.571  -2.900  -6.776
  892    HE1  TYR 115           HE1      TYR 115   0.764  -7.112  -8.724
  893    HE2  TYR 115           HE2      TYR 115   0.232  -3.628  -6.252
  894    HH   TYR 115           HH       TYR 115  -1.488  -4.954  -6.965
  895    H    VAL 116           H        VAL 116   5.889  -1.488 -10.550
  896    HA   VAL 116           HA       VAL 116   8.373  -2.963 -11.276
  897    HB   VAL 116           HB       VAL 116   7.406  -0.316 -12.420
  898   1HG1  VAL 116          HG11      VAL 116   9.492  -2.347 -13.361
  899   2HG1  VAL 116          HG12      VAL 116   9.105  -0.791 -14.136
  900   3HG1  VAL 116          HG13      VAL 116   9.858  -0.826 -12.532
  901   1HG2  VAL 116          HG21      VAL 116   6.802  -1.587 -14.473
  902   2HG2  VAL 116          HG22      VAL 116   7.064  -3.109 -13.591
  903   3HG2  VAL 116          HG23      VAL 116   5.760  -1.998 -13.112
  904    H    PHE 117           H        PHE 117   9.788  -2.726  -9.710
  905    HA   PHE 117           HA       PHE 117   9.843  -0.279  -8.019
  906   1HB   PHE 117          HB2       PHE 117  11.076  -3.049  -7.637
  907   2HB   PHE 117          HB3       PHE 117  11.317  -1.693  -6.559
  908    HD1  PHE 117           HD1      PHE 117   9.805  -1.337  -4.734
  909    HD2  PHE 117           HD2      PHE 117   8.578  -3.850  -8.018
  910    HE1  PHE 117           HE1      PHE 117   7.800  -1.976  -3.496
  911    HE2  PHE 117           HE2      PHE 117   6.635  -4.592  -6.714
  912    HZ   PHE 117           HZ       PHE 117   6.192  -3.635  -4.457
  913    H    ASP 118           H        ASP 118  11.699   1.000  -8.019
  914    HA   ASP 118           HA       ASP 118  13.445   0.824 -10.362
  915   1HB   ASP 118          HB2       ASP 118  12.592   2.959  -9.325
  916   2HB   ASP 118          HB3       ASP 118  13.645   2.623  -7.945
  917    H    LYS 119           H        LYS 119  15.945   1.135  -9.770
  918    HA   LYS 119           HA       LYS 119  16.823  -1.342  -8.600
  919   1HB   LYS 119          HB2       LYS 119  19.096  -0.421  -8.892
  920   2HB   LYS 119          HB3       LYS 119  18.134  -0.315 -10.357
  921   1HG   LYS 119          HG2       LYS 119  18.064   1.960 -10.371
  922   2HG   LYS 119          HG3       LYS 119  18.062   2.128  -8.619
  923   1HD   LYS 119          HD2       LYS 119  20.540   1.276 -10.180
  924   2HD   LYS 119          HD3       LYS 119  20.113   2.959  -9.825
  925   1HE   LYS 119          HE2       LYS 119  20.054   2.453  -7.391
  926   2HE   LYS 119          HE3       LYS 119  20.541   0.787  -7.710
  927   1HZ   LYS 119          HZ1       LYS 119  22.637   1.622  -8.574
  928   2HZ   LYS 119          HZ2       LYS 119  22.153   3.182  -8.424
  929   3HZ   LYS 119          HZ3       LYS 119  22.398   2.254  -7.091
  930    H    THR 120           H        THR 120  15.832   1.483  -7.009
  931    HA   THR 120           HA       THR 120  17.516   1.345  -4.655
  932    HB   THR 120           HB       THR 120  15.760   3.004  -3.900
  933    HG1  THR 120           HG1      THR 120  14.178   3.537  -5.496
  934   1HG2  THR 120          HG21      THR 120  17.710   3.765  -5.300
  935   2HG2  THR 120          HG22      THR 120  16.688   3.574  -6.746
  936   3HG2  THR 120          HG23      THR 120  16.247   4.755  -5.496
  937    H    GLY 121           H        GLY 121  14.875  -0.462  -5.905
  938   1HA   GLY 121          HA2       GLY 121  13.642  -2.191  -4.993
  939   2HA   GLY 121          HA3       GLY 121  14.348  -1.891  -3.394
  940    H    GLN 122           H        GLN 122  13.044   0.909  -5.082
  941    HA   GLN 122           HA       GLN 122  10.735   0.923  -3.197
  942   1HB   GLN 122          HB2       GLN 122  12.048   3.307  -4.556
  943   2HB   GLN 122          HB3       GLN 122  10.843   3.322  -3.271
  944   1HG   GLN 122          HG2       GLN 122  13.765   2.522  -3.086
  945   2HG   GLN 122          HG3       GLN 122  12.991   3.899  -2.331
  946   1HE2  GLN 122          HE22      GLN 122  14.212   0.830  -1.739
  947   2HE2  GLN 122          HE21      GLN 122  13.302   0.454  -0.291
  948    H    LEU 123           H        LEU 123   8.714   1.284  -4.050
  949    HA   LEU 123           HA       LEU 123   8.302   0.300  -6.667
  950   1HB   LEU 123          HB2       LEU 123   6.740  -0.019  -4.761
  951   2HB   LEU 123          HB3       LEU 123   6.390   1.707  -4.748
  952    HG   LEU 123           HG       LEU 123   5.392   1.589  -6.950
  953   1HD1  LEU 123          HD11      LEU 123   6.631  -0.170  -8.107
  954   2HD1  LEU 123          HD12      LEU 123   6.237  -1.364  -6.878
  955   3HD1  LEU 123          HD13      LEU 123   4.983  -0.757  -7.980
  956   1HD2  LEU 123          HD21      LEU 123   4.030   1.037  -4.939
  957   2HD2  LEU 123          HD22      LEU 123   3.409   0.337  -6.438
  958   3HD2  LEU 123          HD23      LEU 123   4.288  -0.692  -5.293
  959    H    ARG 124           H        ARG 124   8.275   1.337  -8.618
  960    HA   ARG 124           HA       ARG 124   8.297   4.299  -8.592
  961   1HB   ARG 124          HB2       ARG 124   9.992   2.487  -9.813
  962   2HB   ARG 124          HB3       ARG 124   8.875   2.826 -11.127
  963   1HG   ARG 124          HG2       ARG 124  10.546   4.824  -9.540
  964   2HG   ARG 124          HG3       ARG 124  10.818   4.304 -11.203
  965   1HD   ARG 124          HD2       ARG 124   8.631   5.369 -11.855
  966   2HD   ARG 124          HD3       ARG 124   8.451   5.941 -10.197
  967    HE   ARG 124           HE       ARG 124  10.206   7.439 -10.421
  968   1HH1  ARG 124          HH21      ARG 124   9.618   5.768 -13.513
  969   2HH1  ARG 124          HH22      ARG 124  10.575   6.892 -14.440
  970   1HH2  ARG 124          HH11      ARG 124  11.448   8.902 -11.675
  971   2HH2  ARG 124          HH12      ARG 124  11.637   8.659 -13.385
  972    H    HIS 125           H        HIS 125   6.569   1.482 -10.114
  973    HA   HIS 125           HA       HIS 125   4.204   3.170 -10.454
  974   1HB   HIS 125          HB2       HIS 125   5.709   3.483 -12.525
  975   2HB   HIS 125          HB3       HIS 125   5.424   1.779 -12.872
  976    HD1  HIS 125           HD1      HIS 125   3.656   5.181 -12.891
  977    HD2  HIS 125           HD2      HIS 125   2.908   1.112 -13.631
  978    HE1  HIS 125           HE1      HIS 125   1.404   5.085 -14.065
  979    H    PHE 126           H        PHE 126   2.274   1.758 -10.784
  980    HA   PHE 126           HA       PHE 126   2.730  -1.058 -11.192
  981   1HB   PHE 126          HB2       PHE 126   2.202  -1.936  -9.211
  982   2HB   PHE 126          HB3       PHE 126   2.659  -0.402  -8.526
  983    HD1  PHE 126           HD1      PHE 126   0.887   1.137  -7.649
  984    HD2  PHE 126           HD2      PHE 126  -0.098  -2.687  -9.389
  985    HE1  PHE 126           HE1      PHE 126  -1.403   1.289  -6.703
  986    HE2  PHE 126           HE2      PHE 126  -2.393  -2.519  -8.472
  987    HZ   PHE 126           HZ       PHE 126  -3.050  -0.531  -7.117
  988    H    GLN 127           H        GLN 127   0.719  -2.156 -11.774
  989    HA   GLN 127           HA       GLN 127  -1.761  -0.638 -11.931
  990   1HB   GLN 127          HB2       GLN 127  -0.423  -1.725 -14.446
  991   2HB   GLN 127          HB3       GLN 127  -2.105  -1.246 -14.354
  992   1HG   GLN 127          HG2       GLN 127   0.287   0.601 -14.037
  993   2HG   GLN 127          HG3       GLN 127  -0.726   0.464 -15.457
  994   1HE2  GLN 127          HE22      GLN 127  -0.178   2.809 -13.666
  995   2HE2  GLN 127          HE21      GLN 127  -1.768   3.406 -13.218
  996    H    ALA 128           H        ALA 128  -3.475  -2.144 -12.922
  997    HA   ALA 128           HA       ALA 128  -2.849  -4.977 -12.981
  998   1HB   ALA 128          HB1       ALA 128  -4.683  -5.591 -11.478
  999   2HB   ALA 128          HB2       ALA 128  -3.486  -4.594 -10.602
 1000   3HB   ALA 128          HB3       ALA 128  -5.012  -3.866 -11.148
 1001    H    GLY 129           H        GLY 129  -3.961  -5.891 -14.577
 1002   1HA   GLY 129          HA2       GLY 129  -5.317  -6.131 -16.396
 1003   2HA   GLY 129          HA3       GLY 129  -6.400  -4.874 -15.789
 1004    H    GLY 130           H        GLY 130  -5.470  -5.264 -18.524
 1005   1HA   GLY 130          HA2       GLY 130  -5.272  -2.707 -19.469
 1006   2HA   GLY 130          HA3       GLY 130  -3.582  -3.211 -19.258
 1007    H    SER 131           H        SER 131  -4.772  -2.712 -21.827
 1008    HA   SER 131           HA       SER 131  -5.801  -4.925 -23.166
 1009   1HB   SER 131          HB2       SER 131  -4.032  -2.736 -24.324
 1010   2HB   SER 131          HB3       SER 131  -5.254  -3.698 -25.178
 1011    HG   SER 131           HG       SER 131  -6.034  -1.627 -24.562
 1012    H    GLY 132           H        GLY 132  -4.812  -6.890 -22.893
 1013   1HA   GLY 132          HA2       GLY 132  -3.248  -8.540 -22.832
 1014   2HA   GLY 132          HA3       GLY 132  -2.492  -7.767 -24.234
 1015    H    MET 133           H        MET 133  -2.854  -6.213 -21.061
 1016    HA   MET 133           HA       MET 133  -1.395  -4.921 -19.972
 1017   1HB   MET 133          HB2       MET 133   0.128  -6.017 -18.592
 1018   2HB   MET 133          HB3       MET 133  -1.271  -7.073 -18.800
 1019   1HG   MET 133          HG2       MET 133  -0.045  -8.577 -20.203
 1020   2HG   MET 133          HG3       MET 133   1.266  -7.412 -20.410
 1021   1HE   MET 133          HE1       MET 133   3.359  -7.792 -19.473
 1022   2HE   MET 133          HE2       MET 133   3.723  -9.129 -18.342
 1023   3HE   MET 133          HE3       MET 133   2.909  -9.453 -19.890
 1024    H    LYS 134           H        LYS 134  -0.860  -4.867 -22.940
 1025    HA   LYS 134           HA       LYS 134   1.889  -5.065 -23.452
 1026   1HB   LYS 134          HB2       LYS 134   0.081  -5.027 -25.150
 1027   2HB   LYS 134          HB3       LYS 134  -0.212  -3.322 -24.819
 1028   1HG   LYS 134          HG2       LYS 134   1.043  -3.625 -26.877
 1029   2HG   LYS 134          HG3       LYS 134   2.005  -2.729 -25.704
 1030   1HD   LYS 134          HD2       LYS 134   3.370  -4.700 -25.224
 1031   2HD   LYS 134          HD3       LYS 134   2.298  -5.726 -26.209
 1032   1HE   LYS 134          HE2       LYS 134   2.878  -4.414 -28.223
 1033   2HE   LYS 134          HE3       LYS 134   3.918  -3.358 -27.257
 1034   1HZ   LYS 134          HZ1       LYS 134   4.371  -6.266 -27.600
 1035   2HZ   LYS 134          HZ2       LYS 134   5.149  -5.096 -28.427
 1036   3HZ   LYS 134          HZ3       LYS 134   5.366  -5.209 -26.814
 1037    H    MET 135           H        MET 135   0.059  -2.296 -22.215
 1038    HA   MET 135           HA       MET 135   2.066  -0.304 -22.403
 1039   1HB   MET 135          HB2       MET 135   0.786   0.614 -20.305
 1040   2HB   MET 135          HB3       MET 135   0.019   0.581 -21.880
 1041   1HG   MET 135          HG2       MET 135  -1.477  -0.085 -20.028
 1042   2HG   MET 135          HG3       MET 135  -1.367  -1.249 -21.329
 1043   1HE   MET 135          HE1       MET 135  -0.478  -0.443 -17.595
 1044   2HE   MET 135          HE2       MET 135   0.426  -1.891 -17.092
 1045   3HE   MET 135          HE3       MET 135   1.153  -0.748 -18.235
 1046    H    LEU 136           H        LEU 136   2.051  -3.099 -20.291
 1047    HA   LEU 136           HA       LEU 136   3.655  -2.000 -18.210
 1048   1HB   LEU 136          HB2       LEU 136   2.457  -4.181 -18.065
 1049   2HB   LEU 136          HB3       LEU 136   3.542  -4.854 -19.291
 1050    HG   LEU 136           HG       LEU 136   5.485  -4.541 -17.782
 1051   1HD1  LEU 136          HD11      LEU 136   4.894  -2.617 -16.468
 1052   2HD1  LEU 136          HD12      LEU 136   3.416  -3.398 -15.866
 1053   3HD1  LEU 136          HD13      LEU 136   5.024  -3.972 -15.358
 1054   1HD2  LEU 136          HD21      LEU 136   3.128  -6.019 -16.580
 1055   2HD2  LEU 136          HD22      LEU 136   4.279  -6.627 -17.764
 1056   3HD2  LEU 136          HD23      LEU 136   4.838  -6.260 -16.134
 1057    H    GLU 137           H        GLU 137   4.404  -3.332 -21.423
 1058    HA   GLU 137           HA       GLU 137   7.215  -3.510 -21.271
 1059   1HB   GLU 137          HB2       GLU 137   5.605  -4.139 -23.199
 1060   2HB   GLU 137          HB3       GLU 137   5.657  -2.417 -23.652
 1061   1HG   GLU 137          HG2       GLU 137   8.151  -2.594 -23.844
 1062   2HG   GLU 137          HG3       GLU 137   8.042  -4.317 -23.466
 1063    H    LYS 138           H        LYS 138   5.038  -0.701 -21.757
 1064    HA   LYS 138           HA       LYS 138   7.274   1.129 -22.223
 1065   1HB   LYS 138          HB2       LYS 138   4.289   1.517 -21.846
 1066   2HB   LYS 138          HB3       LYS 138   5.418   2.882 -21.865
 1067   1HG   LYS 138          HG2       LYS 138   6.272   2.299 -24.028
 1068   2HG   LYS 138          HG3       LYS 138   5.399   0.744 -24.040
 1069   1HD   LYS 138          HD2       LYS 138   4.259   2.277 -25.491
 1070   2HD   LYS 138          HD3       LYS 138   3.241   1.964 -24.075
 1071   1HE   LYS 138          HE2       LYS 138   3.951   4.133 -23.086
 1072   2HE   LYS 138          HE3       LYS 138   5.026   4.418 -24.461
 1073   1HZ   LYS 138          HZ1       LYS 138   3.069   4.487 -25.893
 1074   2HZ   LYS 138          HZ2       LYS 138   2.072   4.222 -24.626
 1075   3HZ   LYS 138          HZ3       LYS 138   2.939   5.598 -24.711
 1076    H    ARG 139           H        ARG 139   5.218   0.265 -19.377
 1077    HA   ARG 139           HA       ARG 139   6.334   2.384 -17.772
 1078   1HB   ARG 139          HB2       ARG 139   5.364  -0.347 -16.778
 1079   2HB   ARG 139          HB3       ARG 139   5.583   1.101 -15.808
 1080   1HG   ARG 139          HG2       ARG 139   3.437   0.600 -17.899
 1081   2HG   ARG 139          HG3       ARG 139   3.251   0.747 -16.156
 1082   1HD   ARG 139          HD2       ARG 139   4.133   3.135 -16.373
 1083   2HD   ARG 139          HD3       ARG 139   3.997   2.955 -18.127
 1084    HE   ARG 139           HE       ARG 139   1.843   3.033 -16.089
 1085   1HH1  ARG 139          HH21      ARG 139   2.612   2.768 -19.548
 1086   2HH1  ARG 139          HH22      ARG 139   1.044   3.259 -20.079
 1087   1HH2  ARG 139          HH11      ARG 139  -0.255   3.622 -16.792
 1088   2HH2  ARG 139          HH12      ARG 139  -0.642   3.689 -18.468
 1089    H    VAL 140           H        VAL 140   7.349  -0.996 -18.315
 1090    HA   VAL 140           HA       VAL 140   9.567  -1.014 -16.490
 1091    HB   VAL 140           HB       VAL 140   8.917  -2.448 -19.100
 1092   1HG1  VAL 140          HG11      VAL 140  11.262  -3.085 -17.298
 1093   2HG1  VAL 140          HG12      VAL 140  10.676  -4.049 -18.688
 1094   3HG1  VAL 140          HG13      VAL 140  11.339  -2.456 -18.960
 1095   1HG2  VAL 140          HG21      VAL 140   8.987  -3.454 -16.193
 1096   2HG2  VAL 140          HG22      VAL 140   7.508  -3.037 -17.070
 1097   3HG2  VAL 140          HG23      VAL 140   8.488  -4.405 -17.604
 1098    H    ASN 141           H        ASN 141   9.207  -0.279 -20.046
 1099    HA   ASN 141           HA       ASN 141  11.957   0.110 -20.206
 1100   1HB   ASN 141          HB2       ASN 141   9.750   0.852 -22.099
 1101   2HB   ASN 141          HB3       ASN 141  11.333   1.617 -22.291
 1102   1HD2  ASN 141          HD22      ASN 141   9.792  -1.632 -22.138
 1103   2HD2  ASN 141          HD21      ASN 141  11.097  -2.434 -23.018
 1104    H    ARG 142           H        ARG 142   9.407   2.390 -19.286
 1105    HA   ARG 142           HA       ARG 142  11.000   4.760 -19.544
 1106   1HB   ARG 142          HB2       ARG 142   8.653   4.112 -17.737
 1107   2HB   ARG 142          HB3       ARG 142   9.390   5.695 -17.860
 1108   1HG   ARG 142          HG2       ARG 142   7.275   4.667 -19.357
 1109   2HG   ARG 142          HG3       ARG 142   8.066   6.231 -19.514
 1110   1HD   ARG 142          HD2       ARG 142   8.833   3.776 -21.119
 1111   2HD   ARG 142          HD3       ARG 142   7.684   4.975 -21.647
 1112    HE   ARG 142           HE       ARG 142   9.815   6.545 -21.066
 1113   1HH1  ARG 142          HH21      ARG 142   9.467   3.676 -23.118
 1114   2HH1  ARG 142          HH22      ARG 142  10.828   4.042 -24.114
 1115   1HH2  ARG 142          HH11      ARG 142  11.621   7.050 -22.400
 1116   2HH2  ARG 142          HH12      ARG 142  12.065   6.016 -23.701
 1117    H    VAL 143           H        VAL 143  10.548   2.462 -16.796
 1118    HA   VAL 143           HA       VAL 143  12.400   3.874 -15.118
 1119    HB   VAL 143           HB       VAL 143  11.681   0.920 -15.151
 1120   1HG1  VAL 143          HG11      VAL 143  12.333   0.971 -12.757
 1121   2HG1  VAL 143          HG12      VAL 143  13.699   1.357 -13.816
 1122   3HG1  VAL 143          HG13      VAL 143  12.871   2.656 -12.941
 1123   1HG2  VAL 143          HG21      VAL 143   9.652   2.288 -14.841
 1124   2HG2  VAL 143          HG22      VAL 143  10.085   1.519 -13.322
 1125   3HG2  VAL 143          HG23      VAL 143  10.458   3.238 -13.577
 1126    H    LEU 144           H        LEU 144  12.846   1.466 -17.742
 1127    HA   LEU 144           HA       LEU 144  15.647   0.973 -17.147
 1128   1HB   LEU 144          HB2       LEU 144  14.247   0.775 -19.857
 1129   2HB   LEU 144          HB3       LEU 144  15.849   0.183 -19.468
 1130    HG   LEU 144           HG       LEU 144  13.218  -0.904 -18.434
 1131   1HD1  LEU 144          HD11      LEU 144  15.415  -2.140 -20.124
 1132   2HD1  LEU 144          HD12      LEU 144  13.896  -2.921 -19.621
 1133   3HD1  LEU 144          HD13      LEU 144  13.859  -1.529 -20.720
 1134   1HD2  LEU 144          HD21      LEU 144  16.036  -1.643 -17.599
 1135   2HD2  LEU 144          HD22      LEU 144  14.734  -0.985 -16.583
 1136   3HD2  LEU 144          HD23      LEU 144  14.582  -2.612 -17.251
 1137    H    ALA 145           H        ALA 145  13.913   3.223 -19.214
 1138    HA   ALA 145           HA       ALA 145  16.117   4.513 -20.420
 1139   1HB   ALA 145          HB1       ALA 145  13.336   5.591 -19.778
 1140   2HB   ALA 145          HB2       ALA 145  14.458   6.263 -20.979
 1141   3HB   ALA 145          HB3       ALA 145  13.761   4.644 -21.213
 1142    H    GLU 146           H        GLU 146  15.010   4.660 -17.189
 1143    HA   GLU 146           HA       GLU 146  16.324   7.267 -16.604
 1144   1HB   GLU 146          HB2       GLU 146  13.970   5.714 -15.502
 1145   2HB   GLU 146          HB3       GLU 146  14.698   7.063 -14.601
 1146   1HG   GLU 146          HG2       GLU 146  14.324   8.542 -16.608
 1147   2HG   GLU 146          HG3       GLU 146  13.442   7.223 -17.379
 1148    H    THR 147           H        THR 147  16.533   3.870 -15.986
 1149    HA   THR 147           HA       THR 147  17.802   3.813 -13.451
 1150    HB   THR 147           HB       THR 147  18.123   1.997 -15.883
 1151    HG1  THR 147           HG1      THR 147  15.965   2.276 -14.943
 1152   1HG2  THR 147          HG21      THR 147  19.909   1.504 -14.260
 1153   2HG2  THR 147          HG22      THR 147  18.719   1.432 -12.940
 1154   3HG2  THR 147          HG23      THR 147  18.698   0.222 -14.243
 1155    H    GLU 148           H        GLU 148  20.001   3.906 -12.859
 1156    HA   GLU 148           HA       GLU 148  21.619   5.834 -14.127
 1157   1HB   GLU 148          HB2       GLU 148  22.346   3.680 -12.095
 1158   2HB   GLU 148          HB3       GLU 148  23.399   5.014 -12.580
 1159   1HG   GLU 148          HG2       GLU 148  21.651   6.637 -11.801
 1160   2HG   GLU 148          HG3       GLU 148  20.696   5.280 -11.197
  Start of MODEL    5
    1   1H    MET   1           H1       MET   1   0.005  -0.171  -0.977
    2   2H    MET   1           H2       MET   1  -0.014   1.449  -0.755
    3   3H    MET   1           H3       MET   1  -0.658   0.811  -2.115
    4    HA   MET   1           HA       MET   1   2.200   0.767  -1.383
    5   1HB   MET   1          HB2       MET   1   0.768  -0.471  -3.746
    6   2HB   MET   1          HB3       MET   1   2.460   0.009  -3.808
    7   1HG   MET   1          HG2       MET   1   1.268  -1.967  -1.850
    8   2HG   MET   1          HG3       MET   1   2.280  -2.333  -3.240
    9   1HE   MET   1          HE1       MET   1   4.842  -0.151  -2.886
   10   2HE   MET   1          HE2       MET   1   5.862  -1.318  -2.006
   11   3HE   MET   1          HE3       MET   1   4.868  -1.877  -3.363
   12    H    LYS   2           H        LYS   2   2.553   2.961  -1.188
   13    HA   LYS   2           HA       LYS   2   1.636   4.886  -3.192
   14   1HB   LYS   2          HB2       LYS   2   3.942   4.997  -1.179
   15   2HB   LYS   2          HB3       LYS   2   3.398   6.348  -2.185
   16   1HG   LYS   2          HG2       LYS   2   1.171   6.264  -1.131
   17   2HG   LYS   2          HG3       LYS   2   1.713   4.935  -0.080
   18   1HD   LYS   2          HD2       LYS   2   3.492   6.402   0.847
   19   2HD   LYS   2          HD3       LYS   2   2.914   7.746  -0.143
   20   1HE   LYS   2          HE2       LYS   2   1.274   6.277   1.979
   21   2HE   LYS   2          HE3       LYS   2   2.143   7.788   2.250
   22   1HZ   LYS   2          HZ1       LYS   2   0.730   8.839   0.580
   23   2HZ   LYS   2          HZ2       LYS   2  -0.102   7.447   0.348
   24   3HZ   LYS   2          HZ3       LYS   2  -0.167   8.210   1.784
   25    H    LEU   3           H        LEU   3   2.834   5.669  -4.965
   26    HA   LEU   3           HA       LEU   3   4.918   3.986  -6.130
   27   1HB   LEU   3          HB2       LEU   3   3.848   6.694  -7.026
   28   2HB   LEU   3          HB3       LEU   3   4.892   5.618  -7.950
   29    HG   LEU   3           HG       LEU   3   1.989   5.153  -7.167
   30   1HD1  LEU   3          HD11      LEU   3   3.352   5.399  -9.879
   31   2HD1  LEU   3          HD12      LEU   3   1.616   5.128  -9.591
   32   3HD1  LEU   3          HD13      LEU   3   2.372   6.647  -9.081
   33   1HD2  LEU   3          HD21      LEU   3   3.939   3.209  -8.455
   34   2HD2  LEU   3          HD22      LEU   3   3.003   2.993  -6.955
   35   3HD2  LEU   3          HD23      LEU   3   2.168   3.025  -8.508
   36    H    ARG   4           H        ARG   4   6.032   4.300  -3.999
   37    HA   ARG   4           HA       ARG   4   8.245   6.109  -3.957
   38   1HB   ARG   4          HB2       ARG   4   6.385   7.635  -3.283
   39   2HB   ARG   4          HB3       ARG   4   5.829   6.446  -2.111
   40   1HG   ARG   4          HG2       ARG   4   6.904   8.119  -0.922
   41   2HG   ARG   4          HG3       ARG   4   7.952   6.702  -0.873
   42   1HD   ARG   4          HD2       ARG   4   8.347   8.918  -2.924
   43   2HD   ARG   4          HD3       ARG   4   8.996   9.092  -1.297
   44    HE   ARG   4           HE       ARG   4   9.925   7.271  -3.421
   45   1HH1  ARG   4          HH21      ARG   4  10.209   8.111   0.031
   46   2HH1  ARG   4          HH22      ARG   4  11.715   7.296   0.228
   47   1HH2  ARG   4          HH11      ARG   4  11.808   6.217  -3.166
   48   2HH2  ARG   4          HH12      ARG   4  12.695   6.194  -1.663
   49    H    GLN   5           H        GLN   5   6.050   3.671  -2.384
   50    HA   GLN   5           HA       GLN   5   7.600   3.252  -0.067
   51   1HB   GLN   5          HB2       GLN   5   5.380   1.860  -1.551
   52   2HB   GLN   5          HB3       GLN   5   6.329   0.851  -0.484
   53   1HG   GLN   5          HG2       GLN   5   5.854   2.303   1.436
   54   2HG   GLN   5          HG3       GLN   5   4.886   3.365   0.399
   55   1HE2  GLN   5          HE22      GLN   5   5.179  -0.173   1.262
   56   2HE2  GLN   5          HE21      GLN   5   3.494  -0.511   1.092
   57    HA   PRO   6           HA       PRO   6  10.621   0.273  -1.674
   58   1HB   PRO   6          HB2       PRO   6  11.348  -1.028   0.607
   59   2HB   PRO   6          HB3       PRO   6  11.852   0.659   0.278
   60   1HG   PRO   6          HG2       PRO   6   9.520  -0.293   1.969
   61   2HG   PRO   6          HG3       PRO   6  10.763   0.927   2.389
   62   1HD   PRO   6          HD2       PRO   6   8.289   1.589   1.399
   63   2HD   PRO   6          HD3       PRO   6   9.749   2.558   1.033
   64    H    MET   7           H        MET   7  10.663  -2.262  -1.791
   65    HA   MET   7           HA       MET   7   8.203  -3.499  -2.077
   66   1HB   MET   7          HB2       MET   7  10.889  -4.598  -1.222
   67   2HB   MET   7          HB3       MET   7   9.486  -5.650  -1.427
   68   1HG   MET   7          HG2       MET   7  10.251  -5.842  -3.490
   69   2HG   MET   7          HG3       MET   7   9.302  -4.394  -3.766
   70   1HE   MET   7          HE1       MET   7  10.601  -4.557  -5.769
   71   2HE   MET   7          HE2       MET   7  12.365  -4.322  -6.010
   72   3HE   MET   7          HE3       MET   7  11.745  -5.809  -5.205
   73    HA   PRO   8           HA       PRO   8   7.057  -4.602   2.283
   74   1HB   PRO   8          HB2       PRO   8   5.193  -6.515   1.829
   75   2HB   PRO   8          HB3       PRO   8   4.901  -4.843   1.272
   76   1HG   PRO   8          HG2       PRO   8   6.039  -7.162  -0.336
   77   2HG   PRO   8          HG3       PRO   8   4.644  -6.134  -0.750
   78   1HD   PRO   8          HD2       PRO   8   7.140  -5.599  -1.698
   79   2HD   PRO   8          HD3       PRO   8   5.999  -4.286  -1.276
   80    H    GLU   9           H        GLU   9   6.593  -7.324   3.032
   81    HA   GLU   9           HA       GLU   9   9.217  -8.651   2.684
   82   1HB   GLU   9          HB2       GLU   9   6.615  -9.393   4.109
   83   2HB   GLU   9          HB3       GLU   9   7.957 -10.530   3.879
   84   1HG   GLU   9          HG2       GLU   9   9.490  -9.049   5.051
   85   2HG   GLU   9          HG3       GLU   9   8.205  -7.858   5.301
   86    H    LEU  10           H        LEU  10   9.537 -10.004   0.938
   87    HA   LEU  10           HA       LEU  10   7.281 -10.382  -0.930
   88   1HB   LEU  10          HB2       LEU  10  10.200 -11.148  -1.273
   89   2HB   LEU  10          HB3       LEU  10   8.923 -11.315  -2.480
   90    HG   LEU  10           HG       LEU  10   9.974  -8.721  -1.321
   91   1HD1  LEU  10          HD11      LEU  10  11.461  -9.883  -2.980
   92   2HD1  LEU  10          HD12      LEU  10  10.143  -9.852  -4.161
   93   3HD1  LEU  10          HD13      LEU  10  10.882  -8.336  -3.598
   94   1HD2  LEU  10          HD21      LEU  10   8.597  -7.548  -2.992
   95   2HD2  LEU  10          HD22      LEU  10   7.853  -9.092  -3.449
   96   3HD2  LEU  10          HD23      LEU  10   7.601  -8.411  -1.821
   97    H    THR  11           H        THR  11   6.208 -11.600   0.827
   98    HA   THR  11           HA       THR  11   7.094 -14.221   1.570
   99    HB   THR  11           HB       THR  11   4.557 -14.341   2.191
  100    HG1  THR  11           HG1      THR  11   3.654 -12.227   2.339
  101   1HG2  THR  11          HG21      THR  11   4.923 -12.939   4.170
  102   2HG2  THR  11          HG22      THR  11   6.406 -13.831   3.806
  103   3HG2  THR  11          HG23      THR  11   6.285 -12.110   3.382
  104    H    GLY  12           H        GLY  12   5.911 -16.187   1.030
  105   1HA   GLY  12          HA2       GLY  12   4.645 -16.732  -1.460
  106   2HA   GLY  12          HA3       GLY  12   6.420 -16.870  -1.645
  107    H    GLU  13           H        GLU  13   3.791 -17.644   0.660
  108    HA   GLU  13           HA       GLU  13   5.497 -19.382   2.163
  109   1HB   GLU  13          HB2       GLU  13   2.501 -18.940   2.432
  110   2HB   GLU  13          HB3       GLU  13   3.594 -19.594   3.653
  111   1HG   GLU  13          HG2       GLU  13   3.454 -16.743   2.615
  112   2HG   GLU  13          HG3       GLU  13   3.173 -17.319   4.245
  113    H    LYS  14           H        LYS  14   3.945 -20.197  -0.733
  114    HA   LYS  14           HA       LYS  14   3.404 -22.983   0.108
  115   1HB   LYS  14          HB2       LYS  14   2.154 -21.833  -1.822
  116   2HB   LYS  14          HB3       LYS  14   3.635 -22.050  -2.748
  117   1HG   LYS  14          HG2       LYS  14   3.333 -24.585  -1.680
  118   2HG   LYS  14          HG3       LYS  14   1.658 -24.054  -1.680
  119   1HD   LYS  14          HD2       LYS  14   2.018 -25.231  -3.745
  120   2HD   LYS  14          HD3       LYS  14   1.908 -23.520  -4.144
  121   1HE   LYS  14          HE2       LYS  14   3.799 -24.232  -5.381
  122   2HE   LYS  14          HE3       LYS  14   4.488 -23.466  -3.942
  123   1HZ   LYS  14          HZ1       LYS  14   4.797 -25.714  -3.002
  124   2HZ   LYS  14          HZ2       LYS  14   4.127 -26.398  -4.321
  125   3HZ   LYS  14          HZ3       LYS  14   5.541 -25.613  -4.452
  126    H    ALA  15           H        ALA  15   5.720 -21.307  -2.112
  127    HA   ALA  15           HA       ALA  15   8.081 -22.207  -0.948
  128   1HB   ALA  15          HB1       ALA  15   7.260 -23.892  -3.379
  129   2HB   ALA  15          HB2       ALA  15   8.861 -23.894  -2.624
  130   3HB   ALA  15          HB3       ALA  15   7.487 -24.525  -1.730
  131    H    TRP  16           H        TRP  16   9.951 -21.875  -2.596
  132    HA   TRP  16           HA       TRP  16   9.313 -19.758  -4.593
  133   1HB   TRP  16          HB2       TRP  16  11.710 -19.548  -4.808
  134   2HB   TRP  16          HB3       TRP  16  11.199 -19.295  -3.150
  135    HD1  TRP  16           HD1      TRP  16  12.308 -20.789  -1.319
  136    HE1  TRP  16           HE1      TRP  16  14.097 -22.605  -1.304
  137    HE3  TRP  16           HE3      TRP  16  12.576 -21.623  -6.321
  138    HZ2  TRP  16           HZ2      TRP  16  15.497 -24.257  -3.270
  139    HZ3  TRP  16           HZ3      TRP  16  14.154 -23.326  -7.259
  140    HH2  TRP  16           HH2      TRP  16  15.615 -24.635  -5.732
  141    H    LEU  17           H        LEU  17  10.039 -20.113  -6.800
  142    HA   LEU  17           HA       LEU  17  10.418 -22.902  -7.700
  143   1HB   LEU  17          HB2       LEU  17   7.986 -22.537  -7.602
  144   2HB   LEU  17          HB3       LEU  17   8.163 -21.004  -8.447
  145    HG   LEU  17           HG       LEU  17   8.929 -22.209 -10.484
  146   1HD1  LEU  17          HD11      LEU  17   8.185 -24.727  -8.898
  147   2HD1  LEU  17          HD12      LEU  17   8.557 -24.677 -10.630
  148   3HD1  LEU  17          HD13      LEU  17   9.819 -24.306  -9.451
  149   1HD2  LEU  17          HD21      LEU  17   6.551 -21.617 -10.180
  150   2HD2  LEU  17          HD22      LEU  17   6.693 -23.151 -11.051
  151   3HD2  LEU  17          HD23      LEU  17   6.260 -23.146  -9.324
  152    H    ASN  18           H        ASN  18  11.406 -22.929  -9.770
  153    HA   ASN  18           HA       ASN  18  12.894 -22.387 -11.241
  154   1HB   ASN  18          HB2       ASN  18  11.534 -19.680 -11.376
  155   2HB   ASN  18          HB3       ASN  18  12.745 -20.209 -12.524
  156   1HD2  ASN  18          HD22      ASN  18  10.080 -19.362 -13.083
  157   2HD2  ASN  18          HD21      ASN  18   9.350 -20.677 -13.994
  158    H    GLY  19           H        GLY  19  12.976 -20.861  -8.451
  159   1HA   GLY  19          HA2       GLY  19  15.602 -20.946  -7.858
  160   2HA   GLY  19          HA3       GLY  19  15.533 -19.418  -8.751
  161    H    GLU  20           H        GLU  20  16.005 -20.106  -5.865
  162    HA   GLU  20           HA       GLU  20  13.923 -18.804  -4.315
  163   1HB   GLU  20          HB2       GLU  20  15.684 -20.416  -3.452
  164   2HB   GLU  20          HB3       GLU  20  16.879 -19.132  -3.720
  165   1HG   GLU  20          HG2       GLU  20  15.707 -17.686  -2.097
  166   2HG   GLU  20          HG3       GLU  20  14.445 -18.901  -1.894
  167    H    VAL  21           H        VAL  21  13.846 -16.607  -3.715
  168    HA   VAL  21           HA       VAL  21  15.954 -14.739  -4.444
  169    HB   VAL  21           HB       VAL  21  14.003 -13.297  -5.547
  170   1HG1  VAL  21          HG11      VAL  21  14.763 -13.919  -7.759
  171   2HG1  VAL  21          HG12      VAL  21  16.120 -13.858  -6.622
  172   3HG1  VAL  21          HG13      VAL  21  15.457 -15.431  -7.138
  173   1HG2  VAL  21          HG21      VAL  21  12.240 -15.082  -5.264
  174   2HG2  VAL  21          HG22      VAL  21  12.436 -14.499  -6.925
  175   3HG2  VAL  21          HG23      VAL  21  13.116 -16.073  -6.440
  176    H    THR  22           H        THR  22  15.456 -12.608  -3.650
  177    HA   THR  22           HA       THR  22  13.211 -12.202  -1.823
  178    HB   THR  22           HB       THR  22  14.629 -11.145  -0.156
  179    HG1  THR  22           HG1      THR  22  16.913 -11.346  -0.383
  180   1HG2  THR  22          HG21      THR  22  15.856 -12.951   0.808
  181   2HG2  THR  22          HG22      THR  22  14.347 -13.603   0.126
  182   3HG2  THR  22          HG23      THR  22  15.893 -13.835  -0.739
  183    H    ARG  23           H        ARG  23  13.972  -9.522  -1.248
  184    HA   ARG  23           HA       ARG  23  13.872  -8.230  -3.923
  185   1HB   ARG  23          HB2       ARG  23  14.424  -6.740  -1.346
  186   2HB   ARG  23          HB3       ARG  23  13.580  -6.223  -2.801
  187   1HG   ARG  23          HG2       ARG  23  11.597  -6.879  -2.100
  188   2HG   ARG  23          HG3       ARG  23  12.157  -8.313  -1.230
  189   1HD   ARG  23          HD2       ARG  23  12.651  -5.528  -0.162
  190   2HD   ARG  23          HD3       ARG  23  11.200  -6.472   0.187
  191    HE   ARG  23           HE       ARG  23  13.866  -7.682   0.737
  192   1HH1  ARG  23          HH11      ARG  23  10.711  -6.611   2.022
  193   2HH1  ARG  23          HH12      ARG  23  11.151  -6.935   3.667
  194   1HH2  ARG  23          HH21      ARG  23  14.409  -8.145   2.843
  195   2HH2  ARG  23          HH22      ARG  23  13.250  -7.971   4.130
  196    H    GLU  24           H        GLU  24  15.935  -8.687  -1.069
  197    HA   GLU  24           HA       GLU  24  17.972  -6.937  -2.109
  198   1HB   GLU  24          HB2       GLU  24  19.111  -7.262   0.005
  199   2HB   GLU  24          HB3       GLU  24  17.456  -6.650   0.133
  200   1HG   GLU  24          HG2       GLU  24  17.793  -9.554   0.084
  201   2HG   GLU  24          HG3       GLU  24  18.447  -8.767   1.526
  202    H    GLN  25           H        GLN  25  17.460 -10.290  -2.444
  203    HA   GLN  25           HA       GLN  25  20.125 -11.159  -2.839
  204   1HB   GLN  25          HB2       GLN  25  17.380 -12.038  -3.742
  205   2HB   GLN  25          HB3       GLN  25  18.744 -12.694  -4.616
  206   1HG   GLN  25          HG2       GLN  25  18.369 -12.899  -1.599
  207   2HG   GLN  25          HG3       GLN  25  18.028 -14.171  -2.774
  208   1HE2  GLN  25          HE22      GLN  25  20.282 -14.010  -4.478
  209   2HE2  GLN  25          HE21      GLN  25  21.710 -14.421  -3.562
  210    H    LEU  26           H        LEU  26  17.936  -9.309  -4.910
  211    HA   LEU  26           HA       LEU  26  20.020  -9.189  -7.018
  212   1HB   LEU  26          HB2       LEU  26  18.126  -9.362  -8.655
  213   2HB   LEU  26          HB3       LEU  26  18.624 -10.791  -7.776
  214    HG   LEU  26           HG       LEU  26  16.659 -10.701  -6.337
  215   1HD1  LEU  26          HD11      LEU  26  14.756  -9.277  -6.760
  216   2HD1  LEU  26          HD12      LEU  26  16.139  -8.246  -6.420
  217   3HD1  LEU  26          HD13      LEU  26  15.588  -8.444  -8.078
  218   1HD2  LEU  26          HD21      LEU  26  16.080 -10.669  -9.318
  219   2HD2  LEU  26          HD22      LEU  26  16.634 -12.041  -8.352
  220   3HD2  LEU  26          HD23      LEU  26  15.028 -11.362  -8.061
  221    H    ILE  27           H        ILE  27  17.962  -7.266  -5.038
  222    HA   ILE  27           HA       ILE  27  17.977  -4.947  -6.746
  223    HB   ILE  27           HB       ILE  27  17.473  -5.551  -3.842
  224   1HG1  ILE  27          HG12      ILE  27  15.707  -5.769  -5.535
  225   2HG1  ILE  27          HG13      ILE  27  15.316  -4.578  -4.293
  226   1HG2  ILE  27          HG21      ILE  27  17.006  -3.243  -3.214
  227   2HG2  ILE  27          HG22      ILE  27  18.723  -3.559  -3.453
  228   3HG2  ILE  27          HG23      ILE  27  17.807  -2.665  -4.682
  229   1HD1  ILE  27          HD11      ILE  27  14.579  -3.743  -6.414
  230   2HD1  ILE  27          HD12      ILE  27  15.976  -2.774  -5.928
  231   3HD1  ILE  27          HD13      ILE  27  16.150  -4.030  -7.166
  232    H    GLY  28           H        GLY  28  19.150  -3.044  -6.360
  233   1HA   GLY  28          HA2       GLY  28  21.048  -2.129  -4.991
  234   2HA   GLY  28          HA3       GLY  28  22.024  -3.469  -5.618
  235    H    GLU  29           H        GLU  29  21.098  -3.513  -8.288
  236    HA   GLU  29           HA       GLU  29  21.844  -0.827  -9.355
  237   1HB   GLU  29          HB2       GLU  29  23.745  -2.674  -9.094
  238   2HB   GLU  29          HB3       GLU  29  22.969  -3.347 -10.529
  239   1HG   GLU  29          HG2       GLU  29  24.575  -1.929 -11.487
  240   2HG   GLU  29          HG3       GLU  29  23.176  -0.846 -11.453
  241    H    LYS  30           H        LYS  30  19.879  -3.685  -9.674
  242    HA   LYS  30           HA       LYS  30  18.945  -2.692 -12.318
  243   1HB   LYS  30          HB2       LYS  30  18.962  -5.547 -11.260
  244   2HB   LYS  30          HB3       LYS  30  18.232  -5.047 -12.787
  245   1HG   LYS  30          HG2       LYS  30  21.189  -4.753 -12.090
  246   2HG   LYS  30          HG3       LYS  30  20.502  -6.075 -13.030
  247   1HD   LYS  30          HD2       LYS  30  19.963  -4.684 -14.865
  248   2HD   LYS  30          HD3       LYS  30  20.090  -3.198 -13.935
  249   1HE   LYS  30          HE2       LYS  30  21.996  -3.243 -15.277
  250   2HE   LYS  30          HE3       LYS  30  22.506  -3.561 -13.619
  251   1HZ   LYS  30          HZ1       LYS  30  22.088  -5.669 -15.700
  252   2HZ   LYS  30          HZ2       LYS  30  23.550  -5.053 -15.291
  253   3HZ   LYS  30          HZ3       LYS  30  22.702  -5.914 -14.200
  254    HA   PRO  31           HA       PRO  31  15.047  -2.059 -10.252
  255   1HB   PRO  31          HB2       PRO  31  13.405  -1.845 -12.444
  256   2HB   PRO  31          HB3       PRO  31  14.559  -0.564 -11.954
  257   1HG   PRO  31          HG2       PRO  31  14.957  -2.726 -14.044
  258   2HG   PRO  31          HG3       PRO  31  15.226  -0.961 -14.213
  259   1HD   PRO  31          HD2       PRO  31  17.265  -2.645 -13.629
  260   2HD   PRO  31          HD3       PRO  31  17.166  -1.038 -12.855
  261    H    THR  32           H        THR  32  12.903  -3.143 -10.163
  262    HA   THR  32           HA       THR  32  13.073  -6.003 -10.933
  263    HB   THR  32           HB       THR  32  12.416  -4.876  -8.192
  264    HG1  THR  32           HG1      THR  32  14.367  -5.745  -7.582
  265   1HG2  THR  32          HG21      THR  32  11.187  -7.002  -8.681
  266   2HG2  THR  32          HG22      THR  32  12.735  -7.795  -9.029
  267   3HG2  THR  32          HG23      THR  32  12.389  -7.194  -7.398
  268    H    LEU  33           H        LEU  33  11.301  -6.752 -11.802
  269    HA   LEU  33           HA       LEU  33   8.753  -5.186 -11.641
  270   1HB   LEU  33          HB2       LEU  33   9.377  -5.416 -13.962
  271   2HB   LEU  33          HB3       LEU  33   9.891  -7.086 -13.727
  272    HG   LEU  33           HG       LEU  33   7.490  -7.738 -13.291
  273   1HD1  LEU  33          HD11      LEU  33   5.714  -6.166 -13.995
  274   2HD1  LEU  33          HD12      LEU  33   6.577  -5.536 -12.589
  275   3HD1  LEU  33          HD13      LEU  33   6.931  -4.889 -14.208
  276   1HD2  LEU  33          HD21      LEU  33   7.992  -6.359 -15.944
  277   2HD2  LEU  33          HD22      LEU  33   8.569  -7.974 -15.495
  278   3HD2  LEU  33          HD23      LEU  33   6.829  -7.669 -15.606
  279    H    ILE  34           H        ILE  34   7.268  -6.169 -10.367
  280    HA   ILE  34           HA       ILE  34   7.507  -9.096  -9.805
  281    HB   ILE  34           HB       ILE  34   6.393  -6.829  -8.123
  282   1HG1  ILE  34          HG12      ILE  34   8.849  -8.526  -7.632
  283   2HG1  ILE  34          HG13      ILE  34   8.835  -6.825  -8.094
  284   1HG2  ILE  34          HG21      ILE  34   5.061  -8.918  -7.882
  285   2HG2  ILE  34          HG22      ILE  34   6.555  -9.773  -7.406
  286   3HG2  ILE  34          HG23      ILE  34   5.877  -8.473  -6.400
  287   1HD1  ILE  34          HD11      ILE  34   7.904  -8.008  -5.473
  288   2HD1  ILE  34          HD12      ILE  34   9.277  -6.930  -5.762
  289   3HD1  ILE  34          HD13      ILE  34   7.618  -6.319  -5.950
  290    H    HIS  35           H        HIS  35   5.770 -10.224 -10.704
  291    HA   HIS  35           HA       HIS  35   3.284  -8.673 -11.260
  292   1HB   HIS  35          HB2       HIS  35   2.832  -9.965 -13.203
  293   2HB   HIS  35          HB3       HIS  35   4.375  -9.116 -13.415
  294    HD1  HIS  35           HD1      HIS  35   2.786 -12.452 -13.728
  295    HD2  HIS  35           HD2      HIS  35   6.632 -10.832 -13.227
  296    HE1  HIS  35           HE1      HIS  35   4.420 -14.303 -14.315
  297    H    PHE  36           H        PHE  36   1.345  -9.710 -10.930
  298    HA   PHE  36           HA       PHE  36   1.411 -12.161  -9.249
  299   1HB   PHE  36          HB2       PHE  36  -0.229  -9.619  -9.184
  300   2HB   PHE  36          HB3       PHE  36  -0.920 -11.128  -8.620
  301    HD1  PHE  36           HD1      PHE  36  -0.719 -11.696  -6.380
  302    HD2  PHE  36           HD2      PHE  36   2.282  -9.116  -8.116
  303    HE1  PHE  36           HE1      PHE  36   0.314 -11.376  -4.168
  304    HE2  PHE  36           HE2      PHE  36   3.301  -8.833  -5.892
  305    HZ   PHE  36           HZ       PHE  36   2.249  -9.891  -3.906
  306    H    TRP  37           H        TRP  37   0.428 -13.858 -10.161
  307    HA   TRP  37           HA       TRP  37  -1.633 -13.544 -12.263
  308   1HB   TRP  37          HB2       TRP  37  -0.391 -14.859 -13.845
  309   2HB   TRP  37          HB3       TRP  37   0.581 -13.470 -13.412
  310    HD1  TRP  37           HD1      TRP  37   2.734 -14.005 -11.746
  311    HE1  TRP  37           HE1      TRP  37   4.074 -16.139 -11.331
  312    HE3  TRP  37           HE3      TRP  37  -0.255 -17.344 -14.218
  313    HZ2  TRP  37           HZ2      TRP  37   3.864 -18.986 -11.972
  314    HZ3  TRP  37           HZ3      TRP  37   0.395 -19.722 -14.398
  315    HH2  TRP  37           HH2      TRP  37   2.431 -20.565 -13.245
  316    H    SER  38           H        SER  38  -2.260 -16.014 -12.891
  317    HA   SER  38           HA       SER  38  -1.755 -17.956 -10.774
  318   1HB   SER  38          HB2       SER  38  -4.626 -17.580 -11.544
  319   2HB   SER  38          HB3       SER  38  -3.900 -18.309 -10.096
  320    HG   SER  38           HG       SER  38  -3.825 -16.460  -9.153
  321    H    ILE  39           H        ILE  39  -2.377 -20.159 -11.518
  322    HA   ILE  39           HA       ILE  39  -1.681 -20.534 -14.221
  323    HB   ILE  39           HB       ILE  39  -2.452 -22.949 -13.769
  324   1HG1  ILE  39          HG12      ILE  39  -2.626 -21.943 -10.888
  325   2HG1  ILE  39          HG13      ILE  39  -3.996 -22.448 -11.863
  326   1HG2  ILE  39          HG21      ILE  39  -0.409 -23.430 -12.815
  327   2HG2  ILE  39          HG22      ILE  39  -0.109 -21.920 -13.639
  328   3HG2  ILE  39          HG23      ILE  39  -0.328 -21.910 -11.879
  329   1HD1  ILE  39          HD11      ILE  39  -1.691 -24.311 -11.142
  330   2HD1  ILE  39          HD12      ILE  39  -3.200 -24.168 -10.236
  331   3HD1  ILE  39          HD13      ILE  39  -3.237 -24.716 -11.906
  332    H    SER  40           H        SER  40  -4.997 -20.818 -12.796
  333    HA   SER  40           HA       SER  40  -5.964 -21.630 -15.479
  334   1HB   SER  40          HB2       SER  40  -7.264 -21.659 -12.729
  335   2HB   SER  40          HB3       SER  40  -7.936 -22.371 -14.208
  336    HG   SER  40           HG       SER  40  -6.644 -23.725 -12.640
  337    H    CYS  41           H        CYS  41  -5.210 -19.172 -15.808
  338    HA   CYS  41           HA       CYS  41  -7.463 -17.283 -15.219
  339   1HB   CYS  41          HB2       CYS  41  -5.594 -17.004 -13.689
  340   2HB   CYS  41          HB3       CYS  41  -4.469 -17.088 -15.030
  341    H    HIS  42           H        HIS  42  -8.399 -16.845 -17.096
  342    HA   HIS  42           HA       HIS  42  -7.255 -17.165 -19.677
  343   1HB   HIS  42          HB2       HIS  42  -9.724 -17.297 -18.706
  344   2HB   HIS  42          HB3       HIS  42  -9.781 -15.591 -19.126
  345    HD1  HIS  42           HD1      HIS  42  -8.676 -15.461 -21.968
  346    HD2  HIS  42           HD2      HIS  42 -10.877 -18.721 -20.489
  347    HE1  HIS  42           HE1      HIS  42  -9.665 -16.648 -24.017
  348    H    LEU  43           H        LEU  43  -6.465 -14.576 -17.697
  349    HA   LEU  43           HA       LEU  43  -5.501 -13.299 -20.171
  350   1HB   LEU  43          HB2       LEU  43  -6.973 -11.797 -18.002
  351   2HB   LEU  43          HB3       LEU  43  -5.733 -11.003 -18.971
  352    HG   LEU  43           HG       LEU  43  -8.251 -12.317 -20.077
  353   1HD1  LEU  43          HD11      LEU  43  -7.401  -9.404 -19.902
  354   2HD1  LEU  43          HD12      LEU  43  -8.896 -10.020 -20.640
  355   3HD1  LEU  43          HD13      LEU  43  -8.634 -10.194 -18.898
  356   1HD2  LEU  43          HD21      LEU  43  -6.479 -12.555 -21.785
  357   2HD2  LEU  43          HD22      LEU  43  -7.551 -11.244 -22.252
  358   3HD2  LEU  43          HD23      LEU  43  -5.976 -10.872 -21.519
  359    H    CYS  44           H        CYS  44  -4.708 -14.560 -17.158
  360    HA   CYS  44           HA       CYS  44  -2.149 -13.258 -16.885
  361   1HB   CYS  44          HB2       CYS  44  -2.922 -16.140 -16.256
  362   2HB   CYS  44          HB3       CYS  44  -1.487 -15.293 -15.719
  363    H    LYS  45           H        LYS  45  -3.557 -15.682 -19.080
  364    HA   LYS  45           HA       LYS  45  -1.082 -16.457 -20.289
  365   1HB   LYS  45          HB2       LYS  45  -2.549 -17.330 -22.111
  366   2HB   LYS  45          HB3       LYS  45  -2.814 -17.945 -20.490
  367   1HG   LYS  45          HG2       LYS  45  -4.914 -17.764 -21.485
  368   2HG   LYS  45          HG3       LYS  45  -4.821 -16.511 -20.263
  369   1HD   LYS  45          HD2       LYS  45  -5.939 -15.786 -22.282
  370   2HD   LYS  45          HD3       LYS  45  -4.477 -14.807 -21.983
  371   1HE   LYS  45          HE2       LYS  45  -3.259 -16.088 -23.712
  372   2HE   LYS  45          HE3       LYS  45  -4.628 -17.199 -23.891
  373   1HZ   LYS  45          HZ1       LYS  45  -4.517 -14.355 -24.695
  374   2HZ   LYS  45          HZ2       LYS  45  -4.666 -15.652 -25.664
  375   3HZ   LYS  45          HZ3       LYS  45  -5.917 -15.238 -24.702
  376    H    GLU  46           H        GLU  46  -2.378 -13.347 -20.331
  377    HA   GLU  46           HA       GLU  46  -0.968 -12.777 -22.919
  378   1HB   GLU  46          HB2       GLU  46  -2.487 -10.954 -20.995
  379   2HB   GLU  46          HB3       GLU  46  -1.636 -10.408 -22.429
  380   1HG   GLU  46          HG2       GLU  46  -4.012 -12.307 -22.387
  381   2HG   GLU  46          HG3       GLU  46  -4.051 -10.598 -22.816
  382    H    ALA  47           H        ALA  47  -0.815 -12.372 -19.364
  383    HA   ALA  47           HA       ALA  47   1.553 -10.771 -19.423
  384   1HB   ALA  47          HB1       ALA  47   1.652 -11.247 -16.998
  385   2HB   ALA  47          HB2       ALA  47   0.017 -10.773 -17.492
  386   3HB   ALA  47          HB3       ALA  47   0.395 -12.489 -17.172
  387    H    MET  48           H        MET  48   1.044 -14.331 -19.122
  388    HA   MET  48           HA       MET  48   3.713 -15.036 -18.530
  389   1HB   MET  48          HB2       MET  48   1.591 -16.514 -20.137
  390   2HB   MET  48          HB3       MET  48   3.172 -17.199 -19.730
  391   1HG   MET  48          HG2       MET  48   2.674 -16.994 -17.360
  392   2HG   MET  48          HG3       MET  48   1.140 -16.199 -17.717
  393   1HE   MET  48          HE1       MET  48  -0.391 -17.774 -16.553
  394   2HE   MET  48          HE2       MET  48  -0.940 -17.308 -18.197
  395   3HE   MET  48          HE3       MET  48  -1.193 -18.978 -17.603
  396    HA   PRO  49           HA       PRO  49   4.823 -15.288 -23.128
  397   1HB   PRO  49          HB2       PRO  49   3.379 -13.824 -24.994
  398   2HB   PRO  49          HB3       PRO  49   3.162 -15.565 -24.631
  399   1HG   PRO  49          HG2       PRO  49   1.555 -13.233 -23.615
  400   2HG   PRO  49          HG3       PRO  49   0.975 -14.814 -24.192
  401   1HD   PRO  49          HD2       PRO  49   1.228 -14.325 -21.524
  402   2HD   PRO  49          HD3       PRO  49   1.617 -15.914 -22.197
  403    H    GLN  50           H        GLN  50   3.422 -12.175 -21.830
  404    HA   GLN  50           HA       GLN  50   5.443 -10.619 -23.205
  405   1HB   GLN  50          HB2       GLN  50   3.180  -9.840 -22.433
  406   2HB   GLN  50          HB3       GLN  50   3.795  -9.829 -20.768
  407   1HG   GLN  50          HG2       GLN  50   5.545  -8.221 -21.380
  408   2HG   GLN  50          HG3       GLN  50   5.101  -8.328 -23.090
  409   1HE2  GLN  50          HE22      GLN  50   2.214  -8.266 -22.763
  410   2HE2  GLN  50          HE21      GLN  50   1.862  -6.612 -22.290
  411    H    VAL  51           H        VAL  51   5.131 -12.187 -20.019
  412    HA   VAL  51           HA       VAL  51   7.488 -11.055 -18.923
  413    HB   VAL  51           HB       VAL  51   5.744 -13.448 -18.281
  414   1HG1  VAL  51          HG11      VAL  51   6.941 -13.628 -16.137
  415   2HG1  VAL  51          HG12      VAL  51   7.924 -14.169 -17.497
  416   3HG1  VAL  51          HG13      VAL  51   8.232 -12.583 -16.759
  417   1HG2  VAL  51          HG21      VAL  51   5.037 -12.074 -16.424
  418   2HG2  VAL  51          HG22      VAL  51   6.309 -10.875 -16.737
  419   3HG2  VAL  51          HG23      VAL  51   4.955 -11.065 -17.869
  420    H    ASN  52           H        ASN  52   6.891 -14.090 -20.806
  421    HA   ASN  52           HA       ASN  52   9.593 -15.028 -20.794
  422   1HB   ASN  52          HB2       ASN  52   8.093 -16.559 -21.660
  423   2HB   ASN  52          HB3       ASN  52   7.167 -15.344 -22.523
  424   1HD2  ASN  52          HD22      ASN  52   7.244 -15.650 -24.661
  425   2HD2  ASN  52          HD21      ASN  52   8.633 -16.205 -25.565
  426    H    GLU  53           H        GLU  53   7.898 -12.691 -22.982
  427    HA   GLU  53           HA       GLU  53  10.154 -12.044 -24.549
  428   1HB   GLU  53          HB2       GLU  53   7.617 -10.553 -23.850
  429   2HB   GLU  53          HB3       GLU  53   8.904  -9.748 -24.728
  430   1HG   GLU  53          HG2       GLU  53   8.840 -11.493 -26.471
  431   2HG   GLU  53          HG3       GLU  53   7.579 -12.354 -25.588
  432    H    PHE  54           H        PHE  54   9.110 -10.399 -21.441
  433    HA   PHE  54           HA       PHE  54  11.358  -8.658 -21.358
  434   1HB   PHE  54          HB2       PHE  54   9.924  -9.982 -19.016
  435   2HB   PHE  54          HB3       PHE  54  10.993  -8.595 -18.911
  436    HD1  PHE  54           HD1      PHE  54   9.579  -7.453 -21.675
  437    HD2  PHE  54           HD2      PHE  54   8.354  -8.647 -17.730
  438    HE1  PHE  54           HE1      PHE  54   7.624  -5.924 -21.812
  439    HE2  PHE  54           HE2      PHE  54   6.444  -7.065 -17.831
  440    HZ   PHE  54           HZ       PHE  54   6.080  -5.688 -19.873
  441    H    ARG  55           H        ARG  55  10.984 -11.951 -20.078
  442    HA   ARG  55           HA       ARG  55  13.553 -12.111 -18.847
  443   1HB   ARG  55          HB2       ARG  55  11.466 -13.420 -18.339
  444   2HB   ARG  55          HB3       ARG  55  11.692 -14.246 -19.875
  445   1HG   ARG  55          HG2       ARG  55  14.153 -14.487 -18.303
  446   2HG   ARG  55          HG3       ARG  55  12.814 -14.797 -17.224
  447   1HD   ARG  55          HD2       ARG  55  13.670 -16.869 -18.309
  448   2HD   ARG  55          HD3       ARG  55  11.956 -16.553 -18.636
  449    HE   ARG  55           HE       ARG  55  13.984 -15.551 -20.540
  450   1HH1  ARG  55          HH11      ARG  55  11.458 -18.007 -19.981
  451   2HH1  ARG  55          HH12      ARG  55  11.016 -18.120 -21.652
  452   1HH2  ARG  55          HH21      ARG  55  13.349 -15.715 -22.757
  453   2HH2  ARG  55          HH22      ARG  55  11.901 -16.587 -23.148
  454    H    ASP  56           H        ASP  56  12.725 -12.102 -22.162
  455    HA   ASP  56           HA       ASP  56  15.525 -13.008 -22.756
  456   1HB   ASP  56          HB2       ASP  56  13.843 -14.178 -24.031
  457   2HB   ASP  56          HB3       ASP  56  13.143 -12.653 -24.595
  458    H    LYS  57           H        LYS  57  13.320 -10.281 -23.687
  459    HA   LYS  57           HA       LYS  57  15.345  -8.784 -25.016
  460   1HB   LYS  57          HB2       LYS  57  12.840  -7.786 -23.582
  461   2HB   LYS  57          HB3       LYS  57  13.797  -6.861 -24.739
  462   1HG   LYS  57          HG2       LYS  57  13.167  -8.387 -26.552
  463   2HG   LYS  57          HG3       LYS  57  12.269  -9.396 -25.407
  464   1HD   LYS  57          HD2       LYS  57  10.905  -7.296 -24.808
  465   2HD   LYS  57          HD3       LYS  57  11.659  -6.519 -26.217
  466   1HE   LYS  57          HE2       LYS  57  10.755  -8.356 -27.662
  467   2HE   LYS  57          HE3       LYS  57  10.058  -9.110 -26.228
  468   1HZ   LYS  57          HZ1       LYS  57   8.805  -6.872 -25.983
  469   2HZ   LYS  57          HZ2       LYS  57   9.190  -6.651 -27.560
  470   3HZ   LYS  57          HZ3       LYS  57   8.315  -7.974 -27.097
  471    H    TYR  58           H        TYR  58  14.199  -8.743 -21.651
  472    HA   TYR  58           HA       TYR  58  16.144  -6.582 -21.015
  473   1HB   TYR  58          HB2       TYR  58  13.479  -7.053 -19.685
  474   2HB   TYR  58          HB3       TYR  58  14.535  -5.658 -19.517
  475    HD1  TYR  58           HD1      TYR  58  11.478  -6.264 -20.598
  476    HD2  TYR  58           HD2      TYR  58  15.204  -4.898 -22.287
  477    HE1  TYR  58           HE1      TYR  58  10.245  -5.201 -22.468
  478    HE2  TYR  58           HE2      TYR  58  13.985  -3.829 -24.143
  479    HH   TYR  58           HH       TYR  58  11.898  -3.467 -25.137
  480    H    GLN  59           H        GLN  59  15.469  -9.849 -20.230
  481    HA   GLN  59           HA       GLN  59  15.937 -10.185 -17.650
  482   1HB   GLN  59          HB2       GLN  59  17.506 -12.168 -18.211
  483   2HB   GLN  59          HB3       GLN  59  15.849 -12.152 -18.754
  484   1HG   GLN  59          HG2       GLN  59  17.329 -13.027 -20.490
  485   2HG   GLN  59          HG3       GLN  59  16.498 -11.583 -21.018
  486   1HE2  GLN  59          HE22      GLN  59  17.825 -10.304 -22.268
  487   2HE2  GLN  59          HE21      GLN  59  19.527 -10.028 -21.972
  488    H    ASP  60           H        ASP  60  18.685  -8.958 -19.611
  489    HA   ASP  60           HA       ASP  60  20.559  -9.205 -17.372
  490   1HB   ASP  60          HB2       ASP  60  21.244  -9.452 -19.736
  491   2HB   ASP  60          HB3       ASP  60  20.776  -7.784 -20.052
  492    H    GLN  61           H        GLN  61  18.134  -7.027 -18.108
  493    HA   GLN  61           HA       GLN  61  19.455  -4.589 -17.010
  494   1HB   GLN  61          HB2       GLN  61  17.127  -4.893 -18.943
  495   2HB   GLN  61          HB3       GLN  61  17.909  -3.385 -18.496
  496   1HG   GLN  61          HG2       GLN  61  19.682  -3.709 -19.925
  497   2HG   GLN  61          HG3       GLN  61  19.728  -5.443 -19.674
  498   1HE2  GLN  61          HE22      GLN  61  19.185  -6.671 -21.454
  499   2HE2  GLN  61          HE21      GLN  61  17.934  -6.245 -22.595
  500    H    LEU  62           H        LEU  62  16.913  -6.885 -16.693
  501    HA   LEU  62           HA       LEU  62  15.428  -5.283 -14.652
  502   1HB   LEU  62          HB2       LEU  62  14.342  -5.249 -16.904
  503   2HB   LEU  62          HB3       LEU  62  14.393  -7.004 -16.950
  504    HG   LEU  62           HG       LEU  62  12.870  -7.086 -14.947
  505   1HD1  LEU  62          HD11      LEU  62  11.606  -4.995 -14.399
  506   2HD1  LEU  62          HD12      LEU  62  13.306  -4.872 -13.960
  507   3HD1  LEU  62          HD13      LEU  62  12.714  -4.072 -15.430
  508   1HD2  LEU  62          HD21      LEU  62  11.991  -7.431 -17.131
  509   2HD2  LEU  62          HD22      LEU  62  10.855  -6.376 -16.273
  510   3HD2  LEU  62          HD23      LEU  62  11.980  -5.702 -17.481
  511    H    ASN  63           H        ASN  63  15.148  -6.371 -12.794
  512    HA   ASN  63           HA       ASN  63  15.502  -9.289 -12.582
  513   1HB   ASN  63          HB2       ASN  63  14.698  -7.215 -10.545
  514   2HB   ASN  63          HB3       ASN  63  14.926  -8.913 -10.220
  515   1HD2  ASN  63          HD22      ASN  63  16.219  -6.319  -9.337
  516   2HD2  ASN  63          HD21      ASN  63  17.927  -6.744  -9.342
  517    H    VAL  64           H        VAL  64  13.635  -9.719 -14.163
  518    HA   VAL  64           HA       VAL  64  10.953  -9.005 -13.183
  519    HB   VAL  64           HB       VAL  64  11.090  -8.985 -15.474
  520   1HG1  VAL  64          HG11      VAL  64  11.817 -10.861 -16.935
  521   2HG1  VAL  64          HG12      VAL  64  13.125 -10.133 -16.006
  522   3HG1  VAL  64          HG13      VAL  64  12.441 -11.703 -15.501
  523   1HG2  VAL  64          HG21      VAL  64   9.467 -10.556 -16.238
  524   2HG2  VAL  64          HG22      VAL  64   9.854 -11.689 -14.930
  525   3HG2  VAL  64          HG23      VAL  64   9.077 -10.136 -14.559
  526    H    VAL  65           H        VAL  65   9.891 -10.109 -11.641
  527    HA   VAL  65           HA       VAL  65  10.460 -12.974 -11.217
  528    HB   VAL  65           HB       VAL  65  10.553 -12.772  -8.846
  529   1HG1  VAL  65          HG11      VAL  65  12.608 -11.610  -8.427
  530   2HG1  VAL  65          HG12      VAL  65  12.696 -12.350 -10.035
  531   3HG1  VAL  65          HG13      VAL  65  12.414 -10.599  -9.872
  532   1HG2  VAL  65          HG21      VAL  65  10.531 -10.576  -7.636
  533   2HG2  VAL  65          HG22      VAL  65  10.015  -9.782  -9.136
  534   3HG2  VAL  65          HG23      VAL  65   8.977 -10.988  -8.348
  535    H    ALA  66           H        ALA  66   8.638 -14.010 -10.031
  536    HA   ALA  66           HA       ALA  66   6.041 -12.673 -10.722
  537   1HB   ALA  66          HB1       ALA  66   7.045 -14.713 -12.064
  538   2HB   ALA  66          HB2       ALA  66   6.439 -15.640 -10.681
  539   3HB   ALA  66          HB3       ALA  66   5.324 -14.648 -11.639
  540    H    VAL  67           H        VAL  67   4.207 -13.367  -9.503
  541    HA   VAL  67           HA       VAL  67   4.681 -14.865  -6.999
  542    HB   VAL  67           HB       VAL  67   2.805 -12.486  -7.186
  543   1HG1  VAL  67          HG11      VAL  67   2.989 -12.600  -4.708
  544   2HG1  VAL  67          HG12      VAL  67   2.415 -14.130  -5.378
  545   3HG1  VAL  67          HG13      VAL  67   4.104 -13.971  -4.846
  546   1HG2  VAL  67          HG21      VAL  67   4.521 -11.160  -5.941
  547   2HG2  VAL  67          HG22      VAL  67   5.713 -12.434  -6.263
  548   3HG2  VAL  67          HG23      VAL  67   4.977 -11.505  -7.600
  549    H    HIS  68           H        HIS  68   3.403 -16.665  -7.142
  550    HA   HIS  68           HA       HIS  68   1.109 -16.615  -9.056
  551   1HB   HIS  68          HB2       HIS  68   2.666 -18.430  -9.422
  552   2HB   HIS  68          HB3       HIS  68   2.610 -18.885  -7.718
  553    HD1  HIS  68           HD1      HIS  68   0.239 -20.026  -6.877
  554    HD2  HIS  68           HD2      HIS  68   0.550 -19.065 -10.962
  555    HE1  HIS  68           HE1      HIS  68  -1.780 -21.059  -8.015
  556    H    MET  69           H        MET  69  -0.859 -16.198  -8.134
  557    HA   MET  69           HA       MET  69  -1.181 -16.793  -5.240
  558   1HB   MET  69          HB2       MET  69  -2.682 -14.950  -5.060
  559   2HB   MET  69          HB3       MET  69  -1.011 -14.498  -5.371
  560   1HG   MET  69          HG2       MET  69  -1.433 -13.639  -7.468
  561   2HG   MET  69          HG3       MET  69  -2.885 -14.586  -7.731
  562   1HE   MET  69          HE1       MET  69  -4.793 -14.165  -5.318
  563   2HE   MET  69          HE2       MET  69  -5.692 -12.745  -5.891
  564   3HE   MET  69          HE3       MET  69  -5.238 -14.029  -7.034
  565    HA   PRO  70           HA       PRO  70  -4.473 -19.536  -6.834
  566   1HB   PRO  70          HB2       PRO  70  -4.919 -19.389  -3.836
  567   2HB   PRO  70          HB3       PRO  70  -5.090 -20.787  -4.918
  568   1HG   PRO  70          HG2       PRO  70  -2.833 -20.513  -3.430
  569   2HG   PRO  70          HG3       PRO  70  -2.639 -20.900  -5.170
  570   1HD   PRO  70          HD2       PRO  70  -2.454 -18.174  -3.848
  571   2HD   PRO  70          HD3       PRO  70  -1.368 -18.938  -5.046
  572    H    ARG  71           H        ARG  71  -6.603 -19.248  -7.215
  573    HA   ARG  71           HA       ARG  71  -8.205 -17.281  -5.614
  574   1HB   ARG  71          HB2       ARG  71  -8.470 -18.074  -8.507
  575   2HB   ARG  71          HB3       ARG  71  -9.530 -16.960  -7.654
  576   1HG   ARG  71          HG2       ARG  71  -7.838 -15.293  -7.391
  577   2HG   ARG  71          HG3       ARG  71  -6.530 -16.387  -7.865
  578   1HD   ARG  71          HD2       ARG  71  -8.783 -15.530  -9.669
  579   2HD   ARG  71          HD3       ARG  71  -7.135 -14.849  -9.680
  580    HE   ARG  71           HE       ARG  71  -6.568 -17.454  -9.918
  581   1HH1  ARG  71          HH11      ARG  71  -8.985 -15.585 -11.755
  582   2HH1  ARG  71          HH12      ARG  71  -9.124 -16.762 -13.006
  583   1HH2  ARG  71          HH21      ARG  71  -6.661 -18.928 -11.568
  584   2HH2  ARG  71          HH22      ARG  71  -7.784 -18.732 -12.888
  585    H    SER  72           H        SER  72  -7.828 -20.587  -6.665
  586    HA   SER  72           HA       SER  72 -10.381 -21.488  -5.545
  587   1HB   SER  72          HB2       SER  72  -9.543 -22.158  -8.403
  588   2HB   SER  72          HB3       SER  72 -11.055 -22.590  -7.597
  589    HG   SER  72           HG       SER  72 -11.330 -20.846  -9.043
  590    H    GLU  73           H        GLU  73 -10.326 -23.960  -5.489
  591    HA   GLU  73           HA       GLU  73  -7.786 -25.075  -4.823
  592   1HB   GLU  73          HB2       GLU  73  -9.982 -25.917  -4.041
  593   2HB   GLU  73          HB3       GLU  73 -10.350 -26.477  -5.679
  594   1HG   GLU  73          HG2       GLU  73  -8.404 -28.013  -5.595
  595   2HG   GLU  73          HG3       GLU  73  -7.970 -27.396  -3.998
  596    H    ASP  74           H        ASP  74  -9.726 -25.050  -7.822
  597    HA   ASP  74           HA       ASP  74  -7.870 -26.605  -9.382
  598   1HB   ASP  74          HB2       ASP  74 -10.351 -26.438  -9.762
  599   2HB   ASP  74          HB3       ASP  74 -10.127 -24.765 -10.276
  600    H    ASP  75           H        ASP  75  -7.043 -23.972  -8.015
  601    HA   ASP  75           HA       ASP  75  -5.558 -22.797 -10.307
  602   1HB   ASP  75          HB2       ASP  75  -7.677 -21.500  -9.623
  603   2HB   ASP  75          HB3       ASP  75  -6.818 -21.148  -8.110
  604    H    LEU  76           H        LEU  76  -5.139 -24.587  -7.670
  605    HA   LEU  76           HA       LEU  76  -2.571 -23.277  -6.995
  606   1HB   LEU  76          HB2       LEU  76  -2.911 -23.610  -4.628
  607   2HB   LEU  76          HB3       LEU  76  -4.143 -22.602  -5.363
  608    HG   LEU  76           HG       LEU  76  -5.774 -24.411  -5.270
  609   1HD1  LEU  76          HD11      LEU  76  -4.516 -26.472  -5.213
  610   2HD1  LEU  76          HD12      LEU  76  -3.626 -25.954  -3.757
  611   3HD1  LEU  76          HD13      LEU  76  -5.361 -26.333  -3.683
  612   1HD2  LEU  76          HD21      LEU  76  -6.118 -24.265  -2.814
  613   2HD2  LEU  76          HD22      LEU  76  -4.443 -23.695  -2.617
  614   3HD2  LEU  76          HD23      LEU  76  -5.631 -22.715  -3.501
  615    H    ASP  77           H        ASP  77  -3.846 -26.012  -8.257
  616    HA   ASP  77           HA       ASP  77  -2.784 -28.143  -6.864
  617   1HB   ASP  77          HB2       ASP  77  -4.327 -28.406  -8.693
  618   2HB   ASP  77          HB3       ASP  77  -3.124 -27.831  -9.848
  619    HA   PRO  78           HA       PRO  78   1.592 -26.995  -7.001
  620   1HB   PRO  78          HB2       PRO  78   1.831 -29.946  -6.402
  621   2HB   PRO  78          HB3       PRO  78   2.716 -28.572  -5.671
  622   1HG   PRO  78          HG2       PRO  78   0.607 -29.691  -4.385
  623   2HG   PRO  78          HG3       PRO  78   0.789 -27.904  -4.425
  624   1HD   PRO  78          HD2       PRO  78  -1.050 -29.643  -6.071
  625   2HD   PRO  78          HD3       PRO  78  -1.349 -28.029  -5.366
  626    H    GLY  79           H        GLY  79   0.338 -29.851  -8.737
  627   1HA   GLY  79          HA2       GLY  79   2.696 -30.280 -10.378
  628   2HA   GLY  79          HA3       GLY  79   1.079 -31.006 -10.557
  629    H    LYS  80           H        LYS  80  -0.595 -28.754 -10.747
  630    HA   LYS  80           HA       LYS  80  -0.064 -28.009 -13.470
  631   1HB   LYS  80          HB2       LYS  80  -2.328 -28.347 -12.538
  632   2HB   LYS  80          HB3       LYS  80  -2.145 -26.832 -11.616
  633   1HG   LYS  80          HG2       LYS  80  -1.842 -25.562 -13.640
  634   2HG   LYS  80          HG3       LYS  80  -1.692 -27.016 -14.630
  635   1HD   LYS  80          HD2       LYS  80  -4.069 -27.522 -14.314
  636   2HD   LYS  80          HD3       LYS  80  -4.245 -26.139 -13.200
  637   1HE   LYS  80          HE2       LYS  80  -3.164 -24.729 -15.075
  638   2HE   LYS  80          HE3       LYS  80  -3.418 -26.117 -16.122
  639   1HZ   LYS  80          HZ1       LYS  80  -5.548 -24.562 -14.711
  640   2HZ   LYS  80          HZ2       LYS  80  -5.264 -24.562 -16.322
  641   3HZ   LYS  80          HZ3       LYS  80  -5.838 -25.909 -15.608
  642    H    ILE  81           H        ILE  81   0.648 -26.283 -10.399
  643    HA   ILE  81           HA       ILE  81   1.215 -23.750 -11.631
  644    HB   ILE  81           HB       ILE  81   2.375 -25.075  -9.177
  645   1HG1  ILE  81          HG12      ILE  81   0.489 -22.699  -9.192
  646   2HG1  ILE  81          HG13      ILE  81  -0.192 -24.302  -9.436
  647   1HG2  ILE  81          HG21      ILE  81   2.654 -22.181 -10.131
  648   2HG2  ILE  81          HG22      ILE  81   3.131 -22.768  -8.528
  649   3HG2  ILE  81          HG23      ILE  81   3.967 -23.361  -9.958
  650   1HD1  ILE  81          HD11      ILE  81   1.580 -23.621  -7.079
  651   2HD1  ILE  81          HD12      ILE  81  -0.198 -23.661  -7.056
  652   3HD1  ILE  81          HD13      ILE  81   0.733 -25.138  -7.419
  653    H    LYS  82           H        LYS  82   3.387 -26.465 -10.811
  654    HA   LYS  82           HA       LYS  82   5.634 -25.493 -12.241
  655   1HB   LYS  82          HB2       LYS  82   5.931 -27.275 -10.695
  656   2HB   LYS  82          HB3       LYS  82   4.695 -28.275 -11.470
  657   1HG   LYS  82          HG2       LYS  82   6.825 -29.200 -12.003
  658   2HG   LYS  82          HG3       LYS  82   6.121 -28.516 -13.477
  659   1HD   LYS  82          HD2       LYS  82   7.624 -26.561 -13.324
  660   2HD   LYS  82          HD3       LYS  82   8.143 -27.049 -11.710
  661   1HE   LYS  82          HE2       LYS  82   9.904 -27.604 -13.225
  662   2HE   LYS  82          HE3       LYS  82   9.181 -29.102 -12.639
  663   1HZ   LYS  82          HZ1       LYS  82   8.645 -27.863 -15.280
  664   2HZ   LYS  82          HZ2       LYS  82   9.595 -29.157 -15.017
  665   3HZ   LYS  82          HZ3       LYS  82   7.995 -29.279 -14.754
  666    H    GLU  83           H        GLU  83   3.022 -27.710 -13.411
  667    HA   GLU  83           HA       GLU  83   4.299 -28.108 -15.903
  668   1HB   GLU  83          HB2       GLU  83   1.450 -28.575 -14.971
  669   2HB   GLU  83          HB3       GLU  83   1.956 -28.915 -16.627
  670   1HG   GLU  83          HG2       GLU  83   3.700 -30.446 -15.853
  671   2HG   GLU  83          HG3       GLU  83   3.305 -30.118 -14.173
  672    H    THR  84           H        THR  84   1.665 -25.755 -15.019
  673    HA   THR  84           HA       THR  84   1.450 -24.700 -17.653
  674    HB   THR  84           HB       THR  84   1.073 -23.214 -15.019
  675    HG1  THR  84           HG1      THR  84  -0.129 -24.994 -14.842
  676   1HG2  THR  84          HG21      THR  84  -0.334 -22.869 -17.702
  677   2HG2  THR  84          HG22      THR  84  -0.697 -21.974 -16.211
  678   3HG2  THR  84          HG23      THR  84   0.867 -21.751 -17.011
  679    H    ALA  85           H        ALA  85   3.759 -24.010 -15.010
  680    HA   ALA  85           HA       ALA  85   4.975 -21.809 -16.349
  681   1HB   ALA  85          HB1       ALA  85   6.139 -23.696 -14.269
  682   2HB   ALA  85          HB2       ALA  85   6.942 -22.248 -14.890
  683   3HB   ALA  85          HB3       ALA  85   5.432 -22.072 -13.993
  684    H    ALA  86           H        ALA  86   5.373 -25.305 -16.764
  685    HA   ALA  86           HA       ALA  86   7.726 -24.994 -18.475
  686   1HB   ALA  86          HB1       ALA  86   7.375 -27.359 -18.991
  687   2HB   ALA  86          HB2       ALA  86   7.274 -27.106 -17.237
  688   3HB   ALA  86          HB3       ALA  86   5.794 -27.345 -18.194
  689    H    GLU  87           H        GLU  87   4.169 -25.341 -18.870
  690    HA   GLU  87           HA       GLU  87   4.340 -25.690 -21.695
  691   1HB   GLU  87          HB2       GLU  87   2.055 -25.034 -19.800
  692   2HB   GLU  87          HB3       GLU  87   1.789 -25.193 -21.531
  693   1HG   GLU  87          HG2       GLU  87   3.016 -27.400 -19.820
  694   2HG   GLU  87          HG3       GLU  87   1.302 -27.265 -20.190
  695    H    HIS  88           H        HIS  88   4.107 -22.782 -19.738
  696    HA   HIS  88           HA       HIS  88   3.859 -21.152 -22.227
  697   1HB   HIS  88          HB2       HIS  88   3.064 -20.542 -19.371
  698   2HB   HIS  88          HB3       HIS  88   3.014 -19.382 -20.698
  699    HD1  HIS  88           HD1      HIS  88   0.977 -19.607 -22.424
  700    HD2  HIS  88           HD2      HIS  88   1.249 -22.606 -19.487
  701    HE1  HIS  88           HE1      HIS  88  -1.200 -20.920 -22.538
  702    H    ASP  89           H        ASP  89   6.297 -22.343 -20.496
  703    HA   ASP  89           HA       ASP  89   8.472 -21.842 -20.395
  704   1HB   ASP  89          HB2       ASP  89   8.078 -21.356 -22.817
  705   2HB   ASP  89          HB3       ASP  89   7.923 -19.642 -22.426
  706    H    ILE  90           H        ILE  90   6.900 -20.859 -18.421
  707    HA   ILE  90           HA       ILE  90   7.651 -18.120 -17.701
  708    HB   ILE  90           HB       ILE  90   6.270 -20.161 -15.938
  709   1HG1  ILE  90          HG12      ILE  90   4.747 -18.444 -17.929
  710   2HG1  ILE  90          HG13      ILE  90   4.920 -20.199 -17.981
  711   1HG2  ILE  90          HG21      ILE  90   5.348 -18.173 -14.862
  712   2HG2  ILE  90          HG22      ILE  90   7.104 -18.050 -15.016
  713   3HG2  ILE  90          HG23      ILE  90   6.043 -17.147 -16.142
  714   1HD1  ILE  90          HD11      ILE  90   3.910 -20.140 -15.532
  715   2HD1  ILE  90          HD12      ILE  90   3.289 -18.565 -16.033
  716   3HD1  ILE  90          HD13      ILE  90   2.858 -20.026 -16.936
  717    H    THR  91           H        THR  91   9.996 -18.420 -17.670
  718    HA   THR  91           HA       THR  91  11.033 -20.374 -15.683
  719    HB   THR  91           HB       THR  91  13.082 -20.290 -17.138
  720    HG1  THR  91           HG1      THR  91  12.898 -19.424 -19.115
  721   1HG2  THR  91          HG21      THR  91  12.149 -21.806 -18.815
  722   2HG2  THR  91          HG22      THR  91  11.409 -22.133 -17.239
  723   3HG2  THR  91          HG23      THR  91  10.502 -21.234 -18.475
  724    H    GLN  92           H        GLN  92  10.500 -17.111 -15.780
  725    HA   GLN  92           HA       GLN  92  12.929 -16.127 -14.569
  726   1HB   GLN  92          HB2       GLN  92  11.739 -14.163 -14.143
  727   2HB   GLN  92          HB3       GLN  92  11.138 -14.700 -15.691
  728   1HG   GLN  92          HG2       GLN  92   9.662 -15.061 -13.040
  729   2HG   GLN  92          HG3       GLN  92   9.434 -13.727 -14.135
  730   1HE2  GLN  92          HE22      GLN  92   7.106 -14.603 -13.864
  731   2HE2  GLN  92          HE21      GLN  92   6.642 -15.886 -14.948
  732    HA   PRO  93           HA       PRO  93  12.388 -17.715 -10.383
  733   1HB   PRO  93          HB2       PRO  93  12.628 -14.869  -9.420
  734   2HB   PRO  93          HB3       PRO  93  13.484 -16.336  -8.848
  735   1HG   PRO  93          HG2       PRO  93  14.738 -14.545 -10.458
  736   2HG   PRO  93          HG3       PRO  93  14.950 -16.307 -10.721
  737   1HD   PRO  93          HD2       PRO  93  13.135 -14.393 -12.202
  738   2HD   PRO  93          HD3       PRO  93  14.192 -15.684 -12.851
  739    H    ILE  94           H        ILE  94  10.588 -18.141  -9.091
  740    HA   ILE  94           HA       ILE  94   8.261 -16.290  -9.256
  741    HB   ILE  94           HB       ILE  94   8.412 -19.273  -9.851
  742   1HG1  ILE  94          HG12      ILE  94   8.174 -16.874 -11.515
  743   2HG1  ILE  94          HG13      ILE  94   8.598 -18.504 -11.941
  744   1HG2  ILE  94          HG21      ILE  94   5.935 -19.300  -9.937
  745   2HG2  ILE  94          HG22      ILE  94   6.539 -18.956  -8.335
  746   3HG2  ILE  94          HG23      ILE  94   5.899 -17.629  -9.310
  747   1HD1  ILE  94          HD11      ILE  94   6.629 -17.419 -13.073
  748   2HD1  ILE  94          HD12      ILE  94   6.391 -19.099 -12.501
  749   3HD1  ILE  94          HD13      ILE  94   5.703 -17.680 -11.641
  750    H    PHE  95           H        PHE  95   7.423 -15.850  -7.348
  751    HA   PHE  95           HA       PHE  95   7.992 -17.493  -4.937
  752   1HB   PHE  95          HB2       PHE  95   6.435 -14.894  -5.413
  753   2HB   PHE  95          HB3       PHE  95   6.589 -15.694  -3.865
  754    HD1  PHE  95           HD1      PHE  95   8.223 -13.394  -6.240
  755    HD2  PHE  95           HD2      PHE  95   8.809 -15.822  -2.707
  756    HE1  PHE  95           HE1      PHE  95  10.250 -12.110  -5.685
  757    HE2  PHE  95           HE2      PHE  95  10.832 -14.508  -2.157
  758    HZ   PHE  95           HZ       PHE  95  11.562 -12.651  -3.646
  759    H    VAL  96           H        VAL  96   6.300 -18.985  -4.266
  760    HA   VAL  96           HA       VAL  96   3.681 -18.733  -5.683
  761    HB   VAL  96           HB       VAL  96   4.943 -21.334  -4.732
  762   1HG1  VAL  96          HG11      VAL  96   2.459 -21.290  -4.853
  763   2HG1  VAL  96          HG12      VAL  96   2.552 -20.757  -6.539
  764   3HG1  VAL  96          HG13      VAL  96   3.155 -22.348  -6.090
  765   1HG2  VAL  96          HG21      VAL  96   6.301 -20.557  -6.625
  766   2HG2  VAL  96          HG22      VAL  96   5.301 -21.928  -7.100
  767   3HG2  VAL  96          HG23      VAL  96   4.821 -20.289  -7.588
  768    H    ASP  97           H        ASP  97   1.949 -18.613  -4.300
  769    HA   ASP  97           HA       ASP  97   2.660 -18.697  -1.414
  770   1HB   ASP  97          HB2       ASP  97   2.324 -16.390  -2.323
  771   2HB   ASP  97          HB3       ASP  97   0.627 -16.823  -2.632
  772    H    SER  98           H        SER  98   1.064 -19.424   0.077
  773    HA   SER  98           HA       SER  98  -0.497 -21.578  -0.847
  774   1HB   SER  98          HB2       SER  98  -0.829 -20.125   1.791
  775   2HB   SER  98          HB3       SER  98  -1.127 -21.836   1.421
  776    HG   SER  98           HG       SER  98   0.870 -21.545   2.490
  777    H    ASP  99           H        ASP  99  -1.347 -18.112  -0.400
  778    HA   ASP  99           HA       ASP  99  -3.732 -18.606  -1.925
  779   1HB   ASP  99          HB2       ASP  99  -4.564 -19.304   0.357
  780   2HB   ASP  99          HB3       ASP  99  -4.249 -17.670   0.919
  781    H    HIS 100           H        HIS 100  -2.029 -16.198   0.217
  782    HA   HIS 100           HA       HIS 100  -2.522 -14.073  -1.654
  783   1HB   HIS 100          HB2       HIS 100  -4.120 -12.772  -0.290
  784   2HB   HIS 100          HB3       HIS 100  -4.811 -14.297  -0.770
  785    HD1  HIS 100           HD1      HIS 100  -5.816 -15.724   1.158
  786    HD2  HIS 100           HD2      HIS 100  -3.111 -12.759   2.431
  787    HE1  HIS 100           HE1      HIS 100  -5.901 -15.712   3.713
  788    H    ALA 101           H        ALA 101  -0.404 -15.180   0.667
  789    HA   ALA 101           HA       ALA 101  -0.392 -13.256   2.665
  790   1HB   ALA 101          HB1       ALA 101   2.108 -14.593   1.556
  791   2HB   ALA 101          HB2       ALA 101   1.889 -13.916   3.176
  792   3HB   ALA 101          HB3       ALA 101   0.962 -15.349   2.688
  793    H    LEU 102           H        LEU 102   1.947 -13.003  -0.125
  794    HA   LEU 102           HA       LEU 102   2.734 -10.364   0.566
  795   1HB   LEU 102          HB2       LEU 102   3.776 -12.078  -1.093
  796   2HB   LEU 102          HB3       LEU 102   2.677 -11.401  -2.273
  797    HG   LEU 102           HG       LEU 102   5.076 -10.113  -0.889
  798   1HD1  LEU 102          HD11      LEU 102   5.469 -11.466  -2.879
  799   2HD1  LEU 102          HD12      LEU 102   4.308 -10.500  -3.805
  800   3HD1  LEU 102          HD13      LEU 102   5.785  -9.756  -3.214
  801   1HD2  LEU 102          HD21      LEU 102   3.578  -8.252  -0.790
  802   2HD2  LEU 102          HD22      LEU 102   4.638  -8.005  -2.169
  803   3HD2  LEU 102          HD23      LEU 102   2.985  -8.538  -2.435
  804    H    THR 103           H        THR 103  -0.081 -11.602  -1.262
  805    HA   THR 103           HA       THR 103  -0.820  -9.231  -2.611
  806    HB   THR 103           HB       THR 103  -2.857 -11.198  -1.566
  807    HG1  THR 103           HG1      THR 103  -2.195 -12.635  -3.293
  808   1HG2  THR 103          HG21      THR 103  -2.302 -10.161  -4.350
  809   2HG2  THR 103          HG22      THR 103  -3.785 -10.943  -3.739
  810   3HG2  THR 103          HG23      THR 103  -3.311  -9.330  -3.133
  811    H    ASP 104           H        ASP 104  -1.457 -10.470   0.679
  812    HA   ASP 104           HA       ASP 104  -3.318  -8.294   1.345
  813   1HB   ASP 104          HB2       ASP 104  -3.676 -10.533   2.231
  814   2HB   ASP 104          HB3       ASP 104  -2.042 -10.592   2.898
  815    H    ALA 105           H        ALA 105   0.095  -8.878   1.393
  816    HA   ALA 105           HA       ALA 105   0.717  -7.248   3.725
  817   1HB   ALA 105          HB1       ALA 105   2.221  -9.120   2.864
  818   2HB   ALA 105          HB2       ALA 105   2.587  -8.088   1.451
  819   3HB   ALA 105          HB3       ALA 105   3.047  -7.561   3.072
  820    H    PHE 106           H        PHE 106   0.417  -6.807   0.265
  821    HA   PHE 106           HA       PHE 106   0.854  -3.896   0.622
  822   1HB   PHE 106          HB2       PHE 106   2.336  -3.777  -0.993
  823   2HB   PHE 106          HB3       PHE 106   2.768  -5.283  -0.287
  824    HD1  PHE 106           HD1      PHE 106   3.728  -4.231  -2.877
  825    HD2  PHE 106           HD2      PHE 106   0.365  -6.788  -1.980
  826    HE1  PHE 106           HE1      PHE 106   3.792  -5.130  -5.185
  827    HE2  PHE 106           HE2      PHE 106   0.479  -7.713  -4.273
  828    HZ   PHE 106           HZ       PHE 106   2.139  -6.830  -5.893
  829    H    GLU 107           H        GLU 107  -1.500  -5.693   0.482
  830    HA   GLU 107           HA       GLU 107  -3.572  -5.838  -0.399
  831   1HB   GLU 107          HB2       GLU 107  -3.080  -2.880  -0.052
  832   2HB   GLU 107          HB3       GLU 107  -4.695  -3.601  -0.261
  833   1HG   GLU 107          HG2       GLU 107  -4.307  -5.006   1.756
  834   2HG   GLU 107          HG3       GLU 107  -2.744  -4.222   1.999
  835    H    ASN 108           H        ASN 108  -2.074  -6.447  -2.570
  836    HA   ASN 108           HA       ASN 108  -2.916  -4.937  -4.895
  837   1HB   ASN 108          HB2       ASN 108  -1.014  -6.337  -5.139
  838   2HB   ASN 108          HB3       ASN 108  -1.846  -7.734  -4.427
  839   1HD2  ASN 108          HD22      ASN 108  -1.692  -9.154  -6.238
  840   2HD2  ASN 108          HD21      ASN 108  -2.768  -8.865  -7.583
  841    H    GLU 109           H        GLU 109  -5.143  -4.588  -4.761
  842    HA   GLU 109           HA       GLU 109  -7.006  -6.683  -4.073
  843   1HB   GLU 109          HB2       GLU 109  -7.370  -3.884  -5.230
  844   2HB   GLU 109          HB3       GLU 109  -8.701  -4.933  -4.728
  845   1HG   GLU 109          HG2       GLU 109  -7.748  -5.033  -2.424
  846   2HG   GLU 109          HG3       GLU 109  -6.516  -3.867  -2.897
  847    H    TYR 110           H        TYR 110  -5.165  -6.937  -6.659
  848    HA   TYR 110           HA       TYR 110  -7.359  -7.555  -8.595
  849   1HB   TYR 110          HB2       TYR 110  -4.768  -6.139  -9.286
  850   2HB   TYR 110          HB3       TYR 110  -6.152  -6.409 -10.330
  851    HD1  TYR 110           HD1      TYR 110  -8.301  -5.114  -9.916
  852    HD2  TYR 110           HD2      TYR 110  -4.622  -4.237  -7.841
  853    HE1  TYR 110           HE1      TYR 110  -9.201  -2.894  -9.267
  854    HE2  TYR 110           HE2      TYR 110  -5.508  -2.023  -7.181
  855    HH   TYR 110           HH       TYR 110  -7.318  -0.552  -7.291
  856    H    VAL 111           H        VAL 111  -6.322  -8.666 -10.584
  857    HA   VAL 111           HA       VAL 111  -3.952 -10.231  -9.937
  858    HB   VAL 111           HB       VAL 111  -6.173 -11.767 -11.260
  859   1HG1  VAL 111          HG11      VAL 111  -3.746 -12.548  -9.550
  860   2HG1  VAL 111          HG12      VAL 111  -4.845 -13.668 -10.384
  861   3HG1  VAL 111          HG13      VAL 111  -3.772 -12.618 -11.309
  862   1HG2  VAL 111          HG21      VAL 111  -5.702 -11.561  -8.267
  863   2HG2  VAL 111          HG22      VAL 111  -7.193 -11.147  -9.147
  864   3HG2  VAL 111          HG23      VAL 111  -6.659 -12.821  -9.062
  865    HA   PRO 112           HA       PRO 112  -1.866 -10.504 -13.651
  866   1HB   PRO 112          HB2       PRO 112  -3.135  -9.425 -15.901
  867   2HB   PRO 112          HB3       PRO 112  -2.676 -11.124 -15.541
  868   1HG   PRO 112          HG2       PRO 112  -5.327  -9.773 -14.974
  869   2HG   PRO 112          HG3       PRO 112  -5.026 -11.380 -15.726
  870   1HD   PRO 112          HD2       PRO 112  -5.640 -11.296 -13.192
  871   2HD   PRO 112          HD3       PRO 112  -4.233 -12.279 -13.643
  872    H    ALA 113           H        ALA 113  -1.188  -9.164 -12.000
  873    HA   ALA 113           HA       ALA 113  -1.595  -6.243 -12.377
  874   1HB   ALA 113          HB1       ALA 113  -1.702  -6.007  -9.938
  875   2HB   ALA 113          HB2       ALA 113  -3.012  -7.068 -10.493
  876   3HB   ALA 113          HB3       ALA 113  -1.568  -7.764  -9.731
  877    H    TYR 114           H        TYR 114   0.261  -4.992 -11.832
  878    HA   TYR 114           HA       TYR 114   2.752  -6.532 -11.423
  879   1HB   TYR 114          HB2       TYR 114   3.107  -4.841 -13.707
  880   2HB   TYR 114          HB3       TYR 114   3.306  -6.568 -13.573
  881    HD1  TYR 114           HD1      TYR 114   0.742  -3.927 -14.236
  882    HD2  TYR 114           HD2      TYR 114   1.747  -8.090 -14.648
  883    HE1  TYR 114           HE1      TYR 114  -1.150  -4.210 -15.816
  884    HE2  TYR 114           HE2      TYR 114  -0.142  -8.394 -16.217
  885    HH   TYR 114           HH       TYR 114  -2.341  -5.710 -17.158
  886    H    TYR 115           H        TYR 115   4.430  -5.337 -10.694
  887    HA   TYR 115           HA       TYR 115   3.980  -2.492  -9.936
  888   1HB   TYR 115          HB2       TYR 115   4.814  -4.836  -8.157
  889   2HB   TYR 115          HB3       TYR 115   4.808  -3.148  -7.678
  890    HD1  TYR 115           HD1      TYR 115   2.524  -5.938  -8.788
  891    HD2  TYR 115           HD2      TYR 115   2.918  -2.268  -6.553
  892    HE1  TYR 115           HE1      TYR 115   0.165  -6.135  -8.054
  893    HE2  TYR 115           HE2      TYR 115   0.553  -2.504  -5.783
  894    HH   TYR 115           HH       TYR 115  -1.657  -4.962  -7.111
  895    H    VAL 116           H        VAL 116   5.853  -1.330 -10.405
  896    HA   VAL 116           HA       VAL 116   8.261  -2.901 -11.190
  897    HB   VAL 116           HB       VAL 116   7.505  -0.258 -12.448
  898   1HG1  VAL 116          HG11      VAL 116   8.783  -1.129 -14.311
  899   2HG1  VAL 116          HG12      VAL 116   9.736  -1.347 -12.836
  900   3HG1  VAL 116          HG13      VAL 116   8.897  -2.736 -13.556
  901   1HG2  VAL 116          HG21      VAL 116   5.439  -1.439 -12.829
  902   2HG2  VAL 116          HG22      VAL 116   6.375  -1.482 -14.321
  903   3HG2  VAL 116          HG23      VAL 116   6.305  -2.919 -13.279
  904    H    PHE 117           H        PHE 117   9.941  -2.466  -9.885
  905    HA   PHE 117           HA       PHE 117   9.958   0.052  -8.297
  906   1HB   PHE 117          HB2       PHE 117  11.159  -2.689  -7.723
  907   2HB   PHE 117          HB3       PHE 117  11.330  -1.277  -6.707
  908    HD1  PHE 117           HD1      PHE 117   8.651  -3.525  -8.164
  909    HD2  PHE 117           HD2      PHE 117   9.830  -0.988  -4.881
  910    HE1  PHE 117           HE1      PHE 117   6.733  -4.320  -6.848
  911    HE2  PHE 117           HE2      PHE 117   7.857  -1.718  -3.611
  912    HZ   PHE 117           HZ       PHE 117   6.306  -3.422  -4.570
  913    H    ASP 118           H        ASP 118  11.870   1.227  -8.241
  914    HA   ASP 118           HA       ASP 118  13.666   1.065 -10.511
  915   1HB   ASP 118          HB2       ASP 118  12.858   3.101  -9.027
  916   2HB   ASP 118          HB3       ASP 118  14.201   2.651  -8.002
  917    H    LYS 119           H        LYS 119  16.199   1.178  -9.935
  918    HA   LYS 119           HA       LYS 119  16.930  -1.393  -8.864
  919   1HB   LYS 119          HB2       LYS 119  19.280  -0.520  -9.045
  920   2HB   LYS 119          HB3       LYS 119  18.374  -0.509 -10.547
  921   1HG   LYS 119          HG2       LYS 119  18.298   1.767 -10.700
  922   2HG   LYS 119          HG3       LYS 119  18.310   2.041  -8.961
  923   1HD   LYS 119          HD2       LYS 119  20.796   1.015 -10.418
  924   2HD   LYS 119          HD3       LYS 119  20.379   2.737 -10.301
  925   1HE   LYS 119          HE2       LYS 119  20.225   2.539  -7.816
  926   2HE   LYS 119          HE3       LYS 119  20.756   0.857  -7.924
  927   1HZ   LYS 119          HZ1       LYS 119  22.854   1.641  -8.857
  928   2HZ   LYS 119          HZ2       LYS 119  22.337   3.206  -8.821
  929   3HZ   LYS 119          HZ3       LYS 119  22.572   2.375  -7.424
  930    H    THR 120           H        THR 120  16.237   1.524  -7.191
  931    HA   THR 120           HA       THR 120  17.843   1.129  -4.830
  932    HB   THR 120           HB       THR 120  16.060   2.701  -3.918
  933    HG1  THR 120           HG1      THR 120  14.577   3.445  -5.509
  934   1HG2  THR 120          HG21      THR 120  17.994   3.713  -5.158
  935   2HG2  THR 120          HG22      THR 120  17.039   3.610  -6.664
  936   3HG2  THR 120          HG23      THR 120  16.474   4.625  -5.325
  937    H    GLY 121           H        GLY 121  14.832  -0.191  -6.121
  938   1HA   GLY 121          HA2       GLY 121  13.557  -1.957  -5.280
  939   2HA   GLY 121          HA3       GLY 121  14.260  -1.750  -3.666
  940    H    GLN 122           H        GLN 122  13.128   1.122  -5.490
  941    HA   GLN 122           HA       GLN 122  10.830   1.293  -3.606
  942   1HB   GLN 122          HB2       GLN 122  11.114   3.541  -3.355
  943   2HB   GLN 122          HB3       GLN 122  12.762   2.932  -3.353
  944   1HG   GLN 122          HG2       GLN 122  13.071   4.746  -4.687
  945   2HG   GLN 122          HG3       GLN 122  12.648   3.592  -5.953
  946   1HE2  GLN 122          HE22      GLN 122  10.772   3.904  -7.109
  947   2HE2  GLN 122          HE21      GLN 122   9.619   5.198  -6.817
  948    H    LEU 123           H        LEU 123   8.836   1.632  -4.374
  949    HA   LEU 123           HA       LEU 123   8.321   0.607  -6.931
  950   1HB   LEU 123          HB2       LEU 123   6.894   0.335  -4.918
  951   2HB   LEU 123          HB3       LEU 123   6.492   2.048  -4.954
  952    HG   LEU 123           HG       LEU 123   5.328   1.793  -7.065
  953   1HD1  LEU 123          HD11      LEU 123   6.500   0.051  -8.245
  954   2HD1  LEU 123          HD12      LEU 123   6.305  -1.105  -6.929
  955   3HD1  LEU 123          HD13      LEU 123   4.913  -0.620  -7.922
  956   1HD2  LEU 123          HD21      LEU 123   4.454  -0.438  -5.209
  957   2HD2  LEU 123          HD22      LEU 123   4.119   1.291  -4.946
  958   3HD2  LEU 123          HD23      LEU 123   3.442   0.464  -6.354
  959    H    ARG 124           H        ARG 124   8.316   1.593  -8.903
  960    HA   ARG 124           HA       ARG 124   8.125   4.559  -9.088
  961   1HB   ARG 124          HB2       ARG 124   8.983   2.334 -10.990
  962   2HB   ARG 124          HB3       ARG 124   8.636   3.951 -11.574
  963   1HG   ARG 124          HG2       ARG 124  10.686   3.405  -9.400
  964   2HG   ARG 124          HG3       ARG 124  11.061   3.423 -11.130
  965   1HD   ARG 124          HD2       ARG 124   9.947   5.768 -11.155
  966   2HD   ARG 124          HD3       ARG 124  10.144   5.744  -9.397
  967    HE   ARG 124           HE       ARG 124  12.646   5.190 -10.029
  968   1HH1  ARG 124          HH11      ARG 124  10.606   7.535 -11.856
  969   2HH1  ARG 124          HH12      ARG 124  12.038   8.250 -12.579
  970   1HH2  ARG 124          HH21      ARG 124  14.328   6.202 -10.952
  971   2HH2  ARG 124          HH22      ARG 124  14.083   7.579 -12.055
  972    H    HIS 125           H        HIS 125   6.492   1.564 -10.338
  973    HA   HIS 125           HA       HIS 125   4.059   3.183 -10.860
  974   1HB   HIS 125          HB2       HIS 125   5.191   1.296 -12.957
  975   2HB   HIS 125          HB3       HIS 125   3.841   2.406 -13.124
  976    HD1  HIS 125           HD1      HIS 125   4.718   5.171 -13.155
  977    HD2  HIS 125           HD2      HIS 125   7.452   2.046 -13.822
  978    HE1  HIS 125           HE1      HIS 125   6.729   6.222 -14.309
  979    H    PHE 126           H        PHE 126   2.150   1.789 -11.116
  980    HA   PHE 126           HA       PHE 126   2.538  -1.055 -11.128
  981   1HB   PHE 126          HB2       PHE 126   1.924  -1.637  -9.088
  982   2HB   PHE 126          HB3       PHE 126   2.189   0.010  -8.567
  983    HD1  PHE 126           HD1      PHE 126   0.233   1.525  -8.181
  984    HD2  PHE 126           HD2      PHE 126  -0.304  -2.569  -9.435
  985    HE1  PHE 126           HE1      PHE 126  -2.178   1.658  -7.604
  986    HE2  PHE 126           HE2      PHE 126  -2.713  -2.428  -8.871
  987    HZ   PHE 126           HZ       PHE 126  -3.658  -0.311  -7.954
  988    H    GLN 127           H        GLN 127   0.604  -2.105 -11.905
  989    HA   GLN 127           HA       GLN 127  -1.798  -0.558 -12.502
  990   1HB   GLN 127          HB2       GLN 127  -0.136  -1.850 -14.702
  991   2HB   GLN 127          HB3       GLN 127  -1.783  -1.288 -14.908
  992   1HG   GLN 127          HG2       GLN 127   0.551   0.574 -14.262
  993   2HG   GLN 127          HG3       GLN 127   0.005   0.200 -15.876
  994   1HE2  GLN 127          HE22      GLN 127  -1.056   1.737 -12.812
  995   2HE2  GLN 127          HE21      GLN 127  -2.295   2.735 -13.558
  996    H    ALA 128           H        ALA 128  -3.375  -2.195 -13.676
  997    HA   ALA 128           HA       ALA 128  -2.676  -4.984 -13.504
  998   1HB   ALA 128          HB1       ALA 128  -3.397  -4.501 -11.158
  999   2HB   ALA 128          HB2       ALA 128  -4.934  -3.866 -11.780
 1000   3HB   ALA 128          HB3       ALA 128  -4.533  -5.592 -11.992
 1001    H    GLY 129           H        GLY 129  -4.179  -6.318 -14.597
 1002   1HA   GLY 129          HA2       GLY 129  -5.775  -6.873 -16.130
 1003   2HA   GLY 129          HA3       GLY 129  -6.682  -5.439 -15.646
 1004    H    GLY 130           H        GLY 130  -7.165  -5.654 -18.019
 1005   1HA   GLY 130          HA2       GLY 130  -6.815  -3.688 -19.629
 1006   2HA   GLY 130          HA3       GLY 130  -5.190  -4.365 -19.828
 1007    H    SER 131           H        SER 131  -6.611  -4.269 -22.121
 1008    HA   SER 131           HA       SER 131  -8.043  -6.686 -22.766
 1009   1HB   SER 131          HB2       SER 131  -7.204  -5.963 -25.123
 1010   2HB   SER 131          HB3       SER 131  -8.335  -4.912 -24.258
 1011    HG   SER 131           HG       SER 131  -6.581  -3.744 -25.152
 1012    H    GLY 132           H        GLY 132  -4.682  -5.725 -22.481
 1013   1HA   GLY 132          HA2       GLY 132  -3.755  -8.368 -21.963
 1014   2HA   GLY 132          HA3       GLY 132  -3.107  -7.754 -23.500
 1015    H    MET 133           H        MET 133  -1.339  -8.111 -21.454
 1016    HA   MET 133           HA       MET 133  -1.044  -5.873 -19.669
 1017   1HB   MET 133          HB2       MET 133  -0.376  -8.104 -19.073
 1018   2HB   MET 133          HB3       MET 133   0.662  -8.255 -20.486
 1019   1HG   MET 133          HG2       MET 133   2.219  -6.594 -19.532
 1020   2HG   MET 133          HG3       MET 133   1.183  -6.435 -18.113
 1021   1HE   MET 133          HE1       MET 133   4.508  -8.320 -17.014
 1022   2HE   MET 133          HE2       MET 133   4.255  -6.987 -18.170
 1023   3HE   MET 133          HE3       MET 133   3.417  -6.976 -16.601
 1024    H    LYS 134           H        LYS 134  -0.541  -5.789 -22.986
 1025    HA   LYS 134           HA       LYS 134   1.975  -5.193 -23.640
 1026   1HB   LYS 134          HB2       LYS 134   0.113  -5.263 -25.204
 1027   2HB   LYS 134          HB3       LYS 134  -0.470  -3.702 -24.629
 1028   1HG   LYS 134          HG2       LYS 134   0.680  -3.489 -26.763
 1029   2HG   LYS 134          HG3       LYS 134   1.522  -2.577 -25.516
 1030   1HD   LYS 134          HD2       LYS 134   3.245  -4.358 -25.349
 1031   2HD   LYS 134          HD3       LYS 134   2.356  -5.332 -26.543
 1032   1HE   LYS 134          HE2       LYS 134   2.645  -3.523 -28.219
 1033   2HE   LYS 134          HE3       LYS 134   3.506  -2.543 -27.024
 1034   1HZ   LYS 134          HZ1       LYS 134   5.012  -3.717 -28.506
 1035   2HZ   LYS 134          HZ2       LYS 134   5.257  -4.201 -26.967
 1036   3HZ   LYS 134          HZ3       LYS 134   4.445  -5.167 -28.025
 1037    H    MET 135           H        MET 135  -0.061  -2.526 -22.283
 1038    HA   MET 135           HA       MET 135   2.028  -0.590 -22.577
 1039   1HB   MET 135          HB2       MET 135   0.637   0.768 -20.945
 1040   2HB   MET 135          HB3       MET 135  -0.107   0.260 -22.445
 1041   1HG   MET 135          HG2       MET 135  -1.844  -0.229 -21.208
 1042   2HG   MET 135          HG3       MET 135  -1.044  -1.742 -20.867
 1043   1HE   MET 135          HE1       MET 135  -0.097  -2.455 -18.770
 1044   2HE   MET 135          HE2       MET 135   0.987  -1.143 -18.220
 1045   3HE   MET 135          HE3       MET 135  -0.342  -1.697 -17.188
 1046    H    LEU 136           H        LEU 136   1.929  -3.166 -20.277
 1047    HA   LEU 136           HA       LEU 136   3.437  -1.745 -18.263
 1048   1HB   LEU 136          HB2       LEU 136   2.037  -4.045 -18.190
 1049   2HB   LEU 136          HB3       LEU 136   3.609  -4.729 -18.554
 1050    HG   LEU 136           HG       LEU 136   3.130  -4.750 -16.188
 1051   1HD1  LEU 136          HD11      LEU 136   5.274  -2.692 -16.493
 1052   2HD1  LEU 136          HD12      LEU 136   5.029  -3.847 -15.181
 1053   3HD1  LEU 136          HD13      LEU 136   5.462  -4.451 -16.787
 1054   1HD2  LEU 136          HD21      LEU 136   2.786  -2.774 -14.809
 1055   2HD2  LEU 136          HD22      LEU 136   3.053  -1.694 -16.172
 1056   3HD2  LEU 136          HD23      LEU 136   1.615  -2.730 -16.140
 1057    H    GLU 137           H        GLU 137   4.228  -3.484 -21.282
 1058    HA   GLU 137           HA       GLU 137   7.014  -3.680 -21.000
 1059   1HB   GLU 137          HB2       GLU 137   5.572  -4.404 -22.981
 1060   2HB   GLU 137          HB3       GLU 137   5.559  -2.692 -23.499
 1061   1HG   GLU 137          HG2       GLU 137   7.871  -2.691 -23.966
 1062   2HG   GLU 137          HG3       GLU 137   8.188  -4.107 -22.973
 1063    H    LYS 138           H        LYS 138   4.955  -0.829 -21.677
 1064    HA   LYS 138           HA       LYS 138   7.270   0.898 -22.118
 1065   1HB   LYS 138          HB2       LYS 138   4.286   1.368 -21.850
 1066   2HB   LYS 138          HB3       LYS 138   5.446   2.718 -21.855
 1067   1HG   LYS 138          HG2       LYS 138   6.364   2.078 -23.958
 1068   2HG   LYS 138          HG3       LYS 138   5.502   0.509 -23.960
 1069   1HD   LYS 138          HD2       LYS 138   4.414   2.005 -25.510
 1070   2HD   LYS 138          HD3       LYS 138   3.337   1.693 -24.138
 1071   1HE   LYS 138          HE2       LYS 138   3.960   3.889 -23.148
 1072   2HE   LYS 138          HE3       LYS 138   5.088   4.178 -24.480
 1073   1HZ   LYS 138          HZ1       LYS 138   3.194   4.184 -25.996
 1074   2HZ   LYS 138          HZ2       LYS 138   2.148   3.916 -24.767
 1075   3HZ   LYS 138          HZ3       LYS 138   2.989   5.308 -24.837
 1076    H    ARG 139           H        ARG 139   5.189   0.149 -19.263
 1077    HA   ARG 139           HA       ARG 139   6.448   2.250 -17.709
 1078   1HB   ARG 139          HB2       ARG 139   5.287  -0.291 -16.517
 1079   2HB   ARG 139          HB3       ARG 139   5.477   1.282 -15.756
 1080   1HG   ARG 139          HG2       ARG 139   3.473   0.477 -17.886
 1081   2HG   ARG 139          HG3       ARG 139   3.143   0.889 -16.214
 1082   1HD   ARG 139          HD2       ARG 139   3.747   3.248 -16.649
 1083   2HD   ARG 139          HD3       ARG 139   4.196   2.839 -18.309
 1084    HE   ARG 139           HE       ARG 139   1.999   2.588 -18.934
 1085   1HH1  ARG 139          HH21      ARG 139   2.123   3.351 -15.475
 1086   2HH1  ARG 139          HH22      ARG 139   0.415   3.498 -15.300
 1087   1HH2  ARG 139          HH11      ARG 139  -0.286   2.669 -18.677
 1088   2HH2  ARG 139          HH12      ARG 139  -0.979   2.826 -17.106
 1089    H    VAL 140           H        VAL 140   7.253  -1.187 -18.286
 1090    HA   VAL 140           HA       VAL 140   9.451  -1.373 -16.439
 1091    HB   VAL 140           HB       VAL 140   8.853  -2.715 -19.109
 1092   1HG1  VAL 140          HG11      VAL 140  10.482  -4.434 -18.535
 1093   2HG1  VAL 140          HG12      VAL 140  11.255  -2.872 -18.767
 1094   3HG1  VAL 140          HG13      VAL 140  11.003  -3.483 -17.114
 1095   1HG2  VAL 140          HG21      VAL 140   8.659  -3.821 -16.247
 1096   2HG2  VAL 140          HG22      VAL 140   7.285  -3.260 -17.194
 1097   3HG2  VAL 140          HG23      VAL 140   8.186  -4.663 -17.742
 1098    H    ASN 141           H        ASN 141   9.150  -0.506 -19.954
 1099    HA   ASN 141           HA       ASN 141  11.914  -0.185 -20.132
 1100   1HB   ASN 141          HB2       ASN 141   9.669   0.669 -21.952
 1101   2HB   ASN 141          HB3       ASN 141  11.261   1.386 -22.190
 1102   1HD2  ASN 141          HD22      ASN 141   9.596  -1.787 -22.034
 1103   2HD2  ASN 141          HD21      ASN 141  10.806  -2.631 -22.998
 1104    H    ARG 142           H        ARG 142   9.427   2.147 -19.129
 1105    HA   ARG 142           HA       ARG 142  11.154   4.458 -19.247
 1106   1HB   ARG 142          HB2       ARG 142   8.648   3.838 -17.664
 1107   2HB   ARG 142          HB3       ARG 142   9.439   5.400 -17.676
 1108   1HG   ARG 142          HG2       ARG 142   7.403   4.536 -19.327
 1109   2HG   ARG 142          HG3       ARG 142   8.324   6.027 -19.452
 1110   1HD   ARG 142          HD2       ARG 142   8.972   3.497 -21.017
 1111   2HD   ARG 142          HD3       ARG 142   7.933   4.745 -21.602
 1112    HE   ARG 142           HE       ARG 142  10.824   4.755 -21.476
 1113   1HH1  ARG 142          HH21      ARG 142   8.002   6.906 -21.638
 1114   2HH1  ARG 142          HH22      ARG 142   8.877   8.232 -22.308
 1115   1HH2  ARG 142          HH11      ARG 142  11.993   6.532 -22.350
 1116   2HH2  ARG 142          HH12      ARG 142  11.190   8.008 -22.719
 1117    H    VAL 143           H        VAL 143  10.499   2.033 -16.641
 1118    HA   VAL 143           HA       VAL 143  12.298   3.331 -14.816
 1119    HB   VAL 143           HB       VAL 143  11.465   0.421 -14.991
 1120   1HG1  VAL 143          HG11      VAL 143  12.769   1.988 -12.716
 1121   2HG1  VAL 143          HG12      VAL 143  12.134   0.326 -12.601
 1122   3HG1  VAL 143          HG13      VAL 143  13.511   0.681 -13.658
 1123   1HG2  VAL 143          HG21      VAL 143   9.920   1.077 -13.121
 1124   2HG2  VAL 143          HG22      VAL 143  10.416   2.772 -13.342
 1125   3HG2  VAL 143          HG23      VAL 143   9.552   1.923 -14.625
 1126    H    LEU 144           H        LEU 144  12.828   1.052 -17.540
 1127    HA   LEU 144           HA       LEU 144  15.607   0.537 -16.871
 1128   1HB   LEU 144          HB2       LEU 144  14.315   0.484 -19.639
 1129   2HB   LEU 144          HB3       LEU 144  15.893  -0.148 -19.211
 1130    HG   LEU 144           HG       LEU 144  13.202  -1.239 -18.342
 1131   1HD1  LEU 144          HD11      LEU 144  13.863  -3.190 -19.620
 1132   2HD1  LEU 144          HD12      LEU 144  13.934  -1.741 -20.637
 1133   3HD1  LEU 144          HD13      LEU 144  15.434  -2.447 -20.003
 1134   1HD2  LEU 144          HD21      LEU 144  14.481  -3.035 -17.205
 1135   2HD2  LEU 144          HD22      LEU 144  15.972  -2.093 -17.441
 1136   3HD2  LEU 144          HD23      LEU 144  14.646  -1.459 -16.436
 1137    H    ALA 145           H        ALA 145  13.931   2.898 -18.884
 1138    HA   ALA 145           HA       ALA 145  16.205   4.225 -19.934
 1139   1HB   ALA 145          HB1       ALA 145  14.606   6.047 -20.444
 1140   2HB   ALA 145          HB2       ALA 145  13.904   4.458 -20.833
 1141   3HB   ALA 145          HB3       ALA 145  13.403   5.312 -19.364
 1142    H    GLU 146           H        GLU 146  14.351   4.673 -16.944
 1143    HA   GLU 146           HA       GLU 146  15.767   6.981 -15.976
 1144   1HB   GLU 146          HB2       GLU 146  13.806   4.936 -14.923
 1145   2HB   GLU 146          HB3       GLU 146  14.531   6.091 -13.812
 1146   1HG   GLU 146          HG2       GLU 146  13.035   6.928 -16.340
 1147   2HG   GLU 146          HG3       GLU 146  12.261   6.719 -14.774
 1148    H    THR 147           H        THR 147  16.384   3.496 -15.747
 1149    HA   THR 147           HA       THR 147  17.936   3.498 -13.369
 1150    HB   THR 147           HB       THR 147  18.012   1.654 -15.795
 1151    HG1  THR 147           HG1      THR 147  15.989   1.839 -14.638
 1152   1HG2  THR 147          HG21      THR 147  20.021   1.269 -14.432
 1153   2HG2  THR 147          HG22      THR 147  19.027   1.165 -12.961
 1154   3HG2  THR 147          HG23      THR 147  18.879  -0.061 -14.240
 1155    H    GLU 148           H        GLU 148  20.140   3.728 -13.010
 1156    HA   GLU 148           HA       GLU 148  21.548   5.671 -14.487
 1157   1HB   GLU 148          HB2       GLU 148  22.529   3.631 -12.442
 1158   2HB   GLU 148          HB3       GLU 148  23.489   4.980 -13.062
 1159   1HG   GLU 148          HG2       GLU 148  21.792   6.585 -12.194
 1160   2HG   GLU 148          HG3       GLU 148  20.872   5.239 -11.517
  Start of MODEL    6
    1   1H    MET   1           H1       MET   1  -0.629   1.395  -1.487
    2   2H    MET   1           H2       MET   1  -0.171   0.134  -0.540
    3   3H    MET   1           H3       MET   1   0.077   1.671  -0.040
    4    HA   MET   1           HA       MET   1   2.159   0.712  -0.796
    5   1HB   MET   1          HB2       MET   1   0.655   0.311  -3.398
    6   2HB   MET   1          HB3       MET   1   2.412   0.352  -3.256
    7   1HG   MET   1          HG2       MET   1   0.543  -1.606  -1.921
    8   2HG   MET   1          HG3       MET   1   1.713  -1.938  -3.189
    9   1HE   MET   1          HE1       MET   1   5.087  -2.261  -1.462
   10   2HE   MET   1          HE2       MET   1   4.093  -2.512  -2.914
   11   3HE   MET   1          HE3       MET   1   4.500  -0.850  -2.371
   12    H    LYS   2           H        LYS   2   3.045   2.658  -0.285
   13    HA   LYS   2           HA       LYS   2   2.453   5.103  -1.826
   14   1HB   LYS   2          HB2       LYS   2   4.693   4.385   0.136
   15   2HB   LYS   2          HB3       LYS   2   4.504   5.964  -0.638
   16   1HG   LYS   2          HG2       LYS   2   2.270   6.226   0.393
   17   2HG   LYS   2          HG3       LYS   2   2.455   4.659   1.208
   18   1HD   LYS   2          HD2       LYS   2   4.485   5.510   2.369
   19   2HD   LYS   2          HD3       LYS   2   4.267   7.091   1.612
   20   1HE   LYS   2          HE2       LYS   2   2.251   5.722   3.458
   21   2HE   LYS   2          HE3       LYS   2   3.429   6.929   3.977
   22   1HZ   LYS   2          HZ1       LYS   2   1.244   7.421   2.038
   23   2HZ   LYS   2          HZ2       LYS   2   1.296   7.940   3.580
   24   3HZ   LYS   2          HZ3       LYS   2   2.361   8.527   2.499
   25    H    LEU   3           H        LEU   3   3.712   5.869  -3.544
   26    HA   LEU   3           HA       LEU   3   5.390   3.998  -5.010
   27   1HB   LEU   3          HB2       LEU   3   4.851   6.952  -5.517
   28   2HB   LEU   3          HB3       LEU   3   5.626   5.821  -6.624
   29    HG   LEU   3           HG       LEU   3   2.724   5.785  -5.706
   30   1HD1  LEU   3          HD11      LEU   3   2.233   6.203  -8.068
   31   2HD1  LEU   3          HD12      LEU   3   3.285   7.466  -7.413
   32   3HD1  LEU   3          HD13      LEU   3   3.968   6.199  -8.452
   33   1HD2  LEU   3          HD21      LEU   3   3.369   3.469  -5.888
   34   2HD2  LEU   3          HD22      LEU   3   2.429   3.886  -7.318
   35   3HD2  LEU   3          HD23      LEU   3   4.201   3.761  -7.437
   36    H    ARG   4           H        ARG   4   6.588   3.836  -2.919
   37    HA   ARG   4           HA       ARG   4   9.158   5.246  -2.930
   38   1HB   ARG   4          HB2       ARG   4   7.290   5.342  -0.505
   39   2HB   ARG   4          HB3       ARG   4   8.985   5.806  -0.489
   40   1HG   ARG   4          HG2       ARG   4   6.803   7.189  -2.072
   41   2HG   ARG   4          HG3       ARG   4   7.440   7.710  -0.516
   42   1HD   ARG   4          HD2       ARG   4   9.713   7.941  -1.524
   43   2HD   ARG   4          HD3       ARG   4   9.053   7.547  -3.107
   44    HE   ARG   4           HE       ARG   4   8.777  10.028  -1.575
   45   1HH1  ARG   4          HH11      ARG   4   7.494   8.192  -4.349
   46   2HH1  ARG   4          HH12      ARG   4   6.889   9.599  -5.156
   47   1HH2  ARG   4          HH21      ARG   4   7.930  11.869  -2.635
   48   2HH2  ARG   4          HH22      ARG   4   7.119  11.722  -4.147
   49    H    GLN   5           H        GLN   5   6.876   2.921  -1.442
   50    HA   GLN   5           HA       GLN   5   8.408   1.865   0.498
   51   1HB   GLN   5          HB2       GLN   5   6.208   0.690  -1.187
   52   2HB   GLN   5          HB3       GLN   5   7.050  -0.361  -0.044
   53   1HG   GLN   5          HG2       GLN   5   6.528   1.103   1.830
   54   2HG   GLN   5          HG3       GLN   5   5.792   2.294   0.749
   55   1HE2  GLN   5          HE22      GLN   5   5.491  -1.272   1.513
   56   2HE2  GLN   5          HE21      GLN   5   3.766  -1.301   1.280
   57    HA   PRO   6           HA       PRO   6  11.511  -0.724  -1.403
   58   1HB   PRO   6          HB2       PRO   6  12.724  -1.746   0.792
   59   2HB   PRO   6          HB3       PRO   6  12.741   0.005   0.474
   60   1HG   PRO   6          HG2       PRO   6  10.820  -1.516   2.273
   61   2HG   PRO   6          HG3       PRO   6  11.787  -0.060   2.674
   62   1HD   PRO   6          HD2       PRO   6   9.176   0.063   1.819
   63   2HD   PRO   6          HD3       PRO   6  10.376   1.337   1.445
   64    H    MET   7           H        MET   7   9.214  -1.755  -1.952
   65    HA   MET   7           HA       MET   7   7.904  -3.554  -2.328
   66   1HB   MET   7          HB2       MET   7  10.454  -5.035  -1.597
   67   2HB   MET   7          HB3       MET   7   8.974  -5.925  -1.876
   68   1HG   MET   7          HG2       MET   7   8.733  -5.112  -4.082
   69   2HG   MET   7          HG3       MET   7   9.877  -3.806  -3.810
   70   1HE   MET   7          HE1       MET   7  12.068  -3.722  -4.291
   71   2HE   MET   7          HE2       MET   7  12.847  -4.850  -5.445
   72   3HE   MET   7          HE3       MET   7  11.285  -4.075  -5.844
   73    HA   PRO   8           HA       PRO   8   6.168  -4.858   1.704
   74   1HB   PRO   8          HB2       PRO   8   4.451  -6.848   1.076
   75   2HB   PRO   8          HB3       PRO   8   4.189  -5.180   0.501
   76   1HG   PRO   8          HG2       PRO   8   5.483  -7.480  -0.986
   77   2HG   PRO   8          HG3       PRO   8   4.162  -6.420  -1.544
   78   1HD   PRO   8          HD2       PRO   8   6.774  -5.921  -2.211
   79   2HD   PRO   8          HD3       PRO   8   5.603  -4.602  -1.925
   80    H    GLU   9           H        GLU   9   5.693  -7.511   2.560
   81    HA   GLU   9           HA       GLU   9   8.356  -8.228   3.208
   82   1HB   GLU   9          HB2       GLU   9   5.885  -9.941   3.721
   83   2HB   GLU   9          HB3       GLU   9   7.341  -9.871   4.711
   84   1HG   GLU   9          HG2       GLU   9   5.230  -7.711   4.380
   85   2HG   GLU   9          HG3       GLU   9   5.442  -8.751   5.783
   86    H    LEU  10           H        LEU  10   6.696  -9.024   0.656
   87    HA   LEU  10           HA       LEU  10   6.583 -10.707  -0.957
   88   1HB   LEU  10          HB2       LEU  10   9.551 -10.947  -0.450
   89   2HB   LEU  10          HB3       LEU  10   8.644 -11.396  -1.904
   90    HG   LEU  10           HG       LEU  10   9.023  -8.568  -0.857
   91   1HD1  LEU  10          HD11      LEU  10  10.197  -9.964  -3.300
   92   2HD1  LEU  10          HD12      LEU  10  10.452  -8.271  -2.825
   93   3HD1  LEU  10          HD13      LEU  10  11.067  -9.576  -1.797
   94   1HD2  LEU  10          HD21      LEU  10   7.959  -7.886  -3.000
   95   2HD2  LEU  10          HD22      LEU  10   7.684  -9.594  -3.410
   96   3HD2  LEU  10          HD23      LEU  10   6.843  -8.868  -2.033
   97    H    THR  11           H        THR  11   5.591 -11.634   1.226
   98    HA   THR  11           HA       THR  11   6.675 -14.189   2.057
   99    HB   THR  11           HB       THR  11   5.274 -12.962   3.547
  100    HG1  THR  11           HG1      THR  11   4.007 -14.604   4.165
  101   1HG2  THR  11          HG21      THR  11   3.815 -11.697   2.046
  102   2HG2  THR  11          HG22      THR  11   3.042 -13.207   1.501
  103   3HG2  THR  11          HG23      THR  11   2.849 -12.635   3.178
  104    H    GLY  12           H        GLY  12   5.640 -16.269   1.545
  105   1HA   GLY  12          HA2       GLY  12   4.200 -16.820  -0.851
  106   2HA   GLY  12          HA3       GLY  12   5.944 -16.790  -1.200
  107    H    GLU  13           H        GLU  13   3.892 -17.864   1.559
  108    HA   GLU  13           HA       GLU  13   5.799 -19.711   2.477
  109   1HB   GLU  13          HB2       GLU  13   2.828 -19.558   3.109
  110   2HB   GLU  13          HB3       GLU  13   4.039 -20.442   4.042
  111   1HG   GLU  13          HG2       GLU  13   5.267 -18.264   4.401
  112   2HG   GLU  13          HG3       GLU  13   3.911 -17.431   3.638
  113    H    LYS  14           H        LYS  14   3.629 -20.241  -0.195
  114    HA   LYS  14           HA       LYS  14   3.465 -23.126   0.245
  115   1HB   LYS  14          HB2       LYS  14   1.922 -21.604  -1.276
  116   2HB   LYS  14          HB3       LYS  14   3.154 -21.919  -2.482
  117   1HG   LYS  14          HG2       LYS  14   2.621 -24.466  -1.296
  118   2HG   LYS  14          HG3       LYS  14   1.063 -23.673  -1.339
  119   1HD   LYS  14          HD2       LYS  14   1.359 -25.035  -3.330
  120   2HD   LYS  14          HD3       LYS  14   1.273 -23.337  -3.773
  121   1HE   LYS  14          HE2       LYS  14   3.026 -24.362  -5.087
  122   2HE   LYS  14          HE3       LYS  14   3.766 -23.257  -3.928
  123   1HZ   LYS  14          HZ1       LYS  14   4.887 -25.457  -4.131
  124   2HZ   LYS  14          HZ2       LYS  14   4.460 -25.099  -2.603
  125   3HZ   LYS  14          HZ3       LYS  14   3.585 -26.191  -3.473
  126    H    ALA  15           H        ALA  15   5.850 -20.943  -0.919
  127    HA   ALA  15           HA       ALA  15   8.083 -21.635  -0.563
  128   1HB   ALA  15          HB1       ALA  15   9.114 -23.520  -1.707
  129   2HB   ALA  15          HB2       ALA  15   7.769 -24.097  -0.722
  130   3HB   ALA  15          HB3       ALA  15   7.585 -23.934  -2.494
  131    H    TRP  16           H        TRP  16   9.881 -21.505  -2.245
  132    HA   TRP  16           HA       TRP  16   9.176 -19.668  -4.437
  133   1HB   TRP  16          HB2       TRP  16  11.536 -19.511  -4.754
  134   2HB   TRP  16          HB3       TRP  16  11.180 -19.279  -3.056
  135    HD1  TRP  16           HD1      TRP  16  12.283 -20.987  -1.353
  136    HE1  TRP  16           HE1      TRP  16  14.046 -22.817  -1.570
  137    HE3  TRP  16           HE3      TRP  16  12.358 -21.370  -6.415
  138    HZ2  TRP  16           HZ2      TRP  16  15.338 -24.313  -3.725
  139    HZ3  TRP  16           HZ3      TRP  16  13.878 -22.998  -7.563
  140    HH2  TRP  16           HH2      TRP  16  15.362 -24.467  -6.215
  141    H    LEU  17           H        LEU  17   9.808 -20.190  -6.637
  142    HA   LEU  17           HA       LEU  17  10.038 -23.027  -7.428
  143   1HB   LEU  17          HB2       LEU  17   7.619 -22.624  -7.225
  144   2HB   LEU  17          HB3       LEU  17   7.782 -21.085  -8.070
  145    HG   LEU  17           HG       LEU  17   8.468 -22.316 -10.147
  146   1HD1  LEU  17          HD11      LEU  17   7.662 -24.777  -8.514
  147   2HD1  LEU  17          HD12      LEU  17   7.946 -24.747 -10.265
  148   3HD1  LEU  17          HD13      LEU  17   9.284 -24.438  -9.154
  149   1HD2  LEU  17          HD21      LEU  17   6.187 -23.102 -10.671
  150   2HD2  LEU  17          HD22      LEU  17   5.777 -23.122  -8.937
  151   3HD2  LEU  17          HD23      LEU  17   6.131 -21.587  -9.758
  152    H    ASN  18           H        ASN  18  11.058 -23.141  -9.464
  153    HA   ASN  18           HA       ASN  18  12.446 -22.585 -11.035
  154   1HB   ASN  18          HB2       ASN  18  10.212 -20.622 -11.563
  155   2HB   ASN  18          HB3       ASN  18  11.630 -20.584 -12.581
  156   1HD2  ASN  18          HD22      ASN  18   9.728 -21.029 -14.193
  157   2HD2  ASN  18          HD21      ASN  18   9.505 -22.725 -14.544
  158    H    GLY  19           H        GLY  19  12.563 -20.729  -8.496
  159   1HA   GLY  19          HA2       GLY  19  15.154 -20.070  -8.390
  160   2HA   GLY  19          HA3       GLY  19  14.494 -18.717  -9.329
  161    H    GLU  20           H        GLU  20  15.587 -18.514  -6.761
  162    HA   GLU  20           HA       GLU  20  13.325 -17.644  -5.033
  163   1HB   GLU  20          HB2       GLU  20  14.504 -19.731  -4.348
  164   2HB   GLU  20          HB3       GLU  20  16.035 -18.864  -4.340
  165   1HG   GLU  20          HG2       GLU  20  13.751 -17.805  -2.692
  166   2HG   GLU  20          HG3       GLU  20  14.562 -19.269  -2.144
  167    H    VAL  21           H        VAL  21  13.456 -15.493  -4.445
  168    HA   VAL  21           HA       VAL  21  16.021 -14.154  -4.187
  169    HB   VAL  21           HB       VAL  21  15.312 -12.207  -5.571
  170   1HG1  VAL  21          HG11      VAL  21  16.909 -13.884  -6.442
  171   2HG1  VAL  21          HG12      VAL  21  15.570 -14.750  -7.216
  172   3HG1  VAL  21          HG13      VAL  21  15.969 -13.091  -7.721
  173   1HG2  VAL  21          HG21      VAL  21  12.902 -12.564  -5.692
  174   2HG2  VAL  21          HG22      VAL  21  13.571 -12.526  -7.329
  175   3HG2  VAL  21          HG23      VAL  21  13.122 -14.076  -6.596
  176    H    THR  22           H        THR  22  15.600 -11.881  -3.450
  177    HA   THR  22           HA       THR  22  13.078 -11.249  -2.086
  178    HB   THR  22           HB       THR  22  14.556 -10.321  -0.220
  179    HG1  THR  22           HG1      THR  22  16.681 -10.985  -0.148
  180   1HG2  THR  22          HG21      THR  22  15.067 -12.452   0.878
  181   2HG2  THR  22          HG22      THR  22  13.458 -12.503   0.114
  182   3HG2  THR  22          HG23      THR  22  14.840 -13.306  -0.668
  183    H    ARG  23           H        ARG  23  13.215  -8.734  -1.674
  184    HA   ARG  23           HA       ARG  23  14.089  -7.164  -3.842
  185   1HB   ARG  23          HB2       ARG  23  12.664  -6.260  -2.031
  186   2HB   ARG  23          HB3       ARG  23  13.959  -6.513  -0.853
  187   1HG   ARG  23          HG2       ARG  23  15.355  -4.866  -2.245
  188   2HG   ARG  23          HG3       ARG  23  13.879  -4.488  -3.118
  189   1HD   ARG  23          HD2       ARG  23  13.382  -2.987  -1.503
  190   2HD   ARG  23          HD3       ARG  23  13.274  -4.300  -0.324
  191    HE   ARG  23           HE       ARG  23  15.618  -4.060   0.192
  192   1HH1  ARG  23          HH11      ARG  23  14.420  -1.272  -1.729
  193   2HH1  ARG  23          HH12      ARG  23  15.981  -0.561  -1.820
  194   1HH2  ARG  23          HH21      ARG  23  17.463  -3.052   0.277
  195   2HH2  ARG  23          HH22      ARG  23  17.730  -1.446  -0.382
  196    H    GLU  24           H        GLU  24  15.869  -8.306  -0.961
  197    HA   GLU  24           HA       GLU  24  18.059  -6.496  -1.438
  198   1HB   GLU  24          HB2       GLU  24  17.847  -9.019   0.296
  199   2HB   GLU  24          HB3       GLU  24  19.221  -7.921   0.341
  200   1HG   GLU  24          HG2       GLU  24  16.357  -7.137   1.045
  201   2HG   GLU  24          HG3       GLU  24  17.592  -7.604   2.205
  202    H    GLN  25           H        GLN  25  17.356  -9.822  -2.517
  203    HA   GLN  25           HA       GLN  25  20.144 -10.336  -3.122
  204   1HB   GLN  25          HB2       GLN  25  17.555 -11.805  -3.664
  205   2HB   GLN  25          HB3       GLN  25  19.072 -12.338  -4.398
  206   1HG   GLN  25          HG2       GLN  25  20.143 -12.625  -2.247
  207   2HG   GLN  25          HG3       GLN  25  18.764 -11.924  -1.397
  208   1HE2  GLN  25          HE21      GLN  25  16.690 -13.055  -1.522
  209   2HE2  GLN  25          HE22      GLN  25  16.632 -14.816  -1.767
  210    H    LEU  26           H        LEU  26  17.353  -9.118  -4.958
  211    HA   LEU  26           HA       LEU  26  19.014  -9.227  -7.424
  212   1HB   LEU  26          HB2       LEU  26  16.919  -8.889  -8.669
  213   2HB   LEU  26          HB3       LEU  26  17.114 -10.392  -7.811
  214    HG   LEU  26           HG       LEU  26  15.534  -9.780  -6.135
  215   1HD1  LEU  26          HD11      LEU  26  14.122  -7.723  -6.308
  216   2HD1  LEU  26          HD12      LEU  26  15.788  -7.356  -5.902
  217   3HD1  LEU  26          HD13      LEU  26  15.220  -7.107  -7.561
  218   1HD2  LEU  26          HD21      LEU  26  14.767 -10.742  -8.324
  219   2HD2  LEU  26          HD22      LEU  26  13.525  -9.848  -7.428
  220   3HD2  LEU  26          HD23      LEU  26  14.317  -9.098  -8.820
  221    H    ILE  27           H        ILE  27  17.905  -6.798  -5.197
  222    HA   ILE  27           HA       ILE  27  18.212  -4.564  -6.980
  223    HB   ILE  27           HB       ILE  27  18.321  -4.996  -3.999
  224   1HG1  ILE  27          HG12      ILE  27  16.154  -4.557  -4.224
  225   2HG1  ILE  27          HG13      ILE  27  16.593  -2.889  -4.467
  226   1HG2  ILE  27          HG21      ILE  27  20.051  -3.331  -4.203
  227   2HG2  ILE  27          HG22      ILE  27  18.960  -2.277  -5.136
  228   3HG2  ILE  27          HG23      ILE  27  18.613  -2.670  -3.444
  229   1HD1  ILE  27          HD11      ILE  27  16.412  -3.229  -6.912
  230   2HD1  ILE  27          HD12      ILE  27  15.980  -4.941  -6.606
  231   3HD1  ILE  27          HD13      ILE  27  14.919  -3.656  -6.046
  232    H    GLY  28           H        GLY  28  19.856  -3.080  -7.173
  233   1HA   GLY  28          HA2       GLY  28  22.292  -2.914  -6.132
  234   2HA   GLY  28          HA3       GLY  28  22.586  -4.207  -7.313
  235    H    GLU  29           H        GLU  29  21.367  -3.633  -9.529
  236    HA   GLU  29           HA       GLU  29  21.970  -0.808 -10.285
  237   1HB   GLU  29          HB2       GLU  29  23.883  -2.633 -10.585
  238   2HB   GLU  29          HB3       GLU  29  22.889  -3.130 -11.954
  239   1HG   GLU  29          HG2       GLU  29  24.356  -1.588 -12.945
  240   2HG   GLU  29          HG3       GLU  29  22.971  -0.545 -12.596
  241    H    LYS  30           H        LYS  30  19.959  -3.604 -10.696
  242    HA   LYS  30           HA       LYS  30  18.798  -2.460 -13.188
  243   1HB   LYS  30          HB2       LYS  30  18.669  -5.319 -12.140
  244   2HB   LYS  30          HB3       LYS  30  17.994  -4.750 -13.667
  245   1HG   LYS  30          HG2       LYS  30  20.962  -4.707 -12.936
  246   2HG   LYS  30          HG3       LYS  30  20.187  -5.953 -13.894
  247   1HD   LYS  30          HD2       LYS  30  19.950  -4.645 -15.749
  248   2HD   LYS  30          HD3       LYS  30  19.865  -3.114 -14.879
  249   1HE   LYS  30          HE2       LYS  30  22.185  -3.061 -14.428
  250   2HE   LYS  30          HE3       LYS  30  22.411  -4.750 -14.932
  251   1HZ   LYS  30          HZ1       LYS  30  21.653  -2.528 -16.754
  252   2HZ   LYS  30          HZ2       LYS  30  23.139  -3.220 -16.652
  253   3HZ   LYS  30          HZ3       LYS  30  21.868  -4.110 -17.184
  254    HA   PRO  31           HA       PRO  31  15.101  -1.750 -10.735
  255   1HB   PRO  31          HB2       PRO  31  13.277  -1.388 -12.751
  256   2HB   PRO  31          HB3       PRO  31  14.509  -0.163 -12.309
  257   1HG   PRO  31          HG2       PRO  31  14.587  -2.182 -14.561
  258   2HG   PRO  31          HG3       PRO  31  15.004  -0.437 -14.597
  259   1HD   PRO  31          HD2       PRO  31  16.874  -2.441 -14.336
  260   2HD   PRO  31          HD3       PRO  31  17.083  -0.818 -13.625
  261    H    THR  32           H        THR  32  12.809  -2.793 -10.713
  262    HA   THR  32           HA       THR  32  13.034  -5.661 -11.467
  263    HB   THR  32           HB       THR  32  12.286  -4.566  -8.724
  264    HG1  THR  32           HG1      THR  32  14.430  -4.371  -8.898
  265   1HG2  THR  32          HG21      THR  32  12.633  -7.435  -9.698
  266   2HG2  THR  32          HG22      THR  32  12.492  -6.941  -7.997
  267   3HG2  THR  32          HG23      THR  32  11.142  -6.679  -9.102
  268    H    LEU  33           H        LEU  33  11.205  -6.654 -12.021
  269    HA   LEU  33           HA       LEU  33   8.622  -5.170 -11.828
  270   1HB   LEU  33          HB2       LEU  33   9.227  -5.386 -14.161
  271   2HB   LEU  33          HB3       LEU  33   9.754  -7.057 -13.930
  272    HG   LEU  33           HG       LEU  33   7.397  -7.745 -13.466
  273   1HD1  LEU  33          HD11      LEU  33   5.549  -6.243 -13.926
  274   2HD1  LEU  33          HD12      LEU  33   6.520  -5.551 -12.645
  275   3HD1  LEU  33          HD13      LEU  33   6.667  -4.904 -14.292
  276   1HD2  LEU  33          HD21      LEU  33   7.786  -6.290 -16.104
  277   2HD2  LEU  33          HD22      LEU  33   8.360  -7.921 -15.714
  278   3HD2  LEU  33          HD23      LEU  33   6.623  -7.595 -15.768
  279    H    ILE  34           H        ILE  34   7.339  -6.117 -10.341
  280    HA   ILE  34           HA       ILE  34   7.567  -9.054  -9.871
  281    HB   ILE  34           HB       ILE  34   6.065  -7.028  -8.175
  282   1HG1  ILE  34          HG12      ILE  34   8.779  -8.281  -7.599
  283   2HG1  ILE  34          HG13      ILE  34   8.484  -6.589  -7.961
  284   1HG2  ILE  34          HG21      ILE  34   5.163  -9.336  -8.122
  285   2HG2  ILE  34          HG22      ILE  34   6.789  -9.958  -7.688
  286   3HG2  ILE  34          HG23      ILE  34   5.846  -8.925  -6.575
  287   1HD1  ILE  34          HD11      ILE  34   7.005  -6.508  -5.888
  288   2HD1  ILE  34          HD12      ILE  34   7.633  -8.128  -5.489
  289   3HD1  ILE  34          HD13      ILE  34   8.742  -6.764  -5.621
  290    H    HIS  35           H        HIS  35   5.824 -10.235 -10.696
  291    HA   HIS  35           HA       HIS  35   3.351  -8.722 -11.356
  292   1HB   HIS  35          HB2       HIS  35   3.021 -10.055 -13.356
  293   2HB   HIS  35          HB3       HIS  35   4.475  -9.042 -13.505
  294    HD1  HIS  35           HD1      HIS  35   3.253 -12.556 -13.707
  295    HD2  HIS  35           HD2      HIS  35   6.899 -10.508 -13.314
  296    HE1  HIS  35           HE1      HIS  35   5.090 -14.279 -14.066
  297    H    PHE  36           H        PHE  36   1.455  -9.785 -10.984
  298    HA   PHE  36           HA       PHE  36   1.549 -12.431  -9.647
  299   1HB   PHE  36          HB2       PHE  36  -0.324 -10.057  -9.566
  300   2HB   PHE  36          HB3       PHE  36  -0.942 -11.687  -9.316
  301    HD1  PHE  36           HD1      PHE  36   2.115  -9.848  -8.017
  302    HD2  PHE  36           HD2      PHE  36  -1.463 -12.103  -7.171
  303    HE1  PHE  36           HE1      PHE  36   2.627  -9.784  -5.585
  304    HE2  PHE  36           HE2      PHE  36  -0.943 -12.021  -4.761
  305    HZ   PHE  36           HZ       PHE  36   1.063 -10.812  -3.957
  306    H    TRP  37           H        TRP  37   0.532 -14.065 -10.663
  307    HA   TRP  37           HA       TRP  37  -1.379 -13.703 -12.821
  308   1HB   TRP  37          HB2       TRP  37  -0.155 -15.033 -14.431
  309   2HB   TRP  37          HB3       TRP  37   0.834 -13.656 -14.002
  310    HD1  TRP  37           HD1      TRP  37   3.026 -14.225 -12.366
  311    HE1  TRP  37           HE1      TRP  37   4.375 -16.356 -12.058
  312    HE3  TRP  37           HE3      TRP  37  -0.136 -17.548 -14.658
  313    HZ2  TRP  37           HZ2      TRP  37   4.155 -19.183 -12.754
  314    HZ3  TRP  37           HZ3      TRP  37   0.482 -19.925 -14.870
  315    HH2  TRP  37           HH2      TRP  37   2.621 -20.767 -13.907
  316    H    SER  38           H        SER  38  -2.149 -16.118 -13.411
  317    HA   SER  38           HA       SER  38  -1.414 -18.149 -11.468
  318   1HB   SER  38          HB2       SER  38  -4.371 -17.748 -11.919
  319   2HB   SER  38          HB3       SER  38  -3.547 -18.678 -10.667
  320    HG   SER  38           HG       SER  38  -3.580 -17.031  -9.464
  321    H    ILE  39           H        ILE  39  -2.153 -20.309 -12.211
  322    HA   ILE  39           HA       ILE  39  -2.089 -20.659 -15.038
  323    HB   ILE  39           HB       ILE  39  -2.618 -23.042 -14.523
  324   1HG1  ILE  39          HG12      ILE  39  -2.586 -22.196 -11.599
  325   2HG1  ILE  39          HG13      ILE  39  -3.997 -22.757 -12.493
  326   1HG2  ILE  39          HG21      ILE  39  -0.321 -22.043 -14.602
  327   2HG2  ILE  39          HG22      ILE  39  -0.344 -21.976 -12.829
  328   3HG2  ILE  39          HG23      ILE  39  -0.466 -23.534 -13.691
  329   1HD1  ILE  39          HD11      ILE  39  -3.006 -24.505 -11.021
  330   2HD1  ILE  39          HD12      ILE  39  -3.043 -24.986 -12.714
  331   3HD1  ILE  39          HD13      ILE  39  -1.519 -24.477 -11.954
  332    H    SER  40           H        SER  40  -4.715 -19.435 -13.369
  333    HA   SER  40           HA       SER  40  -6.690 -20.780 -15.151
  334   1HB   SER  40          HB2       SER  40  -8.232 -20.378 -13.221
  335   2HB   SER  40          HB3       SER  40  -6.880 -21.465 -12.860
  336    HG   SER  40           HG       SER  40  -6.026 -20.095 -11.556
  337    H    CYS  41           H        CYS  41  -5.529 -17.546 -14.201
  338    HA   CYS  41           HA       CYS  41  -8.110 -16.319 -14.602
  339   1HB   CYS  41          HB2       CYS  41  -6.511 -14.174 -14.607
  340   2HB   CYS  41          HB3       CYS  41  -7.066 -15.002 -13.179
  341    H    HIS  42           H        HIS  42  -9.013 -15.434 -16.313
  342    HA   HIS  42           HA       HIS  42  -8.160 -16.263 -18.864
  343   1HB   HIS  42          HB2       HIS  42 -10.245 -15.329 -19.633
  344   2HB   HIS  42          HB3       HIS  42 -10.513 -16.100 -18.081
  345    HD1  HIS  42           HD1      HIS  42 -10.096 -12.520 -19.534
  346    HD2  HIS  42           HD2      HIS  42 -11.628 -14.595 -16.203
  347    HE1  HIS  42           HE1      HIS  42 -11.342 -10.797 -18.128
  348    H    LEU  43           H        LEU  43  -6.771 -13.693 -17.381
  349    HA   LEU  43           HA       LEU  43  -6.051 -12.599 -20.034
  350   1HB   LEU  43          HB2       LEU  43  -7.596 -11.083 -18.751
  351   2HB   LEU  43          HB3       LEU  43  -6.343 -10.866 -17.552
  352    HG   LEU  43           HG       LEU  43  -6.743  -9.095 -19.369
  353   1HD1  LEU  43          HD11      LEU  43  -4.778  -9.055 -17.862
  354   2HD1  LEU  43          HD12      LEU  43  -3.839  -9.931 -19.088
  355   3HD1  LEU  43          HD13      LEU  43  -4.491  -8.331 -19.445
  356   1HD2  LEU  43          HD21      LEU  43  -6.790 -10.699 -21.286
  357   2HD2  LEU  43          HD22      LEU  43  -5.701  -9.328 -21.523
  358   3HD2  LEU  43          HD23      LEU  43  -5.038 -10.923 -21.099
  359    H    CYS  44           H        CYS  44  -5.022 -13.882 -17.010
  360    HA   CYS  44           HA       CYS  44  -2.296 -13.122 -16.932
  361   1HB   CYS  44          HB2       CYS  44  -3.684 -15.719 -16.150
  362   2HB   CYS  44          HB3       CYS  44  -2.039 -15.291 -15.717
  363    H    LYS  45           H        LYS  45  -4.052 -15.494 -18.952
  364    HA   LYS  45           HA       LYS  45  -1.812 -16.732 -20.094
  365   1HB   LYS  45          HB2       LYS  45  -3.221 -17.684 -21.590
  366   2HB   LYS  45          HB3       LYS  45  -4.371 -17.223 -20.340
  367   1HG   LYS  45          HG2       LYS  45  -3.879 -15.776 -22.977
  368   2HG   LYS  45          HG3       LYS  45  -5.236 -16.830 -22.593
  369   1HD   LYS  45          HD2       LYS  45  -6.039 -15.293 -20.881
  370   2HD   LYS  45          HD3       LYS  45  -4.632 -14.251 -21.094
  371   1HE   LYS  45          HE2       LYS  45  -6.034 -13.079 -22.404
  372   2HE   LYS  45          HE3       LYS  45  -5.327 -14.149 -23.604
  373   1HZ   LYS  45          HZ1       LYS  45  -7.943 -14.499 -22.213
  374   2HZ   LYS  45          HZ2       LYS  45  -7.763 -14.059 -23.778
  375   3HZ   LYS  45          HZ3       LYS  45  -7.353 -15.570 -23.319
  376    H    GLU  46           H        GLU  46  -2.664 -13.384 -20.471
  377    HA   GLU  46           HA       GLU  46  -1.047 -13.177 -22.968
  378   1HB   GLU  46          HB2       GLU  46  -2.527 -11.080 -21.339
  379   2HB   GLU  46          HB3       GLU  46  -1.491 -10.714 -22.715
  380   1HG   GLU  46          HG2       GLU  46  -3.984 -12.429 -22.801
  381   2HG   GLU  46          HG3       GLU  46  -3.866 -10.766 -23.348
  382    H    ALA  47           H        ALA  47  -1.034 -12.444 -19.483
  383    HA   ALA  47           HA       ALA  47   1.385 -10.977 -19.406
  384   1HB   ALA  47          HB1       ALA  47   0.106 -12.694 -17.215
  385   2HB   ALA  47          HB2       ALA  47   1.348 -11.456 -16.981
  386   3HB   ALA  47          HB3       ALA  47  -0.269 -10.982 -17.540
  387    H    MET  48           H        MET  48   0.742 -14.487 -18.859
  388    HA   MET  48           HA       MET  48   3.296 -15.307 -18.182
  389   1HB   MET  48          HB2       MET  48   1.027 -16.620 -19.711
  390   2HB   MET  48          HB3       MET  48   2.450 -17.523 -19.195
  391   1HG   MET  48          HG2       MET  48   1.891 -17.393 -16.945
  392   2HG   MET  48          HG3       MET  48   1.046 -15.868 -17.110
  393   1HE   MET  48          HE1       MET  48   0.825 -19.613 -18.256
  394   2HE   MET  48          HE2       MET  48  -0.918 -19.782 -18.592
  395   3HE   MET  48          HE3       MET  48   0.088 -18.736 -19.620
  396    HA   PRO  49           HA       PRO  49   4.769 -15.910 -22.638
  397   1HB   PRO  49          HB2       PRO  49   3.558 -14.519 -24.716
  398   2HB   PRO  49          HB3       PRO  49   3.234 -16.227 -24.282
  399   1HG   PRO  49          HG2       PRO  49   1.665 -13.763 -23.568
  400   2HG   PRO  49          HG3       PRO  49   1.051 -15.366 -24.056
  401   1HD   PRO  49          HD2       PRO  49   1.141 -14.590 -21.438
  402   2HD   PRO  49          HD3       PRO  49   1.426 -16.281 -21.928
  403    H    GLN  50           H        GLN  50   3.359 -12.620 -21.806
  404    HA   GLN  50           HA       GLN  50   5.610 -11.313 -23.146
  405   1HB   GLN  50          HB2       GLN  50   3.343 -10.379 -21.359
  406   2HB   GLN  50          HB3       GLN  50   4.719  -9.327 -21.756
  407   1HG   GLN  50          HG2       GLN  50   4.190  -9.994 -24.248
  408   2HG   GLN  50          HG3       GLN  50   2.608 -10.464 -23.606
  409   1HE2  GLN  50          HE22      GLN  50   1.365  -8.687 -22.393
  410   2HE2  GLN  50          HE21      GLN  50   1.779  -7.023 -22.671
  411    H    VAL  51           H        VAL  51   4.917 -12.533 -19.917
  412    HA   VAL  51           HA       VAL  51   7.114 -11.366 -18.563
  413    HB   VAL  51           HB       VAL  51   5.307 -13.765 -18.204
  414   1HG1  VAL  51          HG11      VAL  51   7.499 -13.053 -16.250
  415   2HG1  VAL  51          HG12      VAL  51   6.213 -14.279 -16.058
  416   3HG1  VAL  51          HG13      VAL  51   7.464 -14.514 -17.268
  417   1HG2  VAL  51          HG21      VAL  51   4.387 -12.521 -16.396
  418   2HG2  VAL  51          HG22      VAL  51   5.726 -11.349 -16.400
  419   3HG2  VAL  51          HG23      VAL  51   4.548 -11.387 -17.732
  420    H    ASN  52           H        ASN  52   6.710 -14.522 -20.277
  421    HA   ASN  52           HA       ASN  52   9.374 -15.429 -20.129
  422   1HB   ASN  52          HB2       ASN  52   8.294 -17.054 -21.171
  423   2HB   ASN  52          HB3       ASN  52   6.999 -16.005 -21.715
  424   1HD2  ASN  52          HD22      ASN  52   7.030 -15.202 -23.868
  425   2HD2  ASN  52          HD21      ASN  52   8.158 -15.847 -25.050
  426    H    GLU  53           H        GLU  53   7.922 -13.136 -22.473
  427    HA   GLU  53           HA       GLU  53  10.298 -12.755 -23.987
  428   1HB   GLU  53          HB2       GLU  53   7.871 -10.963 -23.601
  429   2HB   GLU  53          HB3       GLU  53   9.247 -10.519 -24.601
  430   1HG   GLU  53          HG2       GLU  53   8.945 -12.586 -25.946
  431   2HG   GLU  53          HG3       GLU  53   7.520 -12.994 -24.990
  432    H    PHE  54           H        PHE  54   9.081 -10.774 -21.138
  433    HA   PHE  54           HA       PHE  54  11.365  -9.076 -21.115
  434   1HB   PHE  54          HB2       PHE  54   9.819 -10.089 -18.698
  435   2HB   PHE  54          HB3       PHE  54  10.847  -8.664 -18.753
  436    HD1  PHE  54           HD1      PHE  54   7.907  -8.940 -17.890
  437    HD2  PHE  54           HD2      PHE  54   9.795  -7.683 -21.545
  438    HE1  PHE  54           HE1      PHE  54   5.948  -7.519 -18.390
  439    HE2  PHE  54           HE2      PHE  54   7.791  -6.289 -22.093
  440    HZ   PHE  54           HZ       PHE  54   5.870  -6.195 -20.512
  441    H    ARG  55           H        ARG  55  10.832 -12.216 -19.547
  442    HA   ARG  55           HA       ARG  55  13.210 -12.373 -18.061
  443   1HB   ARG  55          HB2       ARG  55  11.338 -13.792 -17.678
  444   2HB   ARG  55          HB3       ARG  55  11.360 -14.433 -19.297
  445   1HG   ARG  55          HG2       ARG  55  13.500 -14.968 -17.193
  446   2HG   ARG  55          HG3       ARG  55  12.102 -15.990 -17.508
  447   1HD   ARG  55          HD2       ARG  55  14.544 -15.617 -19.238
  448   2HD   ARG  55          HD3       ARG  55  13.862 -17.060 -18.584
  449    HE   ARG  55           HE       ARG  55  12.500 -15.436 -20.711
  450   1HH1  ARG  55          HH21      ARG  55  13.315 -18.677 -19.443
  451   2HH1  ARG  55          HH22      ARG  55  12.656 -19.481 -20.813
  452   1HH2  ARG  55          HH11      ARG  55  11.645 -16.573 -22.493
  453   2HH2  ARG  55          HH12      ARG  55  11.885 -18.275 -22.621
  454    H    ASP  56           H        ASP  56  12.770 -12.894 -21.592
  455    HA   ASP  56           HA       ASP  56  15.688 -13.608 -21.671
  456   1HB   ASP  56          HB2       ASP  56  14.202 -15.209 -22.709
  457   2HB   ASP  56          HB3       ASP  56  13.489 -13.947 -23.724
  458    H    LYS  57           H        LYS  57  13.461 -11.131 -22.934
  459    HA   LYS  57           HA       LYS  57  15.528  -9.968 -24.631
  460   1HB   LYS  57          HB2       LYS  57  12.782  -8.922 -23.780
  461   2HB   LYS  57          HB3       LYS  57  13.843  -8.167 -24.977
  462   1HG   LYS  57          HG2       LYS  57  13.798 -10.244 -26.335
  463   2HG   LYS  57          HG3       LYS  57  12.682 -10.975 -25.169
  464   1HD   LYS  57          HD2       LYS  57  10.980  -9.277 -25.665
  465   2HD   LYS  57          HD3       LYS  57  12.103  -8.438 -26.760
  466   1HE   LYS  57          HE2       LYS  57  12.238 -10.437 -28.197
  467   2HE   LYS  57          HE3       LYS  57  11.157 -11.322 -27.114
  468   1HZ   LYS  57          HZ1       LYS  57   9.366  -9.891 -27.710
  469   2HZ   LYS  57          HZ2       LYS  57  10.350  -8.858 -28.547
  470   3HZ   LYS  57          HZ3       LYS  57  10.069 -10.365 -29.099
  471    H    TYR  58           H        TYR  58  14.094  -9.241 -21.446
  472    HA   TYR  58           HA       TYR  58  15.884  -6.870 -21.236
  473   1HB   TYR  58          HB2       TYR  58  13.318  -7.445 -19.759
  474   2HB   TYR  58          HB3       TYR  58  14.282  -5.979 -19.657
  475    HD1  TYR  58           HD1      TYR  58  11.367  -6.065 -20.204
  476    HD2  TYR  58           HD2      TYR  58  14.763  -5.920 -22.874
  477    HE1  TYR  58           HE1      TYR  58   9.986  -4.930 -21.907
  478    HE2  TYR  58           HE2      TYR  58  13.383  -4.816 -24.580
  479    HH   TYR  58           HH       TYR  58  11.269  -3.974 -25.120
  480    H    GLN  59           H        GLN  59  15.598  -9.984 -19.877
  481    HA   GLN  59           HA       GLN  59  16.382  -9.981 -17.373
  482   1HB   GLN  59          HB2       GLN  59  18.270 -11.713 -18.016
  483   2HB   GLN  59          HB3       GLN  59  16.575 -12.044 -18.192
  484   1HG   GLN  59          HG2       GLN  59  17.793 -12.847 -20.151
  485   2HG   GLN  59          HG3       GLN  59  16.702 -11.566 -20.619
  486   1HE2  GLN  59          HE22      GLN  59  17.612  -9.935 -21.934
  487   2HE2  GLN  59          HE21      GLN  59  19.290  -9.499 -21.944
  488    H    ASP  60           H        ASP  60  18.688  -8.441 -19.656
  489    HA   ASP  60           HA       ASP  60  20.735  -8.292 -17.509
  490   1HB   ASP  60          HB2       ASP  60  21.411  -9.160 -19.725
  491   2HB   ASP  60          HB3       ASP  60  20.945  -7.629 -20.462
  492    H    GLN  61           H        GLN  61  18.142  -6.601 -18.446
  493    HA   GLN  61           HA       GLN  61  19.233  -3.864 -17.979
  494   1HB   GLN  61          HB2       GLN  61  16.849  -4.689 -19.688
  495   2HB   GLN  61          HB3       GLN  61  17.632  -3.115 -19.581
  496   1HG   GLN  61          HG2       GLN  61  18.783  -3.734 -21.401
  497   2HG   GLN  61          HG3       GLN  61  19.755  -4.685 -20.275
  498   1HE2  GLN  61          HE22      GLN  61  17.831  -4.905 -23.124
  499   2HE2  GLN  61          HE21      GLN  61  17.601  -6.666 -23.058
  500    H    LEU  62           H        LEU  62  17.036  -6.263 -17.074
  501    HA   LEU  62           HA       LEU  62  15.560  -4.669 -15.028
  502   1HB   LEU  62          HB2       LEU  62  14.302  -4.527 -17.166
  503   2HB   LEU  62          HB3       LEU  62  14.485  -6.264 -17.390
  504    HG   LEU  62           HG       LEU  62  13.063  -6.656 -15.365
  505   1HD1  LEU  62          HD11      LEU  62  11.600  -4.775 -14.637
  506   2HD1  LEU  62          HD12      LEU  62  13.291  -4.480 -14.243
  507   3HD1  LEU  62          HD13      LEU  62  12.565  -3.656 -15.632
  508   1HD2  LEU  62          HD21      LEU  62  11.944  -5.231 -17.773
  509   2HD2  LEU  62          HD22      LEU  62  12.204  -6.967 -17.552
  510   3HD2  LEU  62          HD23      LEU  62  10.969  -6.153 -16.587
  511    H    ASN  63           H        ASN  63  14.954  -5.979 -13.268
  512    HA   ASN  63           HA       ASN  63  15.650  -8.863 -13.255
  513   1HB   ASN  63          HB2       ASN  63  14.480  -7.115 -11.082
  514   2HB   ASN  63          HB3       ASN  63  14.927  -8.802 -10.935
  515   1HD2  ASN  63          HD22      ASN  63  15.785  -6.183  -9.661
  516   2HD2  ASN  63          HD21      ASN  63  17.523  -6.441  -9.530
  517    H    VAL  64           H        VAL  64  13.905 -10.402 -13.169
  518    HA   VAL  64           HA       VAL  64  11.118  -9.328 -13.201
  519    HB   VAL  64           HB       VAL  64  12.047 -11.754 -14.782
  520   1HG1  VAL  64          HG11      VAL  64   9.550 -10.028 -15.104
  521   2HG1  VAL  64          HG12      VAL  64   9.920 -11.573 -15.911
  522   3HG1  VAL  64          HG13      VAL  64   9.588 -11.531 -14.177
  523   1HG2  VAL  64          HG21      VAL  64  11.847 -10.390 -16.849
  524   2HG2  VAL  64          HG22      VAL  64  11.697  -8.923 -15.853
  525   3HG2  VAL  64          HG23      VAL  64  13.199  -9.881 -15.844
  526    H    VAL  65           H        VAL  65   9.803 -10.343 -11.697
  527    HA   VAL  65           HA       VAL  65  10.484 -13.030 -10.757
  528    HB   VAL  65           HB       VAL  65  11.697 -11.757  -9.160
  529   1HG1  VAL  65          HG11      VAL  65  10.863  -9.510  -9.454
  530   2HG1  VAL  65          HG12      VAL  65   9.284  -9.992  -8.796
  531   3HG1  VAL  65          HG13      VAL  65  10.728  -9.963  -7.755
  532   1HG2  VAL  65          HG21      VAL  65  10.695 -12.323  -7.076
  533   2HG2  VAL  65          HG22      VAL  65   9.073 -12.393  -7.794
  534   3HG2  VAL  65          HG23      VAL  65  10.306 -13.594  -8.239
  535    H    ALA  66           H        ALA  66   8.648 -14.130 -10.037
  536    HA   ALA  66           HA       ALA  66   6.062 -12.854 -10.842
  537   1HB   ALA  66          HB1       ALA  66   7.086 -14.849 -12.134
  538   2HB   ALA  66          HB2       ALA  66   6.652 -15.796 -10.709
  539   3HB   ALA  66          HB3       ALA  66   5.395 -14.935 -11.603
  540    H    VAL  67           H        VAL  67   4.176 -13.605  -9.716
  541    HA   VAL  67           HA       VAL  67   4.567 -15.125  -7.214
  542    HB   VAL  67           HB       VAL  67   2.589 -12.839  -7.450
  543   1HG1  VAL  67          HG11      VAL  67   2.177 -14.576  -5.733
  544   2HG1  VAL  67          HG12      VAL  67   3.799 -14.306  -5.060
  545   3HG1  VAL  67          HG13      VAL  67   2.575 -13.025  -4.990
  546   1HG2  VAL  67          HG21      VAL  67   4.157 -11.464  -6.059
  547   2HG2  VAL  67          HG22      VAL  67   5.423 -12.660  -6.355
  548   3HG2  VAL  67          HG23      VAL  67   4.720 -11.724  -7.701
  549    H    HIS  68           H        HIS  68   3.404 -16.984  -7.499
  550    HA   HIS  68           HA       HIS  68   1.173 -17.001  -9.469
  551   1HB   HIS  68          HB2       HIS  68   2.761 -18.886  -9.568
  552   2HB   HIS  68          HB3       HIS  68   2.395 -19.286  -7.887
  553    HD1  HIS  68           HD1      HIS  68  -0.259 -20.157  -7.470
  554    HD2  HIS  68           HD2      HIS  68   0.959 -19.444 -11.435
  555    HE1  HIS  68           HE1      HIS  68  -2.130 -21.009  -8.965
  556    H    MET  69           H        MET  69  -0.880 -16.801  -8.727
  557    HA   MET  69           HA       MET  69  -1.259 -16.510  -5.790
  558   1HB   MET  69          HB2       MET  69  -1.138 -14.468  -6.895
  559   2HB   MET  69          HB3       MET  69  -2.250 -14.959  -8.176
  560   1HG   MET  69          HG2       MET  69  -3.112 -14.798  -5.275
  561   2HG   MET  69          HG3       MET  69  -3.101 -13.379  -6.335
  562   1HE   MET  69          HE1       MET  69  -6.890 -14.510  -5.866
  563   2HE   MET  69          HE2       MET  69  -5.568 -14.851  -4.708
  564   3HE   MET  69          HE3       MET  69  -5.713 -13.232  -5.465
  565    HA   PRO  70           HA       PRO  70  -4.219 -19.982  -6.325
  566   1HB   PRO  70          HB2       PRO  70  -5.113 -18.916  -3.628
  567   2HB   PRO  70          HB3       PRO  70  -4.794 -20.588  -4.130
  568   1HG   PRO  70          HG2       PRO  70  -2.992 -19.219  -2.662
  569   2HG   PRO  70          HG3       PRO  70  -2.426 -20.218  -4.045
  570   1HD   PRO  70          HD2       PRO  70  -2.990 -17.220  -3.997
  571   2HD   PRO  70          HD3       PRO  70  -1.525 -18.103  -4.581
  572    H    ARG  71           H        ARG  71  -5.984 -19.781  -7.587
  573    HA   ARG  71           HA       ARG  71  -8.097 -17.788  -6.815
  574   1HB   ARG  71          HB2       ARG  71  -7.352 -18.945  -9.502
  575   2HB   ARG  71          HB3       ARG  71  -8.813 -17.989  -9.186
  576   1HG   ARG  71          HG2       ARG  71  -7.402 -16.126  -8.298
  577   2HG   ARG  71          HG3       ARG  71  -5.954 -17.066  -8.679
  578   1HD   ARG  71          HD2       ARG  71  -6.276 -15.452 -10.350
  579   2HD   ARG  71          HD3       ARG  71  -6.552 -17.048 -11.062
  580    HE   ARG  71           HE       ARG  71  -8.537 -14.903 -10.492
  581   1HH1  ARG  71          HH21      ARG  71  -8.028 -18.184 -11.846
  582   2HH1  ARG  71          HH22      ARG  71  -9.566 -18.203 -12.632
  583   1HH2  ARG  71          HH11      ARG  71 -10.542 -14.971 -11.579
  584   2HH2  ARG  71          HH12      ARG  71 -11.005 -16.352 -12.491
  585    H    SER  72           H        SER  72  -7.561 -21.239  -7.270
  586    HA   SER  72           HA       SER  72 -10.326 -21.869  -6.530
  587   1HB   SER  72          HB2       SER  72  -9.079 -22.935  -9.110
  588   2HB   SER  72          HB3       SER  72 -10.701 -23.267  -8.492
  589    HG   SER  72           HG       SER  72 -10.717 -21.716 -10.163
  590    H    GLU  73           H        GLU  73 -10.438 -24.346  -6.156
  591    HA   GLU  73           HA       GLU  73  -8.095 -25.400  -4.881
  592   1HB   GLU  73          HB2       GLU  73 -10.575 -26.780  -5.987
  593   2HB   GLU  73          HB3       GLU  73  -9.315 -27.587  -5.041
  594   1HG   GLU  73          HG2       GLU  73  -9.720 -26.021  -3.153
  595   2HG   GLU  73          HG3       GLU  73 -11.010 -25.244  -4.071
  596    H    ASP  74           H        ASP  74  -9.439 -25.714  -8.167
  597    HA   ASP  74           HA       ASP  74  -7.367 -27.449  -9.166
  598   1HB   ASP  74          HB2       ASP  74  -9.732 -27.306 -10.018
  599   2HB   ASP  74          HB3       ASP  74  -9.369 -25.701 -10.657
  600    H    ASP  75           H        ASP  75  -6.766 -24.631  -7.999
  601    HA   ASP  75           HA       ASP  75  -4.941 -23.684 -10.183
  602   1HB   ASP  75          HB2       ASP  75  -6.878 -22.149  -9.500
  603   2HB   ASP  75          HB3       ASP  75  -6.043 -21.987  -7.937
  604    H    LEU  76           H        LEU  76  -5.192 -25.140  -7.089
  605    HA   LEU  76           HA       LEU  76  -2.827 -23.963  -5.857
  606   1HB   LEU  76          HB2       LEU  76  -4.352 -26.510  -5.145
  607   2HB   LEU  76          HB3       LEU  76  -3.229 -25.636  -4.110
  608    HG   LEU  76           HG       LEU  76  -5.942 -24.649  -5.056
  609   1HD1  LEU  76          HD11      LEU  76  -6.069 -26.439  -3.374
  610   2HD1  LEU  76          HD12      LEU  76  -4.993 -25.522  -2.297
  611   3HD1  LEU  76          HD13      LEU  76  -6.606 -24.892  -2.701
  612   1HD2  LEU  76          HD21      LEU  76  -5.602 -22.776  -3.464
  613   2HD2  LEU  76          HD22      LEU  76  -3.927 -23.318  -3.194
  614   3HD2  LEU  76          HD23      LEU  76  -4.447 -22.750  -4.801
  615    H    ASP  77           H        ASP  77  -3.484 -26.560  -8.029
  616    HA   ASP  77           HA       ASP  77  -1.918 -28.631  -7.263
  617   1HB   ASP  77          HB2       ASP  77  -3.602 -28.580  -9.056
  618   2HB   ASP  77          HB3       ASP  77  -2.429 -27.822 -10.132
  619    HA   PRO  78           HA       PRO  78   2.156 -26.604  -7.503
  620   1HB   PRO  78          HB2       PRO  78   3.046 -29.375  -6.747
  621   2HB   PRO  78          HB3       PRO  78   3.552 -27.796  -6.071
  622   1HG   PRO  78          HG2       PRO  78   1.800 -29.380  -4.729
  623   2HG   PRO  78          HG3       PRO  78   1.537 -27.606  -4.810
  624   1HD   PRO  78          HD2       PRO  78   0.225 -29.775  -6.461
  625   2HD   PRO  78          HD3       PRO  78  -0.512 -28.352  -5.670
  626    H    GLY  79           H        GLY  79   1.206 -29.662  -9.035
  627   1HA   GLY  79          HA2       GLY  79   3.559 -29.981 -10.695
  628   2HA   GLY  79          HA3       GLY  79   2.007 -30.848 -10.797
  629    H    LYS  80           H        LYS  80   0.131 -28.705 -11.114
  630    HA   LYS  80           HA       LYS  80   0.781 -28.173 -13.881
  631   1HB   LYS  80          HB2       LYS  80  -1.605 -28.606 -12.709
  632   2HB   LYS  80          HB3       LYS  80  -1.599 -26.837 -12.707
  633   1HG   LYS  80          HG2       LYS  80  -0.763 -27.180 -15.253
  634   2HG   LYS  80          HG3       LYS  80  -1.420 -28.796 -15.019
  635   1HD   LYS  80          HD2       LYS  80  -3.325 -27.802 -15.831
  636   2HD   LYS  80          HD3       LYS  80  -3.543 -27.400 -14.123
  637   1HE   LYS  80          HE2       LYS  80  -3.893 -25.344 -15.109
  638   2HE   LYS  80          HE3       LYS  80  -2.166 -25.259 -14.684
  639   1HZ   LYS  80          HZ1       LYS  80  -1.576 -25.563 -16.913
  640   2HZ   LYS  80          HZ2       LYS  80  -3.083 -26.067 -17.385
  641   3HZ   LYS  80          HZ3       LYS  80  -2.802 -24.509 -16.985
  642    H    ILE  81           H        ILE  81   1.050 -26.229 -10.914
  643    HA   ILE  81           HA       ILE  81   1.303 -23.713 -12.301
  644    HB   ILE  81           HB       ILE  81   2.521 -24.689  -9.694
  645   1HG1  ILE  81          HG12      ILE  81   0.186 -22.768  -9.936
  646   2HG1  ILE  81          HG13      ILE  81  -0.127 -24.482 -10.043
  647   1HG2  ILE  81          HG21      ILE  81   3.772 -22.740 -10.545
  648   2HG2  ILE  81          HG22      ILE  81   2.266 -21.855 -10.805
  649   3HG2  ILE  81          HG23      ILE  81   2.799 -22.254  -9.159
  650   1HD1  ILE  81          HD11      ILE  81   1.275 -23.148  -7.710
  651   2HD1  ILE  81          HD12      ILE  81  -0.387 -23.782  -7.746
  652   3HD1  ILE  81          HD13      ILE  81   0.990 -24.892  -7.936
  653    H    LYS  82           H        LYS  82   3.713 -26.135 -11.148
  654    HA   LYS  82           HA       LYS  82   5.977 -25.019 -12.389
  655   1HB   LYS  82          HB2       LYS  82   6.196 -26.857 -10.806
  656   2HB   LYS  82          HB3       LYS  82   5.206 -27.915 -11.808
  657   1HG   LYS  82          HG2       LYS  82   7.477 -28.598 -12.077
  658   2HG   LYS  82          HG3       LYS  82   6.938 -27.878 -13.593
  659   1HD   LYS  82          HD2       LYS  82   8.079 -25.697 -12.829
  660   2HD   LYS  82          HD3       LYS  82   8.671 -26.600 -11.417
  661   1HE   LYS  82          HE2       LYS  82   9.775 -28.208 -13.062
  662   2HE   LYS  82          HE3       LYS  82   9.334 -27.074 -14.346
  663   1HZ   LYS  82          HZ1       LYS  82  11.144 -26.557 -12.063
  664   2HZ   LYS  82          HZ2       LYS  82  11.539 -26.581 -13.641
  665   3HZ   LYS  82          HZ3       LYS  82  10.623 -25.358 -13.040
  666    H    GLU  83           H        GLU  83   3.753 -27.517 -13.734
  667    HA   GLU  83           HA       GLU  83   5.219 -27.736 -16.129
  668   1HB   GLU  83          HB2       GLU  83   2.371 -28.517 -15.421
  669   2HB   GLU  83          HB3       GLU  83   3.033 -28.775 -17.036
  670   1HG   GLU  83          HG2       GLU  83   4.879 -30.114 -16.135
  671   2HG   GLU  83          HG3       GLU  83   4.305 -29.871 -14.492
  672    H    THR  84           H        THR  84   2.230 -25.733 -15.489
  673    HA   THR  84           HA       THR  84   2.164 -24.709 -18.142
  674    HB   THR  84           HB       THR  84   1.272 -23.251 -15.628
  675    HG1  THR  84           HG1      THR  84   0.363 -25.186 -15.451
  676   1HG2  THR  84          HG21      THR  84  -0.556 -22.418 -17.093
  677   2HG2  THR  84          HG22      THR  84   1.038 -21.920 -17.680
  678   3HG2  THR  84          HG23      THR  84   0.181 -23.261 -18.476
  679    H    ALA  85           H        ALA  85   4.020 -23.651 -15.268
  680    HA   ALA  85           HA       ALA  85   5.047 -21.266 -16.479
  681   1HB   ALA  85          HB1       ALA  85   5.211 -21.625 -14.060
  682   2HB   ALA  85          HB2       ALA  85   6.267 -23.035 -14.315
  683   3HB   ALA  85          HB3       ALA  85   6.828 -21.422 -14.765
  684    H    ALA  86           H        ALA  86   5.976 -24.711 -16.782
  685    HA   ALA  86           HA       ALA  86   8.468 -24.079 -18.167
  686   1HB   ALA  86          HB1       ALA  86   8.535 -26.476 -18.648
  687   2HB   ALA  86          HB2       ALA  86   8.165 -26.215 -16.932
  688   3HB   ALA  86          HB3       ALA  86   6.875 -26.683 -18.066
  689    H    GLU  87           H        GLU  87   5.074 -24.904 -19.029
  690    HA   GLU  87           HA       GLU  87   5.572 -25.149 -21.820
  691   1HB   GLU  87          HB2       GLU  87   3.058 -24.597 -20.205
  692   2HB   GLU  87          HB3       GLU  87   3.016 -24.713 -21.958
  693   1HG   GLU  87          HG2       GLU  87   4.072 -26.940 -20.163
  694   2HG   GLU  87          HG3       GLU  87   2.417 -26.832 -20.745
  695    H    HIS  88           H        HIS  88   4.798 -22.333 -19.803
  696    HA   HIS  88           HA       HIS  88   4.821 -20.567 -22.188
  697   1HB   HIS  88          HB2       HIS  88   3.892 -20.216 -19.334
  698   2HB   HIS  88          HB3       HIS  88   4.063 -18.859 -20.452
  699    HD1  HIS  88           HD1      HIS  88   2.214 -18.630 -22.371
  700    HD2  HIS  88           HD2      HIS  88   1.962 -22.094 -19.997
  701    HE1  HIS  88           HE1      HIS  88  -0.020 -19.715 -22.923
  702    H    ASP  89           H        ASP  89   7.173 -21.884 -20.363
  703    HA   ASP  89           HA       ASP  89   9.334 -21.467 -20.141
  704   1HB   ASP  89          HB2       ASP  89   8.914 -21.030 -22.589
  705   2HB   ASP  89          HB3       ASP  89   8.985 -19.304 -22.240
  706    H    ILE  90           H        ILE  90   7.875 -20.384 -18.187
  707    HA   ILE  90           HA       ILE  90   8.686 -17.629 -17.568
  708    HB   ILE  90           HB       ILE  90   6.882 -19.496 -15.973
  709   1HG1  ILE  90          HG12      ILE  90   6.026 -17.690 -18.267
  710   2HG1  ILE  90          HG13      ILE  90   5.888 -19.450 -18.170
  711   1HG2  ILE  90          HG21      ILE  90   5.998 -17.453 -14.999
  712   2HG2  ILE  90          HG22      ILE  90   7.750 -17.384 -14.908
  713   3HG2  ILE  90          HG23      ILE  90   6.902 -16.478 -16.185
  714   1HD1  ILE  90          HD11      ILE  90   4.308 -17.409 -16.593
  715   2HD1  ILE  90          HD12      ILE  90   3.726 -18.658 -17.701
  716   3HD1  ILE  90          HD13      ILE  90   4.383 -19.127 -16.131
  717    H    THR  91           H        THR  91  11.035 -18.665 -17.511
  718    HA   THR  91           HA       THR  91  11.536 -20.364 -15.191
  719    HB   THR  91           HB       THR  91  13.753 -20.643 -16.207
  720    HG1  THR  91           HG1      THR  91  14.262 -18.908 -17.293
  721   1HG2  THR  91          HG21      THR  91  13.066 -21.823 -18.210
  722   2HG2  THR  91          HG22      THR  91  11.851 -22.080 -16.945
  723   3HG2  THR  91          HG23      THR  91  11.530 -20.942 -18.275
  724    H    GLN  92           H        GLN  92  11.238 -17.069 -15.319
  725    HA   GLN  92           HA       GLN  92  13.586 -16.345 -13.794
  726   1HB   GLN  92          HB2       GLN  92  12.646 -14.225 -13.531
  727   2HB   GLN  92          HB3       GLN  92  12.156 -14.688 -15.130
  728   1HG   GLN  92          HG2       GLN  92  10.348 -14.880 -12.671
  729   2HG   GLN  92          HG3       GLN  92  10.460 -13.496 -13.715
  730   1HE2  GLN  92          HE22      GLN  92   7.972 -14.149 -13.665
  731   2HE2  GLN  92          HE21      GLN  92   7.515 -15.215 -14.944
  732    HA   PRO  93           HA       PRO  93  12.375 -17.680  -9.670
  733   1HB   PRO  93          HB2       PRO  93  12.349 -14.743  -8.908
  734   2HB   PRO  93          HB3       PRO  93  13.049 -16.123  -8.005
  735   1HG   PRO  93          HG2       PRO  93  14.643 -14.503  -9.472
  736   2HG   PRO  93          HG3       PRO  93  14.876 -16.281  -9.561
  737   1HD   PRO  93          HD2       PRO  93  13.428 -14.457 -11.483
  738   2HD   PRO  93          HD3       PRO  93  14.553 -15.804 -11.843
  739    H    ILE  94           H        ILE  94  10.413 -18.207  -8.728
  740    HA   ILE  94           HA       ILE  94   8.120 -16.348  -9.064
  741    HB   ILE  94           HB       ILE  94   8.112 -19.367  -9.504
  742   1HG1  ILE  94          HG12      ILE  94   8.232 -17.106 -11.462
  743   2HG1  ILE  94          HG13      ILE  94   8.880 -18.724 -11.522
  744   1HG2  ILE  94          HG21      ILE  94   6.125 -18.748  -8.320
  745   2HG2  ILE  94          HG22      ILE  94   5.778 -17.419  -9.439
  746   3HG2  ILE  94          HG23      ILE  94   5.679 -19.119  -9.949
  747   1HD1  ILE  94          HD11      ILE  94   6.552 -19.581 -11.956
  748   2HD1  ILE  94          HD12      ILE  94   6.034 -17.865 -12.057
  749   3HD1  ILE  94          HD13      ILE  94   7.218 -18.521 -13.197
  750    H    PHE  95           H        PHE  95   7.241 -15.881  -7.175
  751    HA   PHE  95           HA       PHE  95   7.698 -17.516  -4.739
  752   1HB   PHE  95          HB2       PHE  95   6.073 -15.032  -5.440
  753   2HB   PHE  95          HB3       PHE  95   6.053 -15.778  -3.846
  754    HD1  PHE  95           HD1      PHE  95   7.564 -13.238  -5.811
  755    HD2  PHE  95           HD2      PHE  95   8.441 -16.083  -2.685
  756    HE1  PHE  95           HE1      PHE  95   9.463 -11.835  -5.065
  757    HE2  PHE  95           HE2      PHE  95  10.369 -14.690  -1.973
  758    HZ   PHE  95           HZ       PHE  95  10.877 -12.566  -3.155
  759    H    VAL  96           H        VAL  96   6.013 -19.023  -4.053
  760    HA   VAL  96           HA       VAL  96   3.464 -18.826  -5.594
  761    HB   VAL  96           HB       VAL  96   4.524 -21.373  -4.362
  762   1HG1  VAL  96          HG11      VAL  96   2.188 -20.655  -6.210
  763   2HG1  VAL  96          HG12      VAL  96   2.672 -22.305  -5.846
  764   3HG1  VAL  96          HG13      VAL  96   2.075 -21.237  -4.554
  765   1HG2  VAL  96          HG21      VAL  96   4.607 -20.491  -7.282
  766   2HG2  VAL  96          HG22      VAL  96   6.006 -20.821  -6.232
  767   3HG2  VAL  96          HG23      VAL  96   4.927 -22.137  -6.690
  768    H    ASP  97           H        ASP  97   1.860 -18.200  -4.475
  769    HA   ASP  97           HA       ASP  97   2.179 -17.650  -1.591
  770   1HB   ASP  97          HB2       ASP  97   1.423 -15.760  -2.746
  771   2HB   ASP  97          HB3       ASP  97   0.367 -16.700  -3.802
  772    H    SER  98           H        SER  98   0.803 -18.601  -0.028
  773    HA   SER  98           HA       SER  98  -0.279 -21.215  -0.766
  774   1HB   SER  98          HB2       SER  98  -0.669 -21.197   1.793
  775   2HB   SER  98          HB3       SER  98   0.998 -21.230   1.193
  776    HG   SER  98           HG       SER  98   0.584 -19.666   2.890
  777    H    ASP  99           H        ASP  99  -1.454 -18.015   0.294
  778    HA   ASP  99           HA       ASP  99  -4.018 -18.232  -0.796
  779   1HB   ASP  99          HB2       ASP  99  -4.708 -19.870   0.761
  780   2HB   ASP  99          HB3       ASP  99  -3.965 -19.015   2.126
  781    H    HIS 100           H        HIS 100  -3.187 -16.271  -1.397
  782    HA   HIS 100           HA       HIS 100  -3.233 -14.182  -1.640
  783   1HB   HIS 100          HB2       HIS 100  -5.033 -12.861  -0.799
  784   2HB   HIS 100          HB3       HIS 100  -5.604 -14.476  -1.161
  785    HD1  HIS 100           HD1      HIS 100  -6.661 -15.828   0.905
  786    HD2  HIS 100           HD2      HIS 100  -4.651 -12.278   1.911
  787    HE1  HIS 100           HE1      HIS 100  -7.300 -15.307   3.311
  788    H    ALA 101           H        ALA 101  -1.277 -15.156   0.592
  789    HA   ALA 101           HA       ALA 101  -1.324 -13.210   2.645
  790   1HB   ALA 101          HB1       ALA 101  -0.131 -15.382   2.789
  791   2HB   ALA 101          HB2       ALA 101   1.065 -14.814   1.604
  792   3HB   ALA 101          HB3       ALA 101   0.934 -14.025   3.192
  793    H    LEU 102           H        LEU 102   0.952 -13.239  -0.183
  794    HA   LEU 102           HA       LEU 102   1.947 -10.598   0.433
  795   1HB   LEU 102          HB2       LEU 102   3.016 -12.457  -1.011
  796   2HB   LEU 102          HB3       LEU 102   2.002 -11.887  -2.305
  797    HG   LEU 102           HG       LEU 102   4.368 -10.466  -0.951
  798   1HD1  LEU 102          HD11      LEU 102   3.773 -11.244  -3.827
  799   2HD1  LEU 102          HD12      LEU 102   5.258 -10.482  -3.249
  800   3HD1  LEU 102          HD13      LEU 102   4.841 -12.121  -2.712
  801   1HD2  LEU 102          HD21      LEU 102   2.907  -8.602  -1.267
  802   2HD2  LEU 102          HD22      LEU 102   4.033  -8.603  -2.619
  803   3HD2  LEU 102          HD23      LEU 102   2.386  -9.188  -2.863
  804    H    THR 103           H        THR 103  -0.972 -11.809  -1.227
  805    HA   THR 103           HA       THR 103  -1.518  -9.488  -2.793
  806    HB   THR 103           HB       THR 103  -3.650 -11.260  -1.586
  807    HG1  THR 103           HG1      THR 103  -3.179 -12.763  -3.293
  808   1HG2  THR 103          HG21      THR 103  -4.688 -10.989  -3.745
  809   2HG2  THR 103          HG22      THR 103  -4.183  -9.410  -3.112
  810   3HG2  THR 103          HG23      THR 103  -3.227 -10.199  -4.392
  811    H    ASP 104           H        ASP 104  -2.207 -10.467   0.589
  812    HA   ASP 104           HA       ASP 104  -3.871  -8.116   1.137
  813   1HB   ASP 104          HB2       ASP 104  -4.334 -10.169   2.301
  814   2HB   ASP 104          HB3       ASP 104  -2.659 -10.358   2.819
  815    H    ALA 105           H        ALA 105  -0.487  -8.932   1.126
  816    HA   ALA 105           HA       ALA 105   0.307  -7.099   3.221
  817   1HB   ALA 105          HB1       ALA 105   2.041  -8.341   1.040
  818   2HB   ALA 105          HB2       ALA 105   2.585  -7.669   2.585
  819   3HB   ALA 105          HB3       ALA 105   1.627  -9.164   2.572
  820    H    PHE 106           H        PHE 106  -0.071  -6.931  -0.291
  821    HA   PHE 106           HA       PHE 106   0.366  -4.031  -0.010
  822   1HB   PHE 106          HB2       PHE 106   1.516  -3.872  -2.012
  823   2HB   PHE 106          HB3       PHE 106   2.340  -5.005  -0.968
  824    HD1  PHE 106           HD1      PHE 106   3.432  -4.745  -3.350
  825    HD2  PHE 106           HD2      PHE 106  -0.205  -6.941  -2.575
  826    HE1  PHE 106           HE1      PHE 106   3.755  -5.976  -5.437
  827    HE2  PHE 106           HE2      PHE 106   0.098  -8.161  -4.710
  828    HZ   PHE 106           HZ       PHE 106   2.073  -7.670  -6.155
  829    H    GLU 107           H        GLU 107  -2.015  -5.738  -0.027
  830    HA   GLU 107           HA       GLU 107  -4.101  -5.891  -0.897
  831   1HB   GLU 107          HB2       GLU 107  -3.562  -2.928  -0.730
  832   2HB   GLU 107          HB3       GLU 107  -5.189  -3.632  -0.927
  833   1HG   GLU 107          HG2       GLU 107  -4.855  -4.919   1.183
  834   2HG   GLU 107          HG3       GLU 107  -3.288  -4.136   1.405
  835    H    ASN 108           H        ASN 108  -2.594  -6.650  -2.983
  836    HA   ASN 108           HA       ASN 108  -3.318  -5.273  -5.438
  837   1HB   ASN 108          HB2       ASN 108  -1.433  -6.736  -5.463
  838   2HB   ASN 108          HB3       ASN 108  -2.375  -8.085  -4.814
  839   1HD2  ASN 108          HD22      ASN 108  -1.609  -9.315  -6.744
  840   2HD2  ASN 108          HD21      ASN 108  -2.478  -9.086  -8.241
  841    H    GLU 109           H        GLU 109  -5.559  -4.865  -5.365
  842    HA   GLU 109           HA       GLU 109  -7.473  -6.937  -4.718
  843   1HB   GLU 109          HB2       GLU 109  -7.771  -4.141  -5.912
  844   2HB   GLU 109          HB3       GLU 109  -9.127  -5.174  -5.442
  845   1HG   GLU 109          HG2       GLU 109  -8.253  -5.257  -3.106
  846   2HG   GLU 109          HG3       GLU 109  -6.993  -4.109  -3.543
  847    H    TYR 110           H        TYR 110  -5.545  -7.321  -7.130
  848    HA   TYR 110           HA       TYR 110  -7.584  -8.173  -9.122
  849   1HB   TYR 110          HB2       TYR 110  -5.010  -6.701  -9.787
  850   2HB   TYR 110          HB3       TYR 110  -6.213  -7.271 -10.929
  851    HD1  TYR 110           HD1      TYR 110  -8.388  -6.094 -11.182
  852    HD2  TYR 110           HD2      TYR 110  -5.316  -4.644  -8.523
  853    HE1  TYR 110           HE1      TYR 110  -9.529  -3.895 -11.069
  854    HE2  TYR 110           HE2      TYR 110  -6.447  -2.444  -8.397
  855    HH   TYR 110           HH       TYR 110  -8.262  -1.161  -9.103
  856    H    VAL 111           H        VAL 111  -5.927  -9.416 -10.934
  857    HA   VAL 111           HA       VAL 111  -3.885 -10.832  -9.349
  858    HB   VAL 111           HB       VAL 111  -5.652 -12.437 -11.199
  859   1HG1  VAL 111          HG11      VAL 111  -3.367 -13.050  -9.266
  860   2HG1  VAL 111          HG12      VAL 111  -4.349 -14.275 -10.095
  861   3HG1  VAL 111          HG13      VAL 111  -3.306 -13.184 -11.022
  862   1HG2  VAL 111          HG21      VAL 111  -5.651 -12.261  -8.163
  863   2HG2  VAL 111          HG22      VAL 111  -6.993 -11.834  -9.247
  864   3HG2  VAL 111          HG23      VAL 111  -6.474 -13.515  -9.111
  865    HA   PRO 112           HA       PRO 112  -2.075 -10.644 -13.672
  866   1HB   PRO 112          HB2       PRO 112  -3.382  -9.411 -15.746
  867   2HB   PRO 112          HB3       PRO 112  -3.455 -11.168 -15.406
  868   1HG   PRO 112          HG2       PRO 112  -5.450  -9.032 -14.554
  869   2HG   PRO 112          HG3       PRO 112  -5.789 -10.603 -15.349
  870   1HD   PRO 112          HD2       PRO 112  -6.020 -10.357 -12.669
  871   2HD   PRO 112          HD3       PRO 112  -5.290 -11.821 -13.398
  872    H    ALA 113           H        ALA 113  -1.190  -9.339 -12.053
  873    HA   ALA 113           HA       ALA 113  -1.544  -6.365 -12.371
  874   1HB   ALA 113          HB1       ALA 113  -2.889  -7.290 -10.467
  875   2HB   ALA 113          HB2       ALA 113  -1.398  -7.970  -9.788
  876   3HB   ALA 113          HB3       ALA 113  -1.587  -6.209  -9.920
  877    H    TYR 114           H        TYR 114   0.285  -5.068 -11.751
  878    HA   TYR 114           HA       TYR 114   2.823  -6.539 -11.399
  879   1HB   TYR 114          HB2       TYR 114   3.270  -4.855 -13.604
  880   2HB   TYR 114          HB3       TYR 114   3.217  -6.605 -13.583
  881    HD1  TYR 114           HD1      TYR 114   1.386  -7.850 -14.545
  882    HD2  TYR 114           HD2      TYR 114   1.168  -3.562 -14.216
  883    HE1  TYR 114           HE1      TYR 114  -0.692  -7.868 -15.875
  884    HE2  TYR 114           HE2      TYR 114  -0.907  -3.564 -15.607
  885    HH   TYR 114           HH       TYR 114  -2.404  -6.593 -16.785
  886    H    TYR 115           H        TYR 115   4.481  -5.343 -10.669
  887    HA   TYR 115           HA       TYR 115   4.019  -2.500  -9.901
  888   1HB   TYR 115          HB2       TYR 115   4.989  -4.818  -8.170
  889   2HB   TYR 115          HB3       TYR 115   5.046  -3.123  -7.711
  890    HD1  TYR 115           HD1      TYR 115   2.634  -5.867  -8.646
  891    HD2  TYR 115           HD2      TYR 115   3.290  -2.216  -6.437
  892    HE1  TYR 115           HE1      TYR 115   0.409  -6.103  -7.603
  893    HE2  TYR 115           HE2      TYR 115   1.042  -2.439  -5.413
  894    HH   TYR 115           HH       TYR 115  -0.904  -3.655  -5.307
  895    H    VAL 116           H        VAL 116   5.838  -1.267 -10.212
  896    HA   VAL 116           HA       VAL 116   8.235  -2.641 -11.330
  897    HB   VAL 116           HB       VAL 116   7.111   0.075 -12.130
  898   1HG1  VAL 116          HG11      VAL 116   9.517  -0.390 -12.635
  899   2HG1  VAL 116          HG12      VAL 116   9.026  -1.814 -13.572
  900   3HG1  VAL 116          HG13      VAL 116   8.534  -0.181 -14.088
  901   1HG2  VAL 116          HG21      VAL 116   5.364  -1.501 -12.779
  902   2HG2  VAL 116          HG22      VAL 116   6.240  -0.984 -14.213
  903   3HG2  VAL 116          HG23      VAL 116   6.567  -2.586 -13.511
  904    H    PHE 117           H        PHE 117  10.140  -2.079 -10.323
  905    HA   PHE 117           HA       PHE 117  10.084   0.148  -8.340
  906   1HB   PHE 117          HB2       PHE 117  11.373  -2.579  -7.996
  907   2HB   PHE 117          HB3       PHE 117  11.367  -1.276  -6.830
  908    HD1  PHE 117           HD1      PHE 117   9.595  -1.147  -5.171
  909    HD2  PHE 117           HD2      PHE 117   9.140  -3.705  -8.617
  910    HE1  PHE 117           HE1      PHE 117   7.583  -2.151  -4.165
  911    HE2  PHE 117           HE2      PHE 117   7.145  -4.710  -7.592
  912    HZ   PHE 117           HZ       PHE 117   6.342  -3.943  -5.364
  913    H    ASP 118           H        ASP 118  11.969   1.243  -8.086
  914    HA   ASP 118           HA       ASP 118  13.783   1.582 -10.230
  915   1HB   ASP 118          HB2       ASP 118  13.138   3.178  -8.321
  916   2HB   ASP 118          HB3       ASP 118  14.262   2.258  -7.312
  917    H    LYS 119           H        LYS 119  16.296   1.491  -9.805
  918    HA   LYS 119           HA       LYS 119  17.024  -1.320  -9.393
  919   1HB   LYS 119          HB2       LYS 119  19.342  -0.512  -9.789
  920   2HB   LYS 119          HB3       LYS 119  18.259  -0.212 -11.137
  921   1HG   LYS 119          HG2       LYS 119  18.329   2.070 -10.905
  922   2HG   LYS 119          HG3       LYS 119  18.552   2.033  -9.164
  923   1HD   LYS 119          HD2       LYS 119  20.801   1.190 -11.037
  924   2HD   LYS 119          HD3       LYS 119  20.497   2.871 -10.545
  925   1HE   LYS 119          HE2       LYS 119  20.543   2.143  -8.130
  926   2HE   LYS 119          HE3       LYS 119  21.035   0.530  -8.655
  927   1HZ   LYS 119          HZ1       LYS 119  22.931   1.848  -8.025
  928   2HZ   LYS 119          HZ2       LYS 119  23.040   1.543  -9.624
  929   3HZ   LYS 119          HZ3       LYS 119  22.572   3.028  -9.094
  930    H    THR 120           H        THR 120  16.806   1.512  -7.399
  931    HA   THR 120           HA       THR 120  18.504   0.266  -5.339
  932    HB   THR 120           HB       THR 120  18.555   2.699  -6.092
  933    HG1  THR 120           HG1      THR 120  19.247   3.274  -4.103
  934   1HG2  THR 120          HG21      THR 120  17.049   4.236  -5.102
  935   2HG2  THR 120          HG22      THR 120  16.035   2.966  -5.819
  936   3HG2  THR 120          HG23      THR 120  16.339   2.975  -4.065
  937    H    GLY 121           H        GLY 121  15.505  -0.425  -6.426
  938   1HA   GLY 121          HA2       GLY 121  13.830  -1.657  -5.562
  939   2HA   GLY 121          HA3       GLY 121  14.753  -1.823  -4.060
  940    H    GLN 122           H        GLN 122  13.084   0.846  -5.829
  941    HA   GLN 122           HA       GLN 122  11.405   1.325  -3.408
  942   1HB   GLN 122          HB2       GLN 122  12.605   3.467  -5.223
  943   2HB   GLN 122          HB3       GLN 122  11.486   3.751  -3.893
  944   1HG   GLN 122          HG2       GLN 122  14.252   2.532  -3.502
  945   2HG   GLN 122          HG3       GLN 122  13.964   4.265  -3.505
  946   1HE2  GLN 122          HE22      GLN 122  13.054   1.221  -1.797
  947   2HE2  GLN 122          HE21      GLN 122  12.706   2.017  -0.272
  948    H    LEU 123           H        LEU 123   9.286   1.453  -3.942
  949    HA   LEU 123           HA       LEU 123   8.442   0.512  -6.472
  950   1HB   LEU 123          HB2       LEU 123   7.187   0.188  -4.390
  951   2HB   LEU 123          HB3       LEU 123   6.875   1.914  -4.266
  952    HG   LEU 123           HG       LEU 123   5.436   1.902  -6.184
  953   1HD1  LEU 123          HD11      LEU 123   6.441  -0.937  -6.641
  954   2HD1  LEU 123          HD12      LEU 123   4.897  -0.367  -7.329
  955   3HD1  LEU 123          HD13      LEU 123   6.397   0.419  -7.769
  956   1HD2  LEU 123          HD21      LEU 123   3.653   0.460  -5.430
  957   2HD2  LEU 123          HD22      LEU 123   4.807  -0.596  -4.583
  958   3HD2  LEU 123          HD23      LEU 123   4.525   1.069  -4.011
  959    H    ARG 124           H        ARG 124   8.410   1.519  -8.392
  960    HA   ARG 124           HA       ARG 124   8.400   4.480  -8.525
  961   1HB   ARG 124          HB2       ARG 124   8.733   2.264 -10.605
  962   2HB   ARG 124          HB3       ARG 124   8.641   3.966 -11.026
  963   1HG   ARG 124          HG2       ARG 124  10.763   2.754  -9.212
  964   2HG   ARG 124          HG3       ARG 124  10.929   3.023 -10.945
  965   1HD   ARG 124          HD2       ARG 124  10.215   5.535 -10.210
  966   2HD   ARG 124          HD3       ARG 124  10.933   5.003  -8.693
  967    HE   ARG 124           HE       ARG 124  13.054   4.742  -9.757
  968   1HH1  ARG 124          HH11      ARG 124  10.655   6.062 -12.057
  969   2HH1  ARG 124          HH12      ARG 124  11.876   6.463 -13.234
  970   1HH2  ARG 124          HH21      ARG 124  14.532   5.177 -11.265
  971   2HH2  ARG 124          HH22      ARG 124  14.123   5.958 -12.791
  972    H    HIS 125           H        HIS 125   6.428   1.663  -9.717
  973    HA   HIS 125           HA       HIS 125   4.003   3.318  -9.883
  974   1HB   HIS 125          HB2       HIS 125   5.392   3.867 -11.918
  975   2HB   HIS 125          HB3       HIS 125   5.462   2.155 -12.310
  976    HD1  HIS 125           HD1      HIS 125   2.781   4.973 -12.044
  977    HD2  HIS 125           HD2      HIS 125   3.651   1.309 -13.918
  978    HE1  HIS 125           HE1      HIS 125   0.998   4.648 -13.827
  979    H    PHE 126           H        PHE 126   2.116   1.871 -10.478
  980    HA   PHE 126           HA       PHE 126   2.664  -0.922 -10.939
  981   1HB   PHE 126          HB2       PHE 126   2.048  -1.866  -9.038
  982   2HB   PHE 126          HB3       PHE 126   2.374  -0.339  -8.253
  983    HD1  PHE 126           HD1      PHE 126   0.401   1.182  -7.680
  984    HD2  PHE 126           HD2      PHE 126  -0.136  -2.794  -9.272
  985    HE1  PHE 126           HE1      PHE 126  -1.981   1.208  -6.967
  986    HE2  PHE 126           HE2      PHE 126  -2.515  -2.755  -8.584
  987    HZ   PHE 126           HZ       PHE 126  -3.443  -0.754  -7.422
  988    H    GLN 127           H        GLN 127   0.713  -2.053 -11.650
  989    HA   GLN 127           HA       GLN 127  -1.746  -0.543 -12.133
  990   1HB   GLN 127          HB2       GLN 127  -0.069  -1.703 -14.389
  991   2HB   GLN 127          HB3       GLN 127  -1.720  -1.132 -14.578
  992   1HG   GLN 127          HG2       GLN 127   0.599   0.675 -13.789
  993   2HG   GLN 127          HG3       GLN 127   0.106   0.388 -15.437
  994   1HE2  GLN 127          HE22      GLN 127  -1.062   1.761 -12.334
  995   2HE2  GLN 127          HE21      GLN 127  -2.279   2.799 -13.066
  996    H    ALA 128           H        ALA 128  -3.280  -2.128 -13.398
  997    HA   ALA 128           HA       ALA 128  -2.574  -4.916 -13.427
  998   1HB   ALA 128          HB1       ALA 128  -4.411  -5.640 -11.951
  999   2HB   ALA 128          HB2       ALA 128  -3.278  -4.613 -11.037
 1000   3HB   ALA 128          HB3       ALA 128  -4.818  -3.938 -11.604
 1001    H    GLY 129           H        GLY 129  -4.166  -6.144 -14.586
 1002   1HA   GLY 129          HA2       GLY 129  -5.738  -6.537 -16.173
 1003   2HA   GLY 129          HA3       GLY 129  -6.712  -5.309 -15.355
 1004    H    GLY 130           H        GLY 130  -3.620  -4.512 -16.963
 1005   1HA   GLY 130          HA2       GLY 130  -4.896  -2.641 -18.815
 1006   2HA   GLY 130          HA3       GLY 130  -3.182  -3.086 -18.745
 1007    H    SER 131           H        SER 131  -4.749  -2.901 -21.175
 1008    HA   SER 131           HA       SER 131  -5.893  -5.207 -22.139
 1009   1HB   SER 131          HB2       SER 131  -4.262  -3.209 -23.750
 1010   2HB   SER 131          HB3       SER 131  -5.616  -4.205 -24.316
 1011    HG   SER 131           HG       SER 131  -6.256  -2.057 -23.818
 1012    H    GLY 132           H        GLY 132  -4.934  -7.170 -21.839
 1013   1HA   GLY 132          HA2       GLY 132  -3.446  -8.887 -21.865
 1014   2HA   GLY 132          HA3       GLY 132  -2.861  -8.244 -23.408
 1015    H    MET 133           H        MET 133  -2.666  -6.366 -20.432
 1016    HA   MET 133           HA       MET 133  -1.005  -5.132 -19.665
 1017   1HB   MET 133          HB2       MET 133   0.581  -6.143 -18.370
 1018   2HB   MET 133          HB3       MET 133  -0.820  -7.210 -18.361
 1019   1HG   MET 133          HG2       MET 133   0.294  -8.832 -19.733
 1020   2HG   MET 133          HG3       MET 133   1.600  -7.698 -20.105
 1021   1HE   MET 133          HE1       MET 133   4.180  -9.084 -17.954
 1022   2HE   MET 133          HE2       MET 133   3.316  -9.863 -19.292
 1023   3HE   MET 133          HE3       MET 133   3.674  -8.118 -19.364
 1024    H    LYS 134           H        LYS 134  -0.957  -5.304 -22.665
 1025    HA   LYS 134           HA       LYS 134   1.728  -5.353 -23.600
 1026   1HB   LYS 134          HB2       LYS 134  -0.368  -5.379 -24.982
 1027   2HB   LYS 134          HB3       LYS 134  -0.614  -3.678 -24.607
 1028   1HG   LYS 134          HG2       LYS 134   0.309  -3.937 -26.814
 1029   2HG   LYS 134          HG3       LYS 134   1.477  -3.093 -25.810
 1030   1HD   LYS 134          HD2       LYS 134   1.757  -6.090 -25.984
 1031   2HD   LYS 134          HD3       LYS 134   2.060  -5.183 -27.467
 1032   1HE   LYS 134          HE2       LYS 134   3.781  -3.840 -26.429
 1033   2HE   LYS 134          HE3       LYS 134   3.442  -4.524 -24.834
 1034   1HZ   LYS 134          HZ1       LYS 134   4.419  -6.136 -27.113
 1035   2HZ   LYS 134          HZ2       LYS 134   5.377  -5.524 -25.928
 1036   3HZ   LYS 134          HZ3       LYS 134   4.231  -6.620 -25.541
 1037    H    MET 135           H        MET 135  -0.188  -2.615 -22.322
 1038    HA   MET 135           HA       MET 135   1.819  -0.619 -22.533
 1039   1HB   MET 135          HB2       MET 135   0.456   0.560 -20.770
 1040   2HB   MET 135          HB3       MET 135  -0.438   0.020 -22.176
 1041   1HG   MET 135          HG2       MET 135  -1.926  -0.883 -20.846
 1042   2HG   MET 135          HG3       MET 135  -0.778  -2.123 -20.393
 1043   1HE   MET 135          HE1       MET 135   0.305  -2.415 -18.208
 1044   2HE   MET 135          HE2       MET 135   1.226  -0.883 -18.154
 1045   3HE   MET 135          HE3       MET 135   0.180  -1.350 -16.804
 1046    H    LEU 136           H        LEU 136   1.912  -3.358 -20.404
 1047    HA   LEU 136           HA       LEU 136   3.259  -2.040 -18.217
 1048   1HB   LEU 136          HB2       LEU 136   2.189  -4.273 -17.986
 1049   2HB   LEU 136          HB3       LEU 136   3.352  -4.944 -19.140
 1050    HG   LEU 136           HG       LEU 136   5.219  -4.448 -17.614
 1051   1HD1  LEU 136          HD11      LEU 136   3.046  -3.443 -15.721
 1052   2HD1  LEU 136          HD12      LEU 136   4.720  -3.803 -15.241
 1053   3HD1  LEU 136          HD13      LEU 136   4.394  -2.498 -16.376
 1054   1HD2  LEU 136          HD21      LEU 136   4.630  -6.159 -15.939
 1055   2HD2  LEU 136          HD22      LEU 136   2.923  -6.020 -16.423
 1056   3HD2  LEU 136          HD23      LEU 136   4.124  -6.592 -17.572
 1057    H    GLU 137           H        GLU 137   4.227  -3.509 -21.310
 1058    HA   GLU 137           HA       GLU 137   7.015  -3.543 -21.040
 1059   1HB   GLU 137          HB2       GLU 137   5.594  -4.297 -23.042
 1060   2HB   GLU 137          HB3       GLU 137   5.466  -2.579 -23.499
 1061   1HG   GLU 137          HG2       GLU 137   7.944  -2.448 -23.647
 1062   2HG   GLU 137          HG3       GLU 137   8.062  -4.156 -23.212
 1063    H    LYS 138           H        LYS 138   4.796  -0.778 -21.716
 1064    HA   LYS 138           HA       LYS 138   7.023   1.026 -22.226
 1065   1HB   LYS 138          HB2       LYS 138   4.038   1.401 -21.838
 1066   2HB   LYS 138          HB3       LYS 138   5.147   2.788 -21.907
 1067   1HG   LYS 138          HG2       LYS 138   6.010   2.138 -24.049
 1068   2HG   LYS 138          HG3       LYS 138   5.161   0.571 -24.002
 1069   1HD   LYS 138          HD2       LYS 138   3.995   2.035 -25.510
 1070   2HD   LYS 138          HD3       LYS 138   2.981   1.747 -24.086
 1071   1HE   LYS 138          HE2       LYS 138   3.646   3.957 -23.162
 1072   2HE   LYS 138          HE3       LYS 138   4.717   4.223 -24.543
 1073   1HZ   LYS 138          HZ1       LYS 138   2.764   4.209 -25.980
 1074   2HZ   LYS 138          HZ2       LYS 138   1.769   3.963 -24.707
 1075   3HZ   LYS 138          HZ3       LYS 138   2.610   5.353 -24.833
 1076    H    ARG 139           H        ARG 139   4.958   0.406 -19.316
 1077    HA   ARG 139           HA       ARG 139   6.172   2.607 -17.903
 1078   1HB   ARG 139          HB2       ARG 139   5.076   0.109 -16.539
 1079   2HB   ARG 139          HB3       ARG 139   5.157   1.747 -15.900
 1080   1HG   ARG 139          HG2       ARG 139   3.313   0.711 -18.083
 1081   2HG   ARG 139          HG3       ARG 139   2.860   1.096 -16.435
 1082   1HD   ARG 139          HD2       ARG 139   3.135   3.465 -16.798
 1083   2HD   ARG 139          HD3       ARG 139   4.028   3.205 -18.297
 1084    HE   ARG 139           HE       ARG 139   2.133   2.975 -19.486
 1085   1HH1  ARG 139          HH11      ARG 139   1.210   2.812 -16.048
 1086   2HH1  ARG 139          HH12      ARG 139  -0.492   2.733 -16.388
 1087   1HH2  ARG 139          HH21      ARG 139  -0.130   3.048 -19.893
 1088   2HH2  ARG 139          HH22      ARG 139  -1.253   2.939 -18.594
 1089    H    VAL 140           H        VAL 140   6.967  -0.861 -18.103
 1090    HA   VAL 140           HA       VAL 140   9.087  -0.837 -16.159
 1091    HB   VAL 140           HB       VAL 140   8.518  -2.562 -18.614
 1092   1HG1  VAL 140          HG11      VAL 140  10.856  -2.864 -17.986
 1093   2HG1  VAL 140          HG12      VAL 140  10.388  -3.133 -16.289
 1094   3HG1  VAL 140          HG13      VAL 140   9.897  -4.285 -17.556
 1095   1HG2  VAL 140          HG21      VAL 140   6.763  -2.615 -16.704
 1096   2HG2  VAL 140          HG22      VAL 140   7.533  -4.170 -17.032
 1097   3HG2  VAL 140          HG23      VAL 140   8.039  -3.191 -15.635
 1098    H    ASN 141           H        ASN 141   8.900  -0.417 -19.775
 1099    HA   ASN 141           HA       ASN 141  11.694  -0.254 -19.910
 1100   1HB   ASN 141          HB2       ASN 141   9.567   0.550 -21.900
 1101   2HB   ASN 141          HB3       ASN 141  11.192   1.189 -22.100
 1102   1HD2  ASN 141          HD22      ASN 141   9.403  -1.872 -21.892
 1103   2HD2  ASN 141          HD21      ASN 141  10.597  -2.808 -22.793
 1104    H    ARG 142           H        ARG 142   9.278   2.271 -19.233
 1105    HA   ARG 142           HA       ARG 142  11.080   4.435 -19.696
 1106   1HB   ARG 142          HB2       ARG 142   8.647   4.226 -17.899
 1107   2HB   ARG 142          HB3       ARG 142   9.529   5.713 -18.179
 1108   1HG   ARG 142          HG2       ARG 142   7.367   4.695 -19.628
 1109   2HG   ARG 142          HG3       ARG 142   8.291   6.161 -19.924
 1110   1HD   ARG 142          HD2       ARG 142   8.924   3.495 -21.218
 1111   2HD   ARG 142          HD3       ARG 142   7.862   4.690 -21.917
 1112    HE   ARG 142           HE       ARG 142  10.116   6.157 -21.406
 1113   1HH1  ARG 142          HH11      ARG 142   9.488   3.207 -23.268
 1114   2HH1  ARG 142          HH12      ARG 142  10.861   3.387 -24.296
 1115   1HH2  ARG 142          HH21      ARG 142  11.946   6.410 -22.780
 1116   2HH2  ARG 142          HH22      ARG 142  12.277   5.262 -24.019
 1117    H    VAL 143           H        VAL 143  10.379   2.556 -16.716
 1118    HA   VAL 143           HA       VAL 143  12.236   3.995 -15.095
 1119    HB   VAL 143           HB       VAL 143  11.291   1.106 -14.973
 1120   1HG1  VAL 143          HG11      VAL 143  11.891   1.173 -12.568
 1121   2HG1  VAL 143          HG12      VAL 143  13.305   1.375 -13.607
 1122   3HG1  VAL 143          HG13      VAL 143  12.607   2.790 -12.799
 1123   1HG2  VAL 143          HG21      VAL 143   9.404   2.665 -14.805
 1124   2HG2  VAL 143          HG22      VAL 143   9.715   1.963 -13.224
 1125   3HG2  VAL 143          HG23      VAL 143  10.259   3.617 -13.575
 1126    H    LEU 144           H        LEU 144  12.752   1.270 -17.491
 1127    HA   LEU 144           HA       LEU 144  15.422   0.778 -16.410
 1128   1HB   LEU 144          HB2       LEU 144  15.105  -1.134 -17.399
 1129   2HB   LEU 144          HB3       LEU 144  13.475  -0.567 -17.683
 1130    HG   LEU 144           HG       LEU 144  14.136   0.199 -19.963
 1131   1HD1  LEU 144          HD11      LEU 144  16.720  -1.065 -19.037
 1132   2HD1  LEU 144          HD12      LEU 144  16.247  -1.218 -20.759
 1133   3HD1  LEU 144          HD13      LEU 144  16.487   0.372 -20.034
 1134   1HD2  LEU 144          HD21      LEU 144  12.939  -1.850 -19.324
 1135   2HD2  LEU 144          HD22      LEU 144  13.911  -2.082 -20.797
 1136   3HD2  LEU 144          HD23      LEU 144  14.476  -2.734 -19.234
 1137    H    ALA 145           H        ALA 145  13.976   2.362 -19.118
 1138    HA   ALA 145           HA       ALA 145  16.301   3.176 -20.562
 1139   1HB   ALA 145          HB1       ALA 145  14.029   3.308 -21.513
 1140   2HB   ALA 145          HB2       ALA 145  13.566   4.528 -20.311
 1141   3HB   ALA 145          HB3       ALA 145  14.792   4.911 -21.541
 1142    H    GLU 146           H        GLU 146  14.545   4.686 -17.840
 1143    HA   GLU 146           HA       GLU 146  16.212   7.014 -17.592
 1144   1HB   GLU 146          HB2       GLU 146  14.261   5.475 -15.867
 1145   2HB   GLU 146          HB3       GLU 146  15.180   6.833 -15.181
 1146   1HG   GLU 146          HG2       GLU 146  14.274   8.370 -16.822
 1147   2HG   GLU 146          HG3       GLU 146  13.473   7.061 -17.689
 1148    H    THR 147           H        THR 147  16.419   3.679 -16.276
 1149    HA   THR 147           HA       THR 147  18.410   4.324 -14.347
 1150    HB   THR 147           HB       THR 147  17.479   1.668 -15.460
 1151    HG1  THR 147           HG1      THR 147  15.862   2.727 -14.358
 1152   1HG2  THR 147          HG21      THR 147  19.316   2.324 -13.133
 1153   2HG2  THR 147          HG22      THR 147  18.457   0.776 -13.280
 1154   3HG2  THR 147          HG23      THR 147  19.616   1.257 -14.524
 1155    H    GLU 148           H        GLU 148  18.521   2.686 -17.214
 1156    HA   GLU 148           HA       GLU 148  21.259   1.947 -17.383
 1157   1HB   GLU 148          HB2       GLU 148  19.190   2.333 -19.574
 1158   2HB   GLU 148          HB3       GLU 148  20.813   1.744 -19.901
 1159   1HG   GLU 148          HG2       GLU 148  18.888   0.369 -17.973
 1160   2HG   GLU 148          HG3       GLU 148  19.040  -0.031 -19.678
  Start of MODEL    7
    1   1H    MET   1           H1       MET   1  -0.706   0.491  -2.049
    2   2H    MET   1           H2       MET   1   0.045  -0.645  -1.131
    3   3H    MET   1           H3       MET   1  -0.027   0.911  -0.624
    4    HA   MET   1           HA       MET   1   2.186   0.460  -1.448
    5   1HB   MET   1          HB2       MET   1   0.673  -0.427  -3.924
    6   2HB   MET   1          HB3       MET   1   2.331   0.159  -3.996
    7   1HG   MET   1          HG2       MET   1   1.361  -2.168  -2.322
    8   2HG   MET   1          HG3       MET   1   2.289  -2.277  -3.812
    9   1HE   MET   1          HE1       MET   1   4.682  -0.040  -3.358
   10   2HE   MET   1          HE2       MET   1   5.868  -1.199  -2.711
   11   3HE   MET   1          HE3       MET   1   4.796  -1.692  -4.046
   12    H    LYS   2           H        LYS   2   2.756   2.527  -1.121
   13    HA   LYS   2           HA       LYS   2   1.524   4.739  -2.675
   14   1HB   LYS   2          HB2       LYS   2   3.876   4.634  -0.719
   15   2HB   LYS   2          HB3       LYS   2   3.263   6.096  -1.487
   16   1HG   LYS   2          HG2       LYS   2   1.051   5.756  -0.402
   17   2HG   LYS   2          HG3       LYS   2   1.689   4.320   0.425
   18   1HD   LYS   2          HD2       LYS   2   3.396   5.726   1.567
   19   2HD   LYS   2          HD3       LYS   2   2.811   7.144   0.692
   20   1HE   LYS   2          HE2       LYS   2   1.893   7.251   2.891
   21   2HE   LYS   2          HE3       LYS   2   0.576   6.893   1.772
   22   1HZ   LYS   2          HZ1       LYS   2   0.477   5.535   3.771
   23   2HZ   LYS   2          HZ2       LYS   2   0.702   4.570   2.481
   24   3HZ   LYS   2          HZ3       LYS   2   1.949   4.901   3.492
   25    H    LEU   3           H        LEU   3   2.839   5.967  -4.214
   26    HA   LEU   3           HA       LEU   3   4.892   4.438  -5.615
   27   1HB   LEU   3          HB2       LEU   3   4.282   7.424  -5.732
   28   2HB   LEU   3          HB3       LEU   3   5.374   6.538  -6.793
   29    HG   LEU   3           HG       LEU   3   2.348   6.316  -6.649
   30   1HD1  LEU   3          HD11      LEU   3   3.307   8.175  -7.966
   31   2HD1  LEU   3          HD12      LEU   3   4.241   7.011  -8.932
   32   3HD1  LEU   3          HD13      LEU   3   2.464   7.006  -8.993
   33   1HD2  LEU   3          HD21      LEU   3   2.551   4.619  -8.507
   34   2HD2  LEU   3          HD22      LEU   3   4.283   4.473  -8.116
   35   3HD2  LEU   3          HD23      LEU   3   3.037   4.041  -6.916
   36    H    ARG   4           H        ARG   4   7.128   4.864  -5.569
   37    HA   ARG   4           HA       ARG   4   8.972   4.744  -4.467
   38   1HB   ARG   4          HB2       ARG   4   8.647   7.247  -5.169
   39   2HB   ARG   4          HB3       ARG   4   8.571   7.545  -3.428
   40   1HG   ARG   4          HG2       ARG   4  10.865   7.648  -3.701
   41   2HG   ARG   4          HG3       ARG   4  10.681   5.891  -3.440
   42   1HD   ARG   4          HD2       ARG   4  10.664   5.533  -5.893
   43   2HD   ARG   4          HD3       ARG   4  10.822   7.282  -6.154
   44    HE   ARG   4           HE       ARG   4  12.961   6.553  -4.510
   45   1HH1  ARG   4          HH11      ARG   4  11.871   5.879  -7.820
   46   2HH1  ARG   4          HH12      ARG   4  13.466   5.529  -8.425
   47   1HH2  ARG   4          HH21      ARG   4  15.085   6.175  -5.347
   48   2HH2  ARG   4          HH22      ARG   4  15.306   5.786  -7.012
   49    H    GLN   5           H        GLN   5   7.341   3.335  -3.052
   50    HA   GLN   5           HA       GLN   5   8.379   3.693  -0.274
   51   1HB   GLN   5          HB2       GLN   5   6.606   2.573   0.670
   52   2HB   GLN   5          HB3       GLN   5   5.807   3.560  -0.528
   53   1HG   GLN   5          HG2       GLN   5   5.408   1.667  -1.941
   54   2HG   GLN   5          HG3       GLN   5   6.607   0.689  -1.121
   55   1HE2  GLN   5          HE21      GLN   5   6.065  -0.645   0.483
   56   2HE2  GLN   5          HE22      GLN   5   4.481  -0.699   1.225
   57    HA   PRO   6           HA       PRO   6  10.788   0.120  -1.338
   58   1HB   PRO   6          HB2       PRO   6  11.056  -1.348   0.947
   59   2HB   PRO   6          HB3       PRO   6  11.790   0.273   0.754
   60   1HG   PRO   6          HG2       PRO   6   9.195  -0.445   2.138
   61   2HG   PRO   6          HG3       PRO   6  10.502   0.634   2.720
   62   1HD   PRO   6          HD2       PRO   6   8.218   1.523   1.474
   63   2HD   PRO   6          HD3       PRO   6   9.781   2.394   1.338
   64    H    MET   7           H        MET   7  10.599  -1.935  -2.106
   65    HA   MET   7           HA       MET   7   8.152  -3.314  -2.436
   66   1HB   MET   7          HB2       MET   7  10.249  -3.510  -3.766
   67   2HB   MET   7          HB3       MET   7  10.990  -4.385  -2.438
   68   1HG   MET   7          HG2       MET   7   9.114  -6.092  -2.657
   69   2HG   MET   7          HG3       MET   7   8.673  -5.250  -4.146
   70   1HE   MET   7          HE1       MET   7  12.090  -4.587  -4.687
   71   2HE   MET   7          HE2       MET   7  12.268  -5.734  -6.029
   72   3HE   MET   7          HE3       MET   7  10.819  -4.685  -5.930
   73    HA   PRO   8           HA       PRO   8   7.860  -5.131   1.697
   74   1HB   PRO   8          HB2       PRO   8   6.026  -7.145   1.302
   75   2HB   PRO   8          HB3       PRO   8   5.603  -5.408   1.297
   76   1HG   PRO   8          HG2       PRO   8   6.189  -7.194  -1.074
   77   2HG   PRO   8          HG3       PRO   8   4.790  -6.111  -0.819
   78   1HD   PRO   8          HD2       PRO   8   6.960  -5.322  -2.282
   79   2HD   PRO   8          HD3       PRO   8   6.115  -4.164  -1.217
   80    H    GLU   9           H        GLU   9   7.860  -7.511   2.663
   81    HA   GLU   9           HA       GLU   9  10.500  -8.418   2.111
   82   1HB   GLU   9          HB2       GLU   9   8.473  -9.691   4.002
   83   2HB   GLU   9          HB3       GLU   9  10.241  -9.742   4.121
   84   1HG   GLU   9          HG2       GLU   9  10.186  -7.215   4.377
   85   2HG   GLU   9          HG3       GLU   9   8.426  -7.336   4.473
   86    H    LEU  10           H        LEU  10   7.981  -9.136   0.489
   87    HA   LEU  10           HA       LEU  10   7.147 -10.798  -0.886
   88   1HB   LEU  10          HB2       LEU  10  10.017 -11.731  -1.078
   89   2HB   LEU  10          HB3       LEU  10   8.711 -11.984  -2.240
   90    HG   LEU  10           HG       LEU  10  10.002  -9.323  -1.528
   91   1HD1  LEU  10          HD11      LEU  10  11.361 -10.879  -2.945
   92   2HD1  LEU  10          HD12      LEU  10  10.064 -10.855  -4.153
   93   3HD1  LEU  10          HD13      LEU  10  10.939  -9.359  -3.744
   94   1HD2  LEU  10          HD21      LEU  10   7.619  -8.967  -2.074
   95   2HD2  LEU  10          HD22      LEU  10   8.660  -8.368  -3.364
   96   3HD2  LEU  10          HD23      LEU  10   7.818  -9.918  -3.568
   97    H    THR  11           H        THR  11   6.253 -11.400   1.320
   98    HA   THR  11           HA       THR  11   7.086 -13.663   2.760
   99    HB   THR  11           HB       THR  11   4.487 -13.542   3.357
  100    HG1  THR  11           HG1      THR  11   3.889 -12.200   1.636
  101   1HG2  THR  11          HG21      THR  11   4.889 -11.682   4.867
  102   2HG2  THR  11          HG22      THR  11   6.289 -12.766   4.853
  103   3HG2  THR  11          HG23      THR  11   6.360 -11.219   3.972
  104    H    GLY  12           H        GLY  12   6.117 -15.747   2.965
  105   1HA   GLY  12          HA2       GLY  12   4.022 -16.887   1.617
  106   2HA   GLY  12          HA3       GLY  12   5.432 -17.164   0.578
  107    H    GLU  13           H        GLU  13   4.798 -19.502   1.267
  108    HA   GLU  13           HA       GLU  13   6.732 -20.197   3.401
  109   1HB   GLU  13          HB2       GLU  13   4.448 -20.230   4.448
  110   2HB   GLU  13          HB3       GLU  13   4.002 -21.532   3.335
  111   1HG   GLU  13          HG2       GLU  13   5.833 -22.937   4.223
  112   2HG   GLU  13          HG3       GLU  13   6.328 -21.629   5.299
  113    H    LYS  14           H        LYS  14   4.455 -21.873   1.049
  114    HA   LYS  14           HA       LYS  14   6.552 -23.739   0.289
  115   1HB   LYS  14          HB2       LYS  14   4.028 -24.051  -0.036
  116   2HB   LYS  14          HB3       LYS  14   4.121 -22.949  -1.407
  117   1HG   LYS  14          HG2       LYS  14   6.143 -25.155  -1.483
  118   2HG   LYS  14          HG3       LYS  14   4.496 -25.719  -1.378
  119   1HD   LYS  14          HD2       LYS  14   4.957 -25.721  -3.653
  120   2HD   LYS  14          HD3       LYS  14   3.894 -24.355  -3.392
  121   1HE   LYS  14          HE2       LYS  14   5.614 -23.823  -5.031
  122   2HE   LYS  14          HE3       LYS  14   5.813 -22.792  -3.615
  123   1HZ   LYS  14          HZ1       LYS  14   7.924 -23.702  -4.440
  124   2HZ   LYS  14          HZ2       LYS  14   7.653 -24.141  -2.917
  125   3HZ   LYS  14          HZ3       LYS  14   7.426 -25.239  -4.136
  126    H    ALA  15           H        ALA  15   5.332 -20.680  -0.820
  127    HA   ALA  15           HA       ALA  15   5.572 -19.731  -2.851
  128   1HB   ALA  15          HB1       ALA  15   7.145 -17.893  -2.457
  129   2HB   ALA  15          HB2       ALA  15   6.073 -18.245  -1.097
  130   3HB   ALA  15          HB3       ALA  15   7.778 -18.759  -1.031
  131    H    TRP  16           H        TRP  16   9.111 -20.168  -2.202
  132    HA   TRP  16           HA       TRP  16   9.675 -19.405  -4.763
  133   1HB   TRP  16          HB2       TRP  16  11.874 -19.924  -4.451
  134   2HB   TRP  16          HB3       TRP  16  11.268 -19.437  -2.887
  135    HD1  TRP  16           HD1      TRP  16  11.516 -21.194  -0.935
  136    HE1  TRP  16           HE1      TRP  16  12.887 -23.321  -0.689
  137    HE3  TRP  16           HE3      TRP  16  12.496 -22.066  -5.869
  138    HZ2  TRP  16           HZ2      TRP  16  14.180 -25.269  -2.445
  139    HZ3  TRP  16           HZ3      TRP  16  13.822 -24.053  -6.567
  140    HH2  TRP  16           HH2      TRP  16  14.660 -25.657  -4.862
  141    H    LEU  17           H        LEU  17   9.938 -20.166  -6.703
  142    HA   LEU  17           HA       LEU  17  10.275 -23.009  -7.312
  143   1HB   LEU  17          HB2       LEU  17   7.856 -22.783  -7.480
  144   2HB   LEU  17          HB3       LEU  17   8.005 -21.232  -8.289
  145    HG   LEU  17           HG       LEU  17   9.045 -22.375 -10.267
  146   1HD1  LEU  17          HD11      LEU  17   9.900 -24.436  -9.121
  147   2HD1  LEU  17          HD12      LEU  17   8.230 -24.937  -8.806
  148   3HD1  LEU  17          HD13      LEU  17   8.837 -24.830 -10.473
  149   1HD2  LEU  17          HD21      LEU  17   6.302 -23.407  -9.438
  150   2HD2  LEU  17          HD22      LEU  17   6.654 -21.856 -10.231
  151   3HD2  LEU  17          HD23      LEU  17   6.949 -23.369 -11.096
  152    H    ASN  18           H        ASN  18  11.476 -23.156  -9.233
  153    HA   ASN  18           HA       ASN  18  13.057 -22.703 -10.617
  154   1HB   ASN  18          HB2       ASN  18  11.973 -19.896 -10.993
  155   2HB   ASN  18          HB3       ASN  18  13.149 -20.676 -12.026
  156   1HD2  ASN  18          HD22      ASN  18  10.334 -19.578 -12.439
  157   2HD2  ASN  18          HD21      ASN  18   9.617 -20.790 -13.460
  158    H    GLY  19           H        GLY  19  12.800 -20.921  -7.959
  159   1HA   GLY  19          HA2       GLY  19  15.204 -21.124  -6.817
  160   2HA   GLY  19          HA3       GLY  19  15.517 -19.765  -7.913
  161    H    GLU  20           H        GLU  20  15.370 -19.898  -4.964
  162    HA   GLU  20           HA       GLU  20  13.158 -18.053  -4.311
  163   1HB   GLU  20          HB2       GLU  20  14.005 -18.046  -2.083
  164   2HB   GLU  20          HB3       GLU  20  13.758 -19.706  -2.596
  165   1HG   GLU  20          HG2       GLU  20  16.498 -18.394  -2.552
  166   2HG   GLU  20          HG3       GLU  20  15.776 -19.210  -1.182
  167    H    VAL  21           H        VAL  21  13.518 -15.928  -3.576
  168    HA   VAL  21           HA       VAL  21  16.085 -14.617  -3.802
  169    HB   VAL  21           HB       VAL  21  15.181 -12.822  -5.307
  170   1HG1  VAL  21          HG11      VAL  21  16.720 -14.551  -6.176
  171   2HG1  VAL  21          HG12      VAL  21  15.311 -15.470  -6.764
  172   3HG1  VAL  21          HG13      VAL  21  15.650 -13.845  -7.393
  173   1HG2  VAL  21          HG21      VAL  21  12.944 -14.807  -5.917
  174   2HG2  VAL  21          HG22      VAL  21  12.790 -13.201  -5.169
  175   3HG2  VAL  21          HG23      VAL  21  13.302 -13.340  -6.850
  176    H    THR  22           H        THR  22  15.530 -12.150  -3.323
  177    HA   THR  22           HA       THR  22  13.113 -11.697  -1.752
  178    HB   THR  22           HB       THR  22  14.314 -10.630   0.054
  179    HG1  THR  22           HG1      THR  22  16.607 -10.704   0.096
  180   1HG2  THR  22          HG21      THR  22  15.466 -12.426   1.170
  181   2HG2  THR  22          HG22      THR  22  14.073 -13.108   0.304
  182   3HG2  THR  22          HG23      THR  22  15.718 -13.294  -0.361
  183    H    ARG  23           H        ARG  23  13.253  -9.096  -1.342
  184    HA   ARG  23           HA       ARG  23  13.698  -7.652  -3.779
  185   1HB   ARG  23          HB2       ARG  23  12.321  -6.695  -2.076
  186   2HB   ARG  23          HB3       ARG  23  13.557  -6.912  -0.826
  187   1HG   ARG  23          HG2       ARG  23  14.947  -5.132  -2.043
  188   2HG   ARG  23          HG3       ARG  23  13.540  -4.877  -3.077
  189   1HD   ARG  23          HD2       ARG  23  13.250  -3.251  -1.410
  190   2HD   ARG  23          HD3       ARG  23  12.234  -4.577  -0.815
  191    HE   ARG  23           HE       ARG  23  15.047  -4.294   0.122
  192   1HH1  ARG  23          HH21      ARG  23  11.554  -4.223   1.028
  193   2HH1  ARG  23          HH22      ARG  23  11.932  -4.194   2.713
  194   1HH2  ARG  23          HH11      ARG  23  15.460  -4.258   2.171
  195   2HH2  ARG  23          HH12      ARG  23  14.235  -4.216   3.427
  196    H    GLU  24           H        GLU  24  15.807  -8.360  -0.932
  197    HA   GLU  24           HA       GLU  24  17.818  -6.498  -1.889
  198   1HB   GLU  24          HB2       GLU  24  17.896  -8.667   0.278
  199   2HB   GLU  24          HB3       GLU  24  19.175  -7.492   0.029
  200   1HG   GLU  24          HG2       GLU  24  16.306  -6.859   0.842
  201   2HG   GLU  24          HG3       GLU  24  17.698  -6.907   1.914
  202    H    GLN  25           H        GLN  25  17.281  -9.974  -2.343
  203    HA   GLN  25           HA       GLN  25  19.963 -10.757  -2.669
  204   1HB   GLN  25          HB2       GLN  25  17.298 -11.875  -3.561
  205   2HB   GLN  25          HB3       GLN  25  18.751 -12.605  -4.198
  206   1HG   GLN  25          HG2       GLN  25  18.093 -12.348  -1.237
  207   2HG   GLN  25          HG3       GLN  25  17.953 -13.808  -2.215
  208   1HE2  GLN  25          HE22      GLN  25  20.414 -13.636  -3.707
  209   2HE2  GLN  25          HE21      GLN  25  21.730 -13.847  -2.581
  210    H    LEU  26           H        LEU  26  17.817  -9.225  -4.961
  211    HA   LEU  26           HA       LEU  26  19.908  -9.381  -7.068
  212   1HB   LEU  26          HB2       LEU  26  17.949  -9.470  -8.665
  213   2HB   LEU  26          HB3       LEU  26  18.368 -10.895  -7.737
  214    HG   LEU  26           HG       LEU  26  16.472 -10.635  -6.262
  215   1HD1  LEU  26          HD11      LEU  26  14.672  -9.029  -6.663
  216   2HD1  LEU  26          HD12      LEU  26  16.146  -8.179  -6.230
  217   3HD1  LEU  26          HD13      LEU  26  15.617  -8.222  -7.925
  218   1HD2  LEU  26          HD21      LEU  26  16.278 -11.895  -8.368
  219   2HD2  LEU  26          HD22      LEU  26  14.733 -11.182  -7.876
  220   3HD2  LEU  26          HD23      LEU  26  15.683 -10.453  -9.190
  221    H    ILE  27           H        ILE  27  18.175  -7.181  -5.134
  222    HA   ILE  27           HA       ILE  27  18.137  -5.008  -7.033
  223    HB   ILE  27           HB       ILE  27  17.797  -5.390  -4.080
  224   1HG1  ILE  27          HG12      ILE  27  15.939  -5.579  -5.714
  225   2HG1  ILE  27          HG13      ILE  27  15.666  -4.337  -4.486
  226   1HG2  ILE  27          HG21      ILE  27  18.272  -2.584  -5.087
  227   2HG2  ILE  27          HG22      ILE  27  17.514  -3.032  -3.551
  228   3HG2  ILE  27          HG23      ILE  27  19.191  -3.479  -3.865
  229   1HD1  ILE  27          HD11      ILE  27  16.402  -3.921  -7.407
  230   2HD1  ILE  27          HD12      ILE  27  14.874  -3.552  -6.600
  231   3HD1  ILE  27          HD13      ILE  27  16.336  -2.630  -6.196
  232    H    GLY  28           H        GLY  28  19.423  -3.126  -6.934
  233   1HA   GLY  28          HA2       GLY  28  21.480  -2.274  -5.710
  234   2HA   GLY  28          HA3       GLY  28  22.326  -3.650  -6.443
  235    H    GLU  29           H        GLU  29  21.000  -3.531  -9.031
  236    HA   GLU  29           HA       GLU  29  21.781  -0.857 -10.067
  237   1HB   GLU  29          HB2       GLU  29  23.786  -2.409  -9.920
  238   2HB   GLU  29          HB3       GLU  29  22.997  -3.407 -11.155
  239   1HG   GLU  29          HG2       GLU  29  23.085  -1.578 -12.761
  240   2HG   GLU  29          HG3       GLU  29  23.520  -0.418 -11.507
  241    H    LYS  30           H        LYS  30  19.947  -3.827 -10.505
  242    HA   LYS  30           HA       LYS  30  18.877  -2.739 -13.064
  243   1HB   LYS  30          HB2       LYS  30  18.818  -5.600 -11.996
  244   2HB   LYS  30          HB3       LYS  30  17.916  -5.015 -13.388
  245   1HG   LYS  30          HG2       LYS  30  19.771  -5.894 -14.437
  246   2HG   LYS  30          HG3       LYS  30  20.193  -4.190 -14.315
  247   1HD   LYS  30          HD2       LYS  30  21.277  -5.213 -11.963
  248   2HD   LYS  30          HD3       LYS  30  21.438  -6.588 -13.031
  249   1HE   LYS  30          HE2       LYS  30  22.308  -3.766 -13.800
  250   2HE   LYS  30          HE3       LYS  30  23.368  -4.856 -12.906
  251   1HZ   LYS  30          HZ1       LYS  30  23.339  -6.396 -14.723
  252   2HZ   LYS  30          HZ2       LYS  30  22.253  -5.530 -15.581
  253   3HZ   LYS  30          HZ3       LYS  30  23.756  -4.937 -15.310
  254    HA   PRO  31           HA       PRO  31  15.129  -1.925 -10.632
  255   1HB   PRO  31          HB2       PRO  31  13.327  -1.750 -12.724
  256   2HB   PRO  31          HB3       PRO  31  14.441  -0.426 -12.251
  257   1HG   PRO  31          HG2       PRO  31  14.822  -2.507 -14.426
  258   2HG   PRO  31          HG3       PRO  31  15.032  -0.730 -14.542
  259   1HD   PRO  31          HD2       PRO  31  17.150  -2.337 -14.146
  260   2HD   PRO  31          HD3       PRO  31  17.025  -0.798 -13.250
  261    H    THR  32           H        THR  32  12.989  -3.053 -10.391
  262    HA   THR  32           HA       THR  32  13.169  -5.901 -11.198
  263    HB   THR  32           HB       THR  32  12.651  -4.895  -8.372
  264    HG1  THR  32           HG1      THR  32  14.794  -4.701  -8.835
  265   1HG2  THR  32          HG21      THR  32  12.859  -7.728  -9.496
  266   2HG2  THR  32          HG22      THR  32  12.917  -7.326  -7.769
  267   3HG2  THR  32          HG23      THR  32  11.457  -6.983  -8.705
  268    H    LEU  33           H        LEU  33  11.309  -6.822 -11.732
  269    HA   LEU  33           HA       LEU  33   8.783  -5.258 -11.367
  270   1HB   LEU  33          HB2       LEU  33   9.445  -5.450 -13.737
  271   2HB   LEU  33          HB3       LEU  33   9.705  -7.186 -13.540
  272    HG   LEU  33           HG       LEU  33   7.218  -7.420 -12.982
  273   1HD1  LEU  33          HD11      LEU  33   7.066  -4.603 -14.129
  274   2HD1  LEU  33          HD12      LEU  33   5.709  -5.647 -13.646
  275   3HD1  LEU  33          HD13      LEU  33   6.793  -5.007 -12.420
  276   1HD2  LEU  33          HD21      LEU  33   8.111  -8.031 -15.119
  277   2HD2  LEU  33          HD22      LEU  33   6.526  -7.277 -15.323
  278   3HD2  LEU  33          HD23      LEU  33   8.002  -6.362 -15.711
  279    H    ILE  34           H        ILE  34   7.235  -6.272 -10.224
  280    HA   ILE  34           HA       ILE  34   7.426  -9.215  -9.736
  281    HB   ILE  34           HB       ILE  34   5.852  -7.104  -8.212
  282   1HG1  ILE  34          HG12      ILE  34   8.357  -8.555  -7.280
  283   2HG1  ILE  34          HG13      ILE  34   8.253  -6.846  -7.704
  284   1HG2  ILE  34          HG21      ILE  34   6.289 -10.040  -7.549
  285   2HG2  ILE  34          HG22      ILE  34   5.253  -8.898  -6.664
  286   3HG2  ILE  34          HG23      ILE  34   4.805  -9.380  -8.278
  287   1HD1  ILE  34          HD11      ILE  34   6.515  -6.579  -5.867
  288   2HD1  ILE  34          HD12      ILE  34   6.916  -8.239  -5.354
  289   3HD1  ILE  34          HD13      ILE  34   8.154  -6.993  -5.341
  290    H    HIS  35           H        HIS  35   5.726 -10.364 -10.736
  291    HA   HIS  35           HA       HIS  35   3.325  -8.785 -11.494
  292   1HB   HIS  35          HB2       HIS  35   2.968 -10.084 -13.450
  293   2HB   HIS  35          HB3       HIS  35   4.495  -9.189 -13.582
  294    HD1  HIS  35           HD1      HIS  35   3.005 -12.604 -13.839
  295    HD2  HIS  35           HD2      HIS  35   6.797 -10.827 -13.463
  296    HE1  HIS  35           HE1      HIS  35   4.702 -14.410 -14.393
  297    H    PHE  36           H        PHE  36   1.487  -9.599 -10.786
  298    HA   PHE  36           HA       PHE  36   1.420 -12.228  -9.443
  299   1HB   PHE  36          HB2       PHE  36  -0.358  -9.761  -9.468
  300   2HB   PHE  36          HB3       PHE  36  -0.984 -11.347  -9.043
  301    HD1  PHE  36           HD1      PHE  36  -1.532 -11.258  -6.813
  302    HD2  PHE  36           HD2      PHE  36   2.316  -9.711  -8.016
  303    HE1  PHE  36           HE1      PHE  36  -0.834 -11.113  -4.455
  304    HE2  PHE  36           HE2      PHE  36   2.974  -9.536  -5.651
  305    HZ   PHE  36           HZ       PHE  36   1.419 -10.271  -3.856
  306    H    TRP  37           H        TRP  37   0.313 -13.836 -10.468
  307    HA   TRP  37           HA       TRP  37  -1.421 -13.439 -12.755
  308   1HB   TRP  37          HB2       TRP  37  -0.079 -14.634 -14.352
  309   2HB   TRP  37          HB3       TRP  37   0.913 -13.324 -13.761
  310    HD1  TRP  37           HD1      TRP  37   2.903 -14.080 -11.936
  311    HE1  TRP  37           HE1      TRP  37   4.100 -16.303 -11.551
  312    HE3  TRP  37           HE3      TRP  37   0.059 -17.068 -14.969
  313    HZ2  TRP  37           HZ2      TRP  37   3.866 -19.065 -12.471
  314    HZ3  TRP  37           HZ3      TRP  37   0.633 -19.455 -15.268
  315    HH2  TRP  37           HH2      TRP  37   2.522 -20.468 -14.010
  316    H    SER  38           H        SER  38  -1.904 -15.953 -13.521
  317    HA   SER  38           HA       SER  38  -1.133 -17.957 -11.666
  318   1HB   SER  38          HB2       SER  38  -4.144 -17.719 -11.908
  319   2HB   SER  38          HB3       SER  38  -3.188 -18.735 -10.835
  320    HG   SER  38           HG       SER  38  -2.451 -16.352 -10.237
  321    H    ILE  39           H        ILE  39  -1.734 -20.093 -12.481
  322    HA   ILE  39           HA       ILE  39  -1.534 -20.414 -15.278
  323    HB   ILE  39           HB       ILE  39  -1.903 -22.794 -14.756
  324   1HG1  ILE  39          HG12      ILE  39  -2.877 -21.748 -12.098
  325   2HG1  ILE  39          HG13      ILE  39  -3.479 -23.042 -13.102
  326   1HG2  ILE  39          HG21      ILE  39   0.139 -23.091 -13.635
  327   2HG2  ILE  39          HG22      ILE  39   0.279 -21.605 -14.556
  328   3HG2  ILE  39          HG23      ILE  39   0.041 -21.525 -12.809
  329   1HD1  ILE  39          HD11      ILE  39  -2.577 -24.039 -11.122
  330   2HD1  ILE  39          HD12      ILE  39  -1.393 -24.373 -12.398
  331   3HD1  ILE  39          HD13      ILE  39  -1.091 -23.087 -11.231
  332    H    SER  40           H        SER  40  -4.350 -19.533 -13.606
  333    HA   SER  40           HA       SER  40  -6.100 -20.405 -15.822
  334   1HB   SER  40          HB2       SER  40  -6.613 -21.076 -12.897
  335   2HB   SER  40          HB3       SER  40  -7.664 -21.457 -14.266
  336    HG   SER  40           HG       SER  40  -6.386 -23.211 -13.540
  337    H    CYS  41           H        CYS  41  -5.563 -17.830 -15.868
  338    HA   CYS  41           HA       CYS  41  -8.107 -16.743 -15.001
  339   1HB   CYS  41          HB2       CYS  41  -6.883 -14.516 -14.303
  340   2HB   CYS  41          HB3       CYS  41  -7.287 -15.793 -13.191
  341    H    HIS  42           H        HIS  42  -8.872 -15.085 -16.194
  342    HA   HIS  42           HA       HIS  42  -8.512 -15.498 -18.883
  343   1HB   HIS  42          HB2       HIS  42 -10.580 -14.783 -17.715
  344   2HB   HIS  42          HB3       HIS  42  -9.905 -13.164 -17.516
  345    HD1  HIS  42           HD1      HIS  42 -10.675 -11.532 -19.414
  346    HD2  HIS  42           HD2      HIS  42 -10.628 -15.595 -20.525
  347    HE1  HIS  42           HE1      HIS  42 -11.520 -11.627 -21.811
  348    H    LEU  43           H        LEU  43  -6.724 -13.042 -17.076
  349    HA   LEU  43           HA       LEU  43  -5.630 -12.207 -19.731
  350   1HB   LEU  43          HB2       LEU  43  -6.744 -10.525 -17.675
  351   2HB   LEU  43          HB3       LEU  43  -5.017 -10.225 -17.738
  352    HG   LEU  43           HG       LEU  43  -6.215  -8.690 -19.183
  353   1HD1  LEU  43          HD11      LEU  43  -4.952  -8.957 -21.235
  354   2HD1  LEU  43          HD12      LEU  43  -3.941  -9.481 -19.874
  355   3HD1  LEU  43          HD13      LEU  43  -4.719 -10.690 -20.919
  356   1HD2  LEU  43          HD21      LEU  43  -7.131 -11.085 -20.841
  357   2HD2  LEU  43          HD22      LEU  43  -8.163 -10.182 -19.713
  358   3HD2  LEU  43          HD23      LEU  43  -7.480  -9.372 -21.134
  359    H    CYS  44           H        CYS  44  -4.932 -13.776 -16.842
  360    HA   CYS  44           HA       CYS  44  -2.109 -13.400 -16.678
  361   1HB   CYS  44          HB2       CYS  44  -3.782 -15.862 -16.059
  362   2HB   CYS  44          HB3       CYS  44  -2.186 -15.484 -15.427
  363    H    LYS  45           H        LYS  45  -4.207 -15.400 -18.803
  364    HA   LYS  45           HA       LYS  45  -2.031 -16.848 -19.950
  365   1HB   LYS  45          HB2       LYS  45  -3.526 -17.854 -21.237
  366   2HB   LYS  45          HB3       LYS  45  -4.692 -17.155 -20.127
  367   1HG   LYS  45          HG2       LYS  45  -3.936 -15.980 -22.848
  368   2HG   LYS  45          HG3       LYS  45  -5.283 -17.057 -22.548
  369   1HD   LYS  45          HD2       LYS  45  -6.394 -15.487 -21.128
  370   2HD   LYS  45          HD3       LYS  45  -5.039 -14.326 -21.186
  371   1HE   LYS  45          HE2       LYS  45  -5.338 -13.852 -23.456
  372   2HE   LYS  45          HE3       LYS  45  -6.283 -15.308 -23.768
  373   1HZ   LYS  45          HZ1       LYS  45  -8.162 -14.404 -22.792
  374   2HZ   LYS  45          HZ2       LYS  45  -7.375 -13.259 -21.962
  375   3HZ   LYS  45          HZ3       LYS  45  -7.562 -13.123 -23.603
  376    H    GLU  46           H        GLU  46  -2.804 -13.480 -20.336
  377    HA   GLU  46           HA       GLU  46  -1.185 -13.362 -22.834
  378   1HB   GLU  46          HB2       GLU  46  -2.539 -11.152 -21.262
  379   2HB   GLU  46          HB3       GLU  46  -1.554 -10.910 -22.694
  380   1HG   GLU  46          HG2       GLU  46  -4.142 -12.495 -22.593
  381   2HG   GLU  46          HG3       GLU  46  -3.961 -10.871 -23.223
  382    H    ALA  47           H        ALA  47  -1.109 -12.796 -19.311
  383    HA   ALA  47           HA       ALA  47   1.350 -11.401 -19.226
  384   1HB   ALA  47          HB1       ALA  47   0.370 -13.389 -17.117
  385   2HB   ALA  47          HB2       ALA  47   1.477 -12.027 -16.898
  386   3HB   ALA  47          HB3       ALA  47  -0.234 -11.724 -17.250
  387    H    MET  48           H        MET  48   0.721 -14.975 -19.063
  388    HA   MET  48           HA       MET  48   3.426 -15.537 -18.574
  389   1HB   MET  48          HB2       MET  48   2.971 -17.848 -19.104
  390   2HB   MET  48          HB3       MET  48   1.768 -17.104 -18.050
  391   1HG   MET  48          HG2       MET  48   0.288 -16.875 -20.117
  392   2HG   MET  48          HG3       MET  48   1.471 -17.908 -20.940
  393   1HE   MET  48          HE1       MET  48  -1.262 -19.275 -17.453
  394   2HE   MET  48          HE2       MET  48   0.148 -18.238 -17.148
  395   3HE   MET  48          HE3       MET  48  -1.200 -17.629 -18.124
  396    HA   PRO  49           HA       PRO  49   4.555 -15.990 -23.150
  397   1HB   PRO  49          HB2       PRO  49   3.203 -14.478 -25.021
  398   2HB   PRO  49          HB3       PRO  49   2.826 -16.193 -24.641
  399   1HG   PRO  49          HG2       PRO  49   1.464 -13.699 -23.633
  400   2HG   PRO  49          HG3       PRO  49   0.714 -15.203 -24.239
  401   1HD   PRO  49          HD2       PRO  49   1.001 -14.777 -21.579
  402   2HD   PRO  49          HD3       PRO  49   1.228 -16.387 -22.292
  403    H    GLN  50           H        GLN  50   3.105 -12.819 -22.030
  404    HA   GLN  50           HA       GLN  50   5.075 -11.314 -23.523
  405   1HB   GLN  50          HB2       GLN  50   2.718 -10.570 -22.766
  406   2HB   GLN  50          HB3       GLN  50   3.436 -10.333 -21.163
  407   1HG   GLN  50          HG2       GLN  50   5.228  -8.894 -22.492
  408   2HG   GLN  50          HG3       GLN  50   4.023  -8.903 -23.780
  409   1HE2  GLN  50          HE22      GLN  50   1.604  -8.622 -22.474
  410   2HE2  GLN  50          HE21      GLN  50   1.616  -7.131 -21.532
  411    H    VAL  51           H        VAL  51   4.704 -12.492 -20.197
  412    HA   VAL  51           HA       VAL  51   6.885 -11.235 -18.974
  413    HB   VAL  51           HB       VAL  51   5.364 -13.810 -18.529
  414   1HG1  VAL  51          HG11      VAL  51   7.492 -12.786 -16.619
  415   2HG1  VAL  51          HG12      VAL  51   6.364 -14.140 -16.379
  416   3HG1  VAL  51          HG13      VAL  51   7.611 -14.265 -17.609
  417   1HG2  VAL  51          HG21      VAL  51   4.295 -12.663 -16.747
  418   2HG2  VAL  51          HG22      VAL  51   5.521 -11.386 -16.691
  419   3HG2  VAL  51          HG23      VAL  51   4.363 -11.457 -18.037
  420    H    ASN  52           H        ASN  52   6.682 -14.416 -20.700
  421    HA   ASN  52           HA       ASN  52   9.430 -15.068 -20.451
  422   1HB   ASN  52          HB2       ASN  52   8.118 -16.824 -21.197
  423   2HB   ASN  52          HB3       ASN  52   7.181 -15.824 -22.299
  424   1HD2  ASN  52          HD22      ASN  52   7.632 -16.027 -24.426
  425   2HD2  ASN  52          HD21      ASN  52   9.130 -16.642 -25.090
  426    H    GLU  53           H        GLU  53   7.713 -13.154 -22.977
  427    HA   GLU  53           HA       GLU  53   9.978 -12.707 -24.621
  428   1HB   GLU  53          HB2       GLU  53   7.312 -11.314 -24.258
  429   2HB   GLU  53          HB3       GLU  53   8.584 -10.531 -25.182
  430   1HG   GLU  53          HG2       GLU  53   8.772 -12.605 -26.597
  431   2HG   GLU  53          HG3       GLU  53   7.356 -13.247 -25.749
  432    H    PHE  54           H        PHE  54   8.545 -10.310 -22.234
  433    HA   PHE  54           HA       PHE  54  10.747  -8.572 -22.733
  434   1HB   PHE  54          HB2       PHE  54   9.919  -7.151 -21.007
  435   2HB   PHE  54          HB3       PHE  54   8.616  -7.711 -22.018
  436    HD1  PHE  54           HD1      PHE  54  10.332  -8.676 -18.752
  437    HD2  PHE  54           HD2      PHE  54   6.629  -8.105 -20.900
  438    HE1  PHE  54           HE1      PHE  54   9.059  -9.309 -16.747
  439    HE2  PHE  54           HE2      PHE  54   5.359  -8.682 -18.860
  440    HZ   PHE  54           HZ       PHE  54   6.568  -9.292 -16.771
  441    H    ARG  55           H        ARG  55  10.349 -11.189 -20.353
  442    HA   ARG  55           HA       ARG  55  12.645 -10.563 -18.782
  443   1HB   ARG  55          HB2       ARG  55  11.062 -12.214 -18.069
  444   2HB   ARG  55          HB3       ARG  55  11.281 -13.182 -19.512
  445   1HG   ARG  55          HG2       ARG  55  13.499 -12.727 -17.472
  446   2HG   ARG  55          HG3       ARG  55  12.310 -14.019 -17.340
  447   1HD   ARG  55          HD2       ARG  55  14.407 -13.720 -19.517
  448   2HD   ARG  55          HD3       ARG  55  14.313 -14.942 -18.283
  449    HE   ARG  55           HE       ARG  55  12.513 -14.647 -20.653
  450   1HH1  ARG  55          HH21      ARG  55  13.550 -16.654 -17.911
  451   2HH1  ARG  55          HH22      ARG  55  12.786 -18.092 -18.501
  452   1HH2  ARG  55          HH11      ARG  55  11.538 -16.619 -21.470
  453   2HH2  ARG  55          HH12      ARG  55  11.781 -18.091 -20.609
  454    H    ASP  56           H        ASP  56  12.365 -12.360 -21.929
  455    HA   ASP  56           HA       ASP  56  15.201 -12.974 -21.947
  456   1HB   ASP  56          HB2       ASP  56  13.684 -14.366 -23.167
  457   2HB   ASP  56          HB3       ASP  56  13.112 -13.000 -24.140
  458    H    LYS  57           H        LYS  57  13.177 -10.402 -23.427
  459    HA   LYS  57           HA       LYS  57  15.253  -9.172 -24.942
  460   1HB   LYS  57          HB2       LYS  57  12.797  -7.920 -23.639
  461   2HB   LYS  57          HB3       LYS  57  13.800  -7.136 -24.866
  462   1HG   LYS  57          HG2       LYS  57  13.226  -8.812 -26.523
  463   2HG   LYS  57          HG3       LYS  57  12.382  -9.773 -25.314
  464   1HD   LYS  57          HD2       LYS  57  10.800  -7.779 -24.984
  465   2HD   LYS  57          HD3       LYS  57  11.534  -7.079 -26.444
  466   1HE   LYS  57          HE2       LYS  57  10.907  -9.144 -27.714
  467   2HE   LYS  57          HE3       LYS  57  10.235  -9.837 -26.238
  468   1HZ   LYS  57          HZ1       LYS  57   8.699  -7.795 -26.259
  469   2HZ   LYS  57          HZ2       LYS  57   9.166  -7.602 -27.814
  470   3HZ   LYS  57          HZ3       LYS  57   8.420  -8.998 -27.358
  471    H    TYR  58           H        TYR  58  14.333  -8.814 -21.547
  472    HA   TYR  58           HA       TYR  58  16.491  -6.771 -21.237
  473   1HB   TYR  58          HB2       TYR  58  13.949  -6.900 -19.639
  474   2HB   TYR  58          HB3       TYR  58  15.110  -5.583 -19.721
  475    HD1  TYR  58           HD1      TYR  58  15.564  -4.892 -22.438
  476    HD2  TYR  58           HD2      TYR  58  11.941  -6.370 -20.651
  477    HE1  TYR  58           HE1      TYR  58  14.272  -4.021 -24.359
  478    HE2  TYR  58           HE2      TYR  58  10.631  -5.542 -22.590
  479    HH   TYR  58           HH       TYR  58  10.747  -4.621 -24.750
  480    H    GLN  59           H        GLN  59  16.111  -9.931 -20.279
  481    HA   GLN  59           HA       GLN  59  16.440 -10.093 -17.664
  482   1HB   GLN  59          HB2       GLN  59  18.046 -12.106 -18.120
  483   2HB   GLN  59          HB3       GLN  59  16.368 -12.138 -18.601
  484   1HG   GLN  59          HG2       GLN  59  17.920 -13.122 -20.272
  485   2HG   GLN  59          HG3       GLN  59  16.866 -11.889 -20.896
  486   1HE2  GLN  59          HE22      GLN  59  17.840 -10.488 -22.303
  487   2HE2  GLN  59          HE21      GLN  59  19.515  -9.972 -22.225
  488    H    ASP  60           H        ASP  60  19.156  -8.841 -19.594
  489    HA   ASP  60           HA       ASP  60  20.993  -8.967 -17.288
  490   1HB   ASP  60          HB2       ASP  60  21.769  -9.375 -19.599
  491   2HB   ASP  60          HB3       ASP  60  21.284  -7.744 -20.058
  492    H    GLN  61           H        GLN  61  18.513  -6.935 -18.182
  493    HA   GLN  61           HA       GLN  61  19.749  -4.384 -17.241
  494   1HB   GLN  61          HB2       GLN  61  17.461  -4.870 -19.192
  495   2HB   GLN  61          HB3       GLN  61  18.244  -3.331 -18.876
  496   1HG   GLN  61          HG2       GLN  61  20.107  -3.856 -20.195
  497   2HG   GLN  61          HG3       GLN  61  19.936  -5.586 -19.964
  498   1HE2  GLN  61          HE22      GLN  61  19.344  -6.693 -21.789
  499   2HE2  GLN  61          HE21      GLN  61  18.169  -6.129 -22.943
  500    H    LEU  62           H        LEU  62  17.306  -6.738 -16.761
  501    HA   LEU  62           HA       LEU  62  15.709  -5.087 -14.854
  502   1HB   LEU  62          HB2       LEU  62  14.677  -5.075 -17.136
  503   2HB   LEU  62          HB3       LEU  62  14.805  -6.824 -17.198
  504    HG   LEU  62           HG       LEU  62  13.206  -7.006 -15.281
  505   1HD1  LEU  62          HD11      LEU  62  11.791  -5.045 -14.747
  506   2HD1  LEU  62          HD12      LEU  62  13.464  -4.770 -14.271
  507   3HD1  LEU  62          HD13      LEU  62  12.839  -4.010 -15.747
  508   1HD2  LEU  62          HD21      LEU  62  11.227  -6.428 -16.693
  509   2HD2  LEU  62          HD22      LEU  62  12.348  -5.634 -17.834
  510   3HD2  LEU  62          HD23      LEU  62  12.470  -7.372 -17.527
  511    H    ASN  63           H        ASN  63  15.060  -6.286 -13.076
  512    HA   ASN  63           HA       ASN  63  15.638  -9.206 -12.959
  513   1HB   ASN  63          HB2       ASN  63  14.746  -7.195 -10.886
  514   2HB   ASN  63          HB3       ASN  63  14.853  -8.915 -10.591
  515   1HD2  ASN  63          HD22      ASN  63  16.222  -6.499  -9.460
  516   2HD2  ASN  63          HD21      ASN  63  17.918  -6.974  -9.438
  517    H    VAL  64           H        VAL  64  13.819 -10.607 -12.885
  518    HA   VAL  64           HA       VAL  64  11.107  -9.374 -12.824
  519    HB   VAL  64           HB       VAL  64  11.905 -11.730 -14.587
  520   1HG1  VAL  64          HG11      VAL  64   9.670 -11.460 -15.546
  521   2HG1  VAL  64          HG12      VAL  64   9.528 -11.664 -13.798
  522   3HG1  VAL  64          HG13      VAL  64   9.357 -10.053 -14.496
  523   1HG2  VAL  64          HG21      VAL  64  11.533 -10.233 -16.537
  524   2HG2  VAL  64          HG22      VAL  64  11.414  -8.843 -15.430
  525   3HG2  VAL  64          HG23      VAL  64  12.937  -9.750 -15.589
  526    H    VAL  65           H        VAL  65   9.858 -10.321 -11.278
  527    HA   VAL  65           HA       VAL  65  10.408 -13.113 -10.542
  528    HB   VAL  65           HB       VAL  65  10.306 -12.793  -8.228
  529   1HG1  VAL  65          HG11      VAL  65  12.521 -12.191  -9.132
  530   2HG1  VAL  65          HG12      VAL  65  12.048 -10.474  -9.130
  531   3HG1  VAL  65          HG13      VAL  65  12.150 -11.369  -7.608
  532   1HG2  VAL  65          HG21      VAL  65   9.505  -9.903  -8.679
  533   2HG2  VAL  65          HG22      VAL  65   8.521 -11.207  -7.960
  534   3HG2  VAL  65          HG23      VAL  65   9.929 -10.603  -7.096
  535    H    ALA  66           H        ALA  66   8.427 -14.113  -9.684
  536    HA   ALA  66           HA       ALA  66   5.956 -12.796 -10.760
  537   1HB   ALA  66          HB1       ALA  66   5.437 -14.799 -11.829
  538   2HB   ALA  66          HB2       ALA  66   7.184 -14.661 -12.097
  539   3HB   ALA  66          HB3       ALA  66   6.565 -15.741 -10.839
  540    H    VAL  67           H        VAL  67   3.974 -13.530  -9.740
  541    HA   VAL  67           HA       VAL  67   4.307 -15.077  -7.238
  542    HB   VAL  67           HB       VAL  67   2.489 -12.665  -7.466
  543   1HG1  VAL  67          HG11      VAL  67   3.590 -14.195  -5.065
  544   2HG1  VAL  67          HG12      VAL  67   2.486 -12.806  -5.007
  545   3HG1  VAL  67          HG13      VAL  67   1.941 -14.330  -5.716
  546   1HG2  VAL  67          HG21      VAL  67   4.678 -11.738  -7.742
  547   2HG2  VAL  67          HG22      VAL  67   4.207 -11.453  -6.066
  548   3HG2  VAL  67          HG23      VAL  67   5.355 -12.746  -6.435
  549    H    HIS  68           H        HIS  68   2.926 -16.767  -7.202
  550    HA   HIS  68           HA       HIS  68   0.817 -16.879  -9.318
  551   1HB   HIS  68          HB2       HIS  68   2.543 -18.668  -9.437
  552   2HB   HIS  68          HB3       HIS  68   2.101 -19.189  -7.806
  553    HD1  HIS  68           HD1      HIS  68  -0.670 -19.999  -7.604
  554    HD2  HIS  68           HD2      HIS  68   1.032 -19.439 -11.419
  555    HE1  HIS  68           HE1      HIS  68  -2.346 -20.867  -9.270
  556    H    MET  69           H        MET  69  -0.998 -16.073  -8.388
  557    HA   MET  69           HA       MET  69  -1.348 -15.833  -5.588
  558   1HB   MET  69          HB2       MET  69  -3.066 -15.403  -8.022
  559   2HB   MET  69          HB3       MET  69  -3.857 -15.478  -6.450
  560   1HG   MET  69          HG2       MET  69  -1.499 -13.675  -7.007
  561   2HG   MET  69          HG3       MET  69  -3.179 -13.167  -7.182
  562   1HE   MET  69          HE1       MET  69  -4.582 -13.088  -3.576
  563   2HE   MET  69          HE2       MET  69  -4.814 -12.601  -5.268
  564   3HE   MET  69          HE3       MET  69  -4.833 -14.325  -4.815
  565    HA   PRO  70           HA       PRO  70  -2.950 -20.052  -4.961
  566   1HB   PRO  70          HB2       PRO  70  -2.897 -20.169  -2.249
  567   2HB   PRO  70          HB3       PRO  70  -1.418 -20.198  -3.257
  568   1HG   PRO  70          HG2       PRO  70  -2.663 -17.810  -1.865
  569   2HG   PRO  70          HG3       PRO  70  -0.945 -18.342  -1.830
  570   1HD   PRO  70          HD2       PRO  70  -1.909 -16.392  -3.527
  571   2HD   PRO  70          HD3       PRO  70  -0.561 -17.486  -3.969
  572    H    ARG  71           H        ARG  71  -4.833 -18.738  -5.981
  573    HA   ARG  71           HA       ARG  71  -6.915 -17.607  -4.432
  574   1HB   ARG  71          HB2       ARG  71  -6.970 -19.003  -7.129
  575   2HB   ARG  71          HB3       ARG  71  -8.315 -18.066  -6.488
  576   1HG   ARG  71          HG2       ARG  71  -7.301 -16.032  -6.858
  577   2HG   ARG  71          HG3       ARG  71  -5.702 -16.633  -6.471
  578   1HD   ARG  71          HD2       ARG  71  -5.610 -16.108  -8.754
  579   2HD   ARG  71          HD3       ARG  71  -5.648 -17.863  -8.647
  580    HE   ARG  71           HE       ARG  71  -8.154 -16.297  -9.100
  581   1HH1  ARG  71          HH21      ARG  71  -5.967 -18.889 -10.322
  582   2HH1  ARG  71          HH22      ARG  71  -6.822 -18.954 -11.840
  583   1HH2  ARG  71          HH11      ARG  71  -9.300 -16.652 -11.081
  584   2HH2  ARG  71          HH12      ARG  71  -8.669 -17.786 -12.238
  585    H    SER  72           H        SER  72  -6.108 -20.965  -4.955
  586    HA   SER  72           HA       SER  72  -8.329 -22.080  -3.443
  587   1HB   SER  72          HB2       SER  72  -7.895 -22.749  -6.399
  588   2HB   SER  72          HB3       SER  72  -9.113 -23.457  -5.328
  589    HG   SER  72           HG       SER  72  -9.987 -21.855  -6.710
  590    H    GLU  73           H        GLU  73  -7.951 -24.562  -3.420
  591    HA   GLU  73           HA       GLU  73  -5.286 -25.396  -3.072
  592   1HB   GLU  73          HB2       GLU  73  -7.633 -27.119  -3.971
  593   2HB   GLU  73          HB3       GLU  73  -6.126 -27.657  -3.237
  594   1HG   GLU  73          HG2       GLU  73  -7.375 -27.684  -1.361
  595   2HG   GLU  73          HG3       GLU  73  -6.882 -26.001  -1.262
  596    H    ASP  74           H        ASP  74  -7.396 -25.495  -5.957
  597    HA   ASP  74           HA       ASP  74  -5.428 -26.673  -7.678
  598   1HB   ASP  74          HB2       ASP  74  -7.927 -26.875  -7.907
  599   2HB   ASP  74          HB3       ASP  74  -7.986 -25.176  -8.381
  600    H    ASP  75           H        ASP  75  -4.998 -23.908  -6.284
  601    HA   ASP  75           HA       ASP  75  -3.694 -22.600  -8.626
  602   1HB   ASP  75          HB2       ASP  75  -5.618 -21.404  -6.659
  603   2HB   ASP  75          HB3       ASP  75  -4.257 -20.437  -7.145
  604    H    LEU  76           H        LEU  76  -3.251 -24.279  -5.882
  605    HA   LEU  76           HA       LEU  76  -0.578 -23.056  -5.524
  606   1HB   LEU  76          HB2       LEU  76  -0.618 -23.557  -3.163
  607   2HB   LEU  76          HB3       LEU  76  -1.910 -22.461  -3.662
  608    HG   LEU  76           HG       LEU  76  -3.514 -24.365  -3.610
  609   1HD1  LEU  76          HD11      LEU  76  -1.221 -25.806  -2.200
  610   2HD1  LEU  76          HD12      LEU  76  -2.926 -26.287  -2.062
  611   3HD1  LEU  76          HD13      LEU  76  -2.131 -26.365  -3.624
  612   1HD2  LEU  76          HD21      LEU  76  -2.128 -23.612  -1.006
  613   2HD2  LEU  76          HD22      LEU  76  -3.391 -22.682  -1.842
  614   3HD2  LEU  76          HD23      LEU  76  -3.778 -24.260  -1.152
  615    H    ASP  77           H        ASP  77  -2.395 -25.712  -6.516
  616    HA   ASP  77           HA       ASP  77  -0.970 -27.964  -6.047
  617   1HB   ASP  77          HB2       ASP  77  -3.044 -27.845  -7.354
  618   2HB   ASP  77          HB3       ASP  77  -2.176 -27.098  -8.702
  619    HA   PRO  78           HA       PRO  78   2.930 -26.313  -7.605
  620   1HB   PRO  78          HB2       PRO  78   4.607 -28.366  -6.859
  621   2HB   PRO  78          HB3       PRO  78   3.961 -27.132  -5.737
  622   1HG   PRO  78          HG2       PRO  78   2.926 -29.933  -6.228
  623   2HG   PRO  78          HG3       PRO  78   3.179 -29.101  -4.661
  624   1HD   PRO  78          HD2       PRO  78   0.722 -29.252  -5.874
  625   2HD   PRO  78          HD3       PRO  78   1.194 -27.812  -4.938
  626    H    GLY  79           H        GLY  79   1.300 -29.198  -8.707
  627   1HA   GLY  79          HA2       GLY  79   3.288 -30.063 -10.643
  628   2HA   GLY  79          HA3       GLY  79   1.608 -30.620 -10.458
  629    H    LYS  80           H        LYS  80   0.030 -28.353 -10.720
  630    HA   LYS  80           HA       LYS  80   0.380 -27.909 -13.555
  631   1HB   LYS  80          HB2       LYS  80  -1.850 -28.135 -12.414
  632   2HB   LYS  80          HB3       LYS  80  -1.621 -26.498 -11.769
  633   1HG   LYS  80          HG2       LYS  80  -1.164 -25.765 -14.183
  634   2HG   LYS  80          HG3       LYS  80  -1.593 -27.384 -14.706
  635   1HD   LYS  80          HD2       LYS  80  -3.906 -27.016 -14.068
  636   2HD   LYS  80          HD3       LYS  80  -3.479 -25.491 -13.235
  637   1HE   LYS  80          HE2       LYS  80  -2.500 -24.646 -15.389
  638   2HE   LYS  80          HE3       LYS  80  -3.041 -26.113 -16.184
  639   1HZ   LYS  80          HZ1       LYS  80  -4.823 -24.020 -15.002
  640   2HZ   LYS  80          HZ2       LYS  80  -4.604 -24.328 -16.581
  641   3HZ   LYS  80          HZ3       LYS  80  -5.354 -25.433 -15.651
  642    H    ILE  81           H        ILE  81   1.233 -25.902 -10.686
  643    HA   ILE  81           HA       ILE  81   1.662 -23.516 -12.221
  644    HB   ILE  81           HB       ILE  81   3.067 -24.452  -9.704
  645   1HG1  ILE  81          HG12      ILE  81   0.812 -22.412  -9.777
  646   2HG1  ILE  81          HG13      ILE  81   0.410 -24.120  -9.752
  647   1HG2  ILE  81          HG21      ILE  81   4.276 -22.596 -10.849
  648   2HG2  ILE  81          HG22      ILE  81   2.786 -21.643 -10.892
  649   3HG2  ILE  81          HG23      ILE  81   3.554 -22.038  -9.341
  650   1HD1  ILE  81          HD11      ILE  81   0.442 -23.346  -7.504
  651   2HD1  ILE  81          HD12      ILE  81   1.804 -24.459  -7.774
  652   3HD1  ILE  81          HD13      ILE  81   2.090 -22.703  -7.677
  653    H    LYS  82           H        LYS  82   3.885 -26.174 -11.207
  654    HA   LYS  82           HA       LYS  82   6.120 -25.339 -12.717
  655   1HB   LYS  82          HB2       LYS  82   6.307 -27.104 -11.055
  656   2HB   LYS  82          HB3       LYS  82   5.124 -28.101 -11.906
  657   1HG   LYS  82          HG2       LYS  82   7.288 -28.996 -12.343
  658   2HG   LYS  82          HG3       LYS  82   6.624 -28.309 -13.837
  659   1HD   LYS  82          HD2       LYS  82   8.101 -26.364 -13.664
  660   2HD   LYS  82          HD3       LYS  82   8.547 -26.795 -12.011
  661   1HE   LYS  82          HE2       LYS  82  10.394 -27.357 -13.414
  662   2HE   LYS  82          HE3       LYS  82   9.669 -28.852 -12.822
  663   1HZ   LYS  82          HZ1       LYS  82  10.206 -28.977 -15.168
  664   2HZ   LYS  82          HZ2       LYS  82   8.595 -29.107 -14.991
  665   3HZ   LYS  82          HZ3       LYS  82   9.261 -27.703 -15.524
  666    H    GLU  83           H        GLU  83   3.459 -27.590 -13.717
  667    HA   GLU  83           HA       GLU  83   4.673 -28.154 -16.197
  668   1HB   GLU  83          HB2       GLU  83   1.804 -28.392 -15.232
  669   2HB   GLU  83          HB3       GLU  83   2.246 -28.791 -16.894
  670   1HG   GLU  83          HG2       GLU  83   3.891 -30.434 -16.142
  671   2HG   GLU  83          HG3       GLU  83   3.569 -30.055 -14.458
  672    H    THR  84           H        THR  84   2.105 -25.679 -15.458
  673    HA   THR  84           HA       THR  84   2.078 -24.675 -18.126
  674    HB   THR  84           HB       THR  84   1.561 -23.072 -15.601
  675    HG1  THR  84           HG1      THR  84   0.401 -24.886 -15.292
  676   1HG2  THR  84          HG21      THR  84  -0.243 -22.035 -16.984
  677   2HG2  THR  84          HG22      THR  84   1.368 -21.778 -17.676
  678   3HG2  THR  84          HG23      THR  84   0.288 -23.009 -18.373
  679    H    ALA  85           H        ALA  85   4.238 -24.014 -15.366
  680    HA   ALA  85           HA       ALA  85   5.536 -21.796 -16.575
  681   1HB   ALA  85          HB1       ALA  85   7.390 -22.290 -14.960
  682   2HB   ALA  85          HB2       ALA  85   5.813 -22.145 -14.179
  683   3HB   ALA  85          HB3       ALA  85   6.543 -23.756 -14.459
  684    H    ALA  86           H        ALA  86   5.930 -25.298 -17.001
  685    HA   ALA  86           HA       ALA  86   8.399 -25.026 -18.531
  686   1HB   ALA  86          HB1       ALA  86   6.369 -27.310 -18.481
  687   2HB   ALA  86          HB2       ALA  86   8.019 -27.365 -19.124
  688   3HB   ALA  86          HB3       ALA  86   7.755 -27.149 -17.380
  689    H    GLU  87           H        GLU  87   4.871 -25.236 -19.200
  690    HA   GLU  87           HA       GLU  87   5.223 -25.504 -21.997
  691   1HB   GLU  87          HB2       GLU  87   2.852 -24.697 -20.271
  692   2HB   GLU  87          HB3       GLU  87   2.708 -24.810 -22.019
  693   1HG   GLU  87          HG2       GLU  87   3.628 -27.131 -20.271
  694   2HG   GLU  87          HG3       GLU  87   1.960 -26.855 -20.757
  695    H    HIS  88           H        HIS  88   5.124 -22.600 -20.040
  696    HA   HIS  88           HA       HIS  88   5.309 -20.985 -22.554
  697   1HB   HIS  88          HB2       HIS  88   4.064 -20.258 -19.891
  698   2HB   HIS  88          HB3       HIS  88   4.287 -19.141 -21.238
  699    HD1  HIS  88           HD1      HIS  88   2.656 -19.535 -23.395
  700    HD2  HIS  88           HD2      HIS  88   2.149 -22.152 -20.137
  701    HE1  HIS  88           HE1      HIS  88   0.492 -20.802 -23.823
  702    H    ASP  89           H        ASP  89   7.337 -22.311 -20.527
  703    HA   ASP  89           HA       ASP  89   9.416 -21.930 -19.817
  704   1HB   ASP  89          HB2       ASP  89   9.676 -21.552 -22.274
  705   2HB   ASP  89          HB3       ASP  89   9.603 -19.813 -21.981
  706    H    ILE  90           H        ILE  90   7.647 -20.852 -18.239
  707    HA   ILE  90           HA       ILE  90   8.276 -18.100 -17.453
  708    HB   ILE  90           HB       ILE  90   6.556 -20.113 -15.988
  709   1HG1  ILE  90          HG12      ILE  90   5.547 -18.359 -18.255
  710   2HG1  ILE  90          HG13      ILE  90   5.645 -20.124 -18.242
  711   1HG2  ILE  90          HG21      ILE  90   7.249 -17.972 -14.919
  712   2HG2  ILE  90          HG22      ILE  90   6.336 -17.096 -16.184
  713   3HG2  ILE  90          HG23      ILE  90   5.498 -18.162 -15.026
  714   1HD1  ILE  90          HD11      ILE  90   4.086 -20.106 -16.210
  715   2HD1  ILE  90          HD12      ILE  90   3.781 -18.396 -16.588
  716   3HD1  ILE  90          HD13      ILE  90   3.374 -19.657 -17.759
  717    H    THR  91           H        THR  91  10.633 -18.921 -17.317
  718    HA   THR  91           HA       THR  91  11.213 -20.611 -14.996
  719    HB   THR  91           HB       THR  91  13.478 -20.739 -16.155
  720    HG1  THR  91           HG1      THR  91  13.363 -20.274 -18.372
  721   1HG2  THR  91          HG21      THR  91  10.984 -21.756 -17.601
  722   2HG2  THR  91          HG22      THR  91  12.627 -22.419 -17.736
  723   3HG2  THR  91          HG23      THR  91  11.757 -22.526 -16.199
  724    H    GLN  92           H        GLN  92  10.856 -17.368 -15.237
  725    HA   GLN  92           HA       GLN  92  13.184 -16.451 -13.782
  726   1HB   GLN  92          HB2       GLN  92  12.056 -14.403 -13.557
  727   2HB   GLN  92          HB3       GLN  92  11.655 -14.964 -15.158
  728   1HG   GLN  92          HG2       GLN  92   9.801 -15.180 -12.732
  729   2HG   GLN  92          HG3       GLN  92   9.825 -13.848 -13.856
  730   1HE2  GLN  92          HE22      GLN  92   7.401 -14.554 -13.917
  731   2HE2  GLN  92          HE21      GLN  92   7.025 -15.806 -15.061
  732    HA   PRO  93           HA       PRO  93  12.146 -17.798  -9.615
  733   1HB   PRO  93          HB2       PRO  93  12.166 -14.877  -8.827
  734   2HB   PRO  93          HB3       PRO  93  12.932 -16.269  -8.003
  735   1HG   PRO  93          HG2       PRO  93  14.422 -14.609  -9.536
  736   2HG   PRO  93          HG3       PRO  93  14.661 -16.384  -9.652
  737   1HD   PRO  93          HD2       PRO  93  13.081 -14.571 -11.484
  738   2HD   PRO  93          HD3       PRO  93  14.216 -15.888 -11.912
  739    H    ILE  94           H        ILE  94  10.196 -18.333  -8.708
  740    HA   ILE  94           HA       ILE  94   7.845 -16.549  -9.153
  741    HB   ILE  94           HB       ILE  94   8.220 -19.517  -9.646
  742   1HG1  ILE  94          HG12      ILE  94   8.171 -17.226 -11.374
  743   2HG1  ILE  94          HG13      ILE  94   8.422 -18.895 -11.770
  744   1HG2  ILE  94          HG21      ILE  94   6.169 -19.389  -8.342
  745   2HG2  ILE  94          HG22      ILE  94   5.547 -18.062  -9.352
  746   3HG2  ILE  94          HG23      ILE  94   5.746 -19.699 -10.015
  747   1HD1  ILE  94          HD11      ILE  94   6.247 -19.228 -12.502
  748   2HD1  ILE  94          HD12      ILE  94   5.610 -17.816 -11.593
  749   3HD1  ILE  94          HD13      ILE  94   6.617 -17.544 -12.974
  750    H    PHE  95           H        PHE  95   6.504 -16.324  -7.459
  751    HA   PHE  95           HA       PHE  95   7.110 -17.685  -4.885
  752   1HB   PHE  95          HB2       PHE  95   6.012 -14.921  -5.561
  753   2HB   PHE  95          HB3       PHE  95   5.875 -15.630  -3.974
  754    HD1  PHE  95           HD1      PHE  95   7.712 -15.745  -2.438
  755    HD2  PHE  95           HD2      PHE  95   8.254 -14.115  -6.408
  756    HE1  PHE  95           HE1      PHE  95   9.870 -14.786  -1.743
  757    HE2  PHE  95           HE2      PHE  95  10.418 -13.159  -5.701
  758    HZ   PHE  95           HZ       PHE  95  11.237 -13.488  -3.374
  759    H    VAL  96           H        VAL  96   5.663 -19.461  -5.093
  760    HA   VAL  96           HA       VAL  96   2.876 -19.166  -5.742
  761    HB   VAL  96           HB       VAL  96   4.365 -21.293  -4.148
  762   1HG1  VAL  96          HG11      VAL  96   2.050 -21.691  -3.740
  763   2HG1  VAL  96          HG12      VAL  96   1.618 -21.384  -5.441
  764   3HG1  VAL  96          HG13      VAL  96   2.539 -22.838  -4.977
  765   1HG2  VAL  96          HG21      VAL  96   3.756 -21.035  -7.123
  766   2HG2  VAL  96          HG22      VAL  96   5.357 -21.078  -6.365
  767   3HG2  VAL  96          HG23      VAL  96   4.356 -22.523  -6.361
  768    H    ASP  97           H        ASP  97   4.486 -17.718  -3.247
  769    HA   ASP  97           HA       ASP  97   4.004 -16.870  -1.228
  770   1HB   ASP  97          HB2       ASP  97   2.308 -15.743  -2.628
  771   2HB   ASP  97          HB3       ASP  97   1.121 -16.948  -2.163
  772    H    SER  98           H        SER  98   1.122 -17.872  -0.111
  773    HA   SER  98           HA       SER  98   1.409 -20.732   0.187
  774   1HB   SER  98          HB2       SER  98   1.233 -20.474   2.766
  775   2HB   SER  98          HB3       SER  98   2.817 -20.318   2.000
  776    HG   SER  98           HG       SER  98   2.331 -18.679   3.594
  777    H    ASP  99           H        ASP  99  -0.050 -17.691   1.372
  778    HA   ASP  99           HA       ASP  99  -2.622 -18.249   0.278
  779   1HB   ASP  99          HB2       ASP  99  -3.054 -19.702   2.068
  780   2HB   ASP  99          HB3       ASP  99  -2.398 -18.569   3.270
  781    H    HIS 100           H        HIS 100  -1.759 -16.367  -0.636
  782    HA   HIS 100           HA       HIS 100  -1.643 -14.229  -1.088
  783   1HB   HIS 100          HB2       HIS 100  -3.671 -13.086  -0.844
  784   2HB   HIS 100          HB3       HIS 100  -4.068 -14.780  -0.913
  785    HD1  HIS 100           HD1      HIS 100  -5.182 -15.823   1.385
  786    HD2  HIS 100           HD2      HIS 100  -4.057 -11.762   1.465
  787    HE1  HIS 100           HE1      HIS 100  -6.337 -14.801   3.405
  788    H    ALA 101           H        ALA 101   0.068 -14.815   1.328
  789    HA   ALA 101           HA       ALA 101  -0.274 -12.784   3.295
  790   1HB   ALA 101          HB1       ALA 101   2.263 -14.224   2.385
  791   2HB   ALA 101          HB2       ALA 101   2.110 -13.255   3.865
  792   3HB   ALA 101          HB3       ALA 101   1.157 -14.745   3.675
  793    H    LEU 102           H        LEU 102   1.825 -12.805   0.355
  794    HA   LEU 102           HA       LEU 102   2.876 -10.147   0.769
  795   1HB   LEU 102          HB2       LEU 102   3.673 -12.076  -0.810
  796   2HB   LEU 102          HB3       LEU 102   2.467 -11.471  -1.928
  797    HG   LEU 102           HG       LEU 102   5.024 -10.114  -0.947
  798   1HD1  LEU 102          HD11      LEU 102   3.962 -10.874  -3.703
  799   2HD1  LEU 102          HD12      LEU 102   5.522 -10.110  -3.373
  800   3HD1  LEU 102          HD13      LEU 102   5.202 -11.748  -2.780
  801   1HD2  LEU 102          HD21      LEU 102   2.808  -8.781  -2.538
  802   2HD2  LEU 102          HD22      LEU 102   3.531  -8.240  -1.002
  803   3HD2  LEU 102          HD23      LEU 102   4.477  -8.200  -2.480
  804    H    THR 103           H        THR 103  -0.110 -11.462  -0.704
  805    HA   THR 103           HA       THR 103  -0.887  -9.192  -2.186
  806    HB   THR 103           HB       THR 103  -2.792 -11.099  -0.817
  807    HG1  THR 103           HG1      THR 103  -2.252 -12.468  -2.760
  808   1HG2  THR 103          HG21      THR 103  -4.089 -10.914  -2.766
  809   2HG2  THR 103          HG22      THR 103  -3.564  -9.274  -2.337
  810   3HG2  THR 103          HG23      THR 103  -2.761 -10.146  -3.667
  811    H    ASP 104           H        ASP 104  -1.358 -10.185   1.233
  812    HA   ASP 104           HA       ASP 104  -3.162  -7.930   1.801
  813   1HB   ASP 104          HB2       ASP 104  -3.480 -10.083   2.933
  814   2HB   ASP 104          HB3       ASP 104  -1.816 -10.080   3.511
  815    H    ALA 105           H        ALA 105   0.249  -8.538   1.738
  816    HA   ALA 105           HA       ALA 105   0.999  -6.668   3.824
  817   1HB   ALA 105          HB1       ALA 105   3.281  -7.003   3.027
  818   2HB   ALA 105          HB2       ALA 105   2.487  -8.592   2.981
  819   3HB   ALA 105          HB3       ALA 105   2.724  -7.642   1.483
  820    H    PHE 106           H        PHE 106   0.424  -6.573   0.380
  821    HA   PHE 106           HA       PHE 106   0.954  -3.662   0.390
  822   1HB   PHE 106          HB2       PHE 106   2.382  -3.790  -1.253
  823   2HB   PHE 106          HB3       PHE 106   2.763  -5.255  -0.449
  824    HD1  PHE 106           HD1      PHE 106   3.699  -4.454  -3.103
  825    HD2  PHE 106           HD2      PHE 106   0.239  -6.771  -1.961
  826    HE1  PHE 106           HE1      PHE 106   3.742  -5.594  -5.295
  827    HE2  PHE 106           HE2      PHE 106   0.301  -7.910  -4.171
  828    HZ   PHE 106           HZ       PHE 106   2.027  -7.298  -5.839
  829    H    GLU 107           H        GLU 107  -1.468  -5.328   0.604
  830    HA   GLU 107           HA       GLU 107  -3.520  -5.681  -0.244
  831   1HB   GLU 107          HB2       GLU 107  -3.265  -2.684  -0.189
  832   2HB   GLU 107          HB3       GLU 107  -4.816  -3.561  -0.382
  833   1HG   GLU 107          HG2       GLU 107  -4.397  -4.718   1.782
  834   2HG   GLU 107          HG3       GLU 107  -2.894  -3.816   1.986
  835    H    ASN 108           H        ASN 108  -2.130  -6.458  -2.302
  836    HA   ASN 108           HA       ASN 108  -2.981  -5.272  -4.802
  837   1HB   ASN 108          HB2       ASN 108  -1.260  -6.804  -4.962
  838   2HB   ASN 108          HB3       ASN 108  -2.016  -7.989  -3.884
  839   1HD2  ASN 108          HD22      ASN 108  -1.814  -6.734  -7.159
  840   2HD2  ASN 108          HD21      ASN 108  -2.795  -8.026  -7.889
  841    H    GLU 109           H        GLU 109  -4.896  -5.619  -5.910
  842    HA   GLU 109           HA       GLU 109  -6.987  -7.290  -4.598
  843   1HB   GLU 109          HB2       GLU 109  -7.206  -4.392  -5.510
  844   2HB   GLU 109          HB3       GLU 109  -8.582  -5.414  -5.094
  845   1HG   GLU 109          HG2       GLU 109  -7.616  -5.735  -2.793
  846   2HG   GLU 109          HG3       GLU 109  -6.375  -4.544  -3.150
  847    H    TYR 110           H        TYR 110  -5.140  -7.228  -7.264
  848    HA   TYR 110           HA       TYR 110  -7.310  -8.281  -9.011
  849   1HB   TYR 110          HB2       TYR 110  -5.277  -6.166  -9.863
  850   2HB   TYR 110          HB3       TYR 110  -6.346  -7.042 -10.947
  851    HD1  TYR 110           HD1      TYR 110  -8.730  -6.553 -11.060
  852    HD2  TYR 110           HD2      TYR 110  -6.155  -4.469  -8.316
  853    HE1  TYR 110           HE1      TYR 110 -10.499  -4.823 -10.734
  854    HE2  TYR 110           HE2      TYR 110  -7.900  -2.723  -7.973
  855    HH   TYR 110           HH       TYR 110 -10.046  -2.006  -8.540
  856    H    VAL 111           H        VAL 111  -6.478  -9.984 -10.413
  857    HA   VAL 111           HA       VAL 111  -3.878 -10.852  -9.354
  858    HB   VAL 111           HB       VAL 111  -5.775 -12.497 -11.015
  859   1HG1  VAL 111          HG11      VAL 111  -4.228 -14.321 -10.119
  860   2HG1  VAL 111          HG12      VAL 111  -3.462 -13.245 -11.300
  861   3HG1  VAL 111          HG13      VAL 111  -3.113 -13.021  -9.589
  862   1HG2  VAL 111          HG21      VAL 111  -5.149 -12.256  -8.028
  863   2HG2  VAL 111          HG22      VAL 111  -6.705 -11.935  -8.810
  864   3HG2  VAL 111          HG23      VAL 111  -6.089 -13.594  -8.745
  865    HA   PRO 112           HA       PRO 112  -2.178 -10.575 -13.698
  866   1HB   PRO 112          HB2       PRO 112  -3.515  -9.348 -15.751
  867   2HB   PRO 112          HB3       PRO 112  -3.615 -11.102 -15.399
  868   1HG   PRO 112          HG2       PRO 112  -5.556  -8.929 -14.536
  869   2HG   PRO 112          HG3       PRO 112  -5.933 -10.506 -15.297
  870   1HD   PRO 112          HD2       PRO 112  -6.093 -10.153 -12.611
  871   2HD   PRO 112          HD3       PRO 112  -5.489 -11.687 -13.315
  872    H    ALA 113           H        ALA 113  -1.277  -9.239 -12.054
  873    HA   ALA 113           HA       ALA 113  -1.599  -6.284 -12.449
  874   1HB   ALA 113          HB1       ALA 113  -1.612  -6.081  -9.965
  875   2HB   ALA 113          HB2       ALA 113  -3.018  -6.972 -10.581
  876   3HB   ALA 113          HB3       ALA 113  -1.669  -7.860  -9.842
  877    H    TYR 114           H        TYR 114   0.236  -5.023 -11.861
  878    HA   TYR 114           HA       TYR 114   2.761  -6.562 -11.566
  879   1HB   TYR 114          HB2       TYR 114   2.935  -4.502 -13.617
  880   2HB   TYR 114          HB3       TYR 114   3.417  -6.187 -13.677
  881    HD1  TYR 114           HD1      TYR 114   1.644  -7.961 -14.277
  882    HD2  TYR 114           HD2      TYR 114   0.967  -3.725 -14.723
  883    HE1  TYR 114           HE1      TYR 114  -0.346  -8.428 -15.679
  884    HE2  TYR 114           HE2      TYR 114  -1.009  -4.186 -16.154
  885    HH   TYR 114           HH       TYR 114  -2.351  -5.801 -17.080
  886    H    TYR 115           H        TYR 115   4.430  -5.423 -10.679
  887    HA   TYR 115           HA       TYR 115   3.935  -2.652  -9.704
  888   1HB   TYR 115          HB2       TYR 115   4.798  -5.057  -8.034
  889   2HB   TYR 115          HB3       TYR 115   4.700  -3.398  -7.478
  890    HD1  TYR 115           HD1      TYR 115   2.613  -6.238  -8.803
  891    HD2  TYR 115           HD2      TYR 115   2.701  -2.633  -6.429
  892    HE1  TYR 115           HE1      TYR 115   0.239  -6.583  -8.197
  893    HE2  TYR 115           HE2      TYR 115   0.346  -3.058  -5.722
  894    HH   TYR 115           HH       TYR 115  -1.569  -4.202  -6.213
  895    H    VAL 116           H        VAL 116   5.684  -1.488 -10.320
  896    HA   VAL 116           HA       VAL 116   8.127  -2.957 -11.176
  897    HB   VAL 116           HB       VAL 116   7.407  -0.226 -12.229
  898   1HG1  VAL 116          HG11      VAL 116   8.622  -2.699 -13.540
  899   2HG1  VAL 116          HG12      VAL 116   8.513  -1.071 -14.244
  900   3HG1  VAL 116          HG13      VAL 116   9.540  -1.354 -12.830
  901   1HG2  VAL 116          HG21      VAL 116   5.248  -1.258 -12.596
  902   2HG2  VAL 116          HG22      VAL 116   6.111  -1.183 -14.128
  903   3HG2  VAL 116          HG23      VAL 116   6.000  -2.722 -13.253
  904    H    PHE 117           H        PHE 117  10.053  -2.301 -10.255
  905    HA   PHE 117           HA       PHE 117  10.008   0.008  -8.375
  906   1HB   PHE 117          HB2       PHE 117  11.244  -2.750  -7.991
  907   2HB   PHE 117          HB3       PHE 117  11.395  -1.397  -6.890
  908    HD1  PHE 117           HD1      PHE 117   8.937  -3.821  -8.345
  909    HD2  PHE 117           HD2      PHE 117   9.713  -0.961  -5.214
  910    HE1  PHE 117           HE1      PHE 117   6.962  -4.626  -7.114
  911    HE2  PHE 117           HE2      PHE 117   7.707  -1.726  -4.015
  912    HZ   PHE 117           HZ       PHE 117   6.327  -3.593  -4.937
  913    H    ASP 118           H        ASP 118  11.926   1.106  -8.168
  914    HA   ASP 118           HA       ASP 118  13.694   1.248 -10.428
  915   1HB   ASP 118          HB2       ASP 118  12.934   2.988  -8.548
  916   2HB   ASP 118          HB3       ASP 118  14.360   2.396  -7.710
  917    H    LYS 119           H        LYS 119  16.215   1.234  -9.941
  918    HA   LYS 119           HA       LYS 119  16.979  -1.466  -9.243
  919   1HB   LYS 119          HB2       LYS 119  19.310  -0.600  -9.526
  920   2HB   LYS 119          HB3       LYS 119  18.279  -0.374 -10.924
  921   1HG   LYS 119          HG2       LYS 119  18.260   1.900 -10.775
  922   2HG   LYS 119          HG3       LYS 119  18.374   1.941  -9.017
  923   1HD   LYS 119          HD2       LYS 119  20.750   1.101 -10.737
  924   2HD   LYS 119          HD3       LYS 119  20.368   2.794 -10.376
  925   1HE   LYS 119          HE2       LYS 119  20.396   2.316  -7.943
  926   2HE   LYS 119          HE3       LYS 119  20.835   0.636  -8.255
  927   1HZ   LYS 119          HZ1       LYS 119  22.457   2.991  -9.075
  928   2HZ   LYS 119          HZ2       LYS 119  22.741   2.083  -7.733
  929   3HZ   LYS 119          HZ3       LYS 119  22.911   1.417  -9.208
  930    H    THR 120           H        THR 120  16.176   0.991  -7.178
  931    HA   THR 120           HA       THR 120  17.826  -0.130  -4.996
  932    HB   THR 120           HB       THR 120  18.478   2.084  -5.449
  933    HG1  THR 120           HG1      THR 120  16.998   1.730  -3.095
  934   1HG2  THR 120          HG21      THR 120  16.851   3.989  -5.072
  935   2HG2  THR 120          HG22      THR 120  16.676   3.065  -6.573
  936   3HG2  THR 120          HG23      THR 120  15.552   2.776  -5.232
  937    H    GLY 121           H        GLY 121  15.021  -0.880  -6.269
  938   1HA   GLY 121          HA2       GLY 121  13.367  -2.154  -5.396
  939   2HA   GLY 121          HA3       GLY 121  14.117  -1.990  -3.802
  940    H    GLN 122           H        GLN 122  13.147   0.927  -5.514
  941    HA   GLN 122           HA       GLN 122  10.968   1.305  -3.525
  942   1HB   GLN 122          HB2       GLN 122  12.447   3.436  -5.109
  943   2HB   GLN 122          HB3       GLN 122  11.263   3.676  -3.820
  944   1HG   GLN 122          HG2       GLN 122  14.084   2.583  -3.561
  945   2HG   GLN 122          HG3       GLN 122  13.467   4.097  -2.927
  946   1HE2  GLN 122          HE22      GLN 122  14.221   0.899  -2.130
  947   2HE2  GLN 122          HE21      GLN 122  13.293   0.776  -0.648
  948    H    LEU 123           H        LEU 123   8.909   1.652  -4.297
  949    HA   LEU 123           HA       LEU 123   8.348   0.607  -6.832
  950   1HB   LEU 123          HB2       LEU 123   6.780   0.635  -4.832
  951   2HB   LEU 123          HB3       LEU 123   6.472   2.343  -5.170
  952    HG   LEU 123           HG       LEU 123   5.802   1.605  -7.547
  953   1HD1  LEU 123          HD11      LEU 123   5.534  -1.120  -6.174
  954   2HD1  LEU 123          HD12      LEU 123   5.106  -0.735  -7.847
  955   3HD1  LEU 123          HD13      LEU 123   6.800  -0.765  -7.337
  956   1HD2  LEU 123          HD21      LEU 123   4.153   2.278  -5.844
  957   2HD2  LEU 123          HD22      LEU 123   3.541   1.047  -6.958
  958   3HD2  LEU 123          HD23      LEU 123   4.037   0.595  -5.320
  959    H    ARG 124           H        ARG 124   8.357   1.424  -8.819
  960    HA   ARG 124           HA       ARG 124   8.472   4.357  -9.276
  961   1HB   ARG 124          HB2       ARG 124   8.953   1.848 -10.937
  962   2HB   ARG 124          HB3       ARG 124   8.577   3.357 -11.750
  963   1HG   ARG 124          HG2       ARG 124  10.829   3.173  -9.707
  964   2HG   ARG 124          HG3       ARG 124  11.055   2.776 -11.417
  965   1HD   ARG 124          HD2       ARG 124  10.151   5.021 -12.040
  966   2HD   ARG 124          HD3       ARG 124  10.097   5.460 -10.324
  967    HE   ARG 124           HE       ARG 124  12.681   4.742 -10.536
  968   1HH1  ARG 124          HH21      ARG 124  10.765   6.829 -12.664
  969   2HH1  ARG 124          HH22      ARG 124  12.116   7.707 -13.279
  970   1HH2  ARG 124          HH11      ARG 124  14.396   5.888 -11.137
  971   2HH2  ARG 124          HH12      ARG 124  14.313   7.190 -12.306
  972    H    HIS 125           H        HIS 125   6.417   1.464 -10.102
  973    HA   HIS 125           HA       HIS 125   4.062   3.176 -10.444
  974   1HB   HIS 125          HB2       HIS 125   5.404   3.418 -12.571
  975   2HB   HIS 125          HB3       HIS 125   5.382   1.667 -12.758
  976    HD1  HIS 125           HD1      HIS 125   2.824   4.612 -12.664
  977    HD2  HIS 125           HD2      HIS 125   3.353   0.669 -14.043
  978    HE1  HIS 125           HE1      HIS 125   0.857   4.126 -14.199
  979    H    PHE 126           H        PHE 126   2.132   1.771 -10.917
  980    HA   PHE 126           HA       PHE 126   2.511  -1.092 -10.935
  981   1HB   PHE 126          HB2       PHE 126   2.080  -1.476  -8.787
  982   2HB   PHE 126          HB3       PHE 126   1.774   0.213  -8.441
  983    HD1  PHE 126           HD1      PHE 126  -0.500   1.103  -8.315
  984    HD2  PHE 126           HD2      PHE 126   0.200  -3.023  -9.367
  985    HE1  PHE 126           HE1      PHE 126  -2.913   0.609  -8.009
  986    HE2  PHE 126           HE2      PHE 126  -2.209  -3.507  -9.076
  987    HZ   PHE 126           HZ       PHE 126  -3.776  -1.694  -8.395
  988    H    GLN 127           H        GLN 127   0.598  -2.156 -11.719
  989    HA   GLN 127           HA       GLN 127  -1.767  -0.637 -12.397
  990   1HB   GLN 127          HB2       GLN 127   0.240  -0.520 -14.340
  991   2HB   GLN 127          HB3       GLN 127  -0.631  -2.003 -14.771
  992   1HG   GLN 127          HG2       GLN 127  -1.377   0.025 -16.011
  993   2HG   GLN 127          HG3       GLN 127  -2.667  -0.816 -15.166
  994   1HE2  GLN 127          HE22      GLN 127  -0.275   1.867 -14.439
  995   2HE2  GLN 127          HE21      GLN 127  -1.484   2.898 -13.716
  996    H    ALA 128           H        ALA 128  -3.171  -2.204 -13.905
  997    HA   ALA 128           HA       ALA 128  -2.533  -5.008 -13.795
  998   1HB   ALA 128          HB1       ALA 128  -4.584  -5.596 -12.514
  999   2HB   ALA 128          HB2       ALA 128  -3.451  -4.611 -11.547
 1000   3HB   ALA 128          HB3       ALA 128  -4.891  -3.853 -12.255
 1001    H    GLY 129           H        GLY 129  -4.036  -6.226 -15.109
 1002   1HA   GLY 129          HA2       GLY 129  -5.304  -6.554 -17.004
 1003   2HA   GLY 129          HA3       GLY 129  -6.187  -5.070 -16.624
 1004    H    GLY 130           H        GLY 130  -6.127  -4.922 -19.056
 1005   1HA   GLY 130          HA2       GLY 130  -5.286  -2.834 -20.175
 1006   2HA   GLY 130          HA3       GLY 130  -3.673  -3.545 -20.072
 1007    H    SER 131           H        SER 131  -4.784  -2.827 -22.555
 1008    HA   SER 131           HA       SER 131  -6.044  -4.894 -23.999
 1009   1HB   SER 131          HB2       SER 131  -4.067  -2.820 -25.030
 1010   2HB   SER 131          HB3       SER 131  -5.333  -3.651 -25.953
 1011    HG   SER 131           HG       SER 131  -5.964  -1.544 -25.291
 1012    H    GLY 132           H        GLY 132  -5.238  -6.952 -23.862
 1013   1HA   GLY 132          HA2       GLY 132  -3.804  -8.728 -23.803
 1014   2HA   GLY 132          HA3       GLY 132  -2.852  -7.906 -25.051
 1015    H    MET 133           H        MET 133  -3.446  -6.427 -21.934
 1016    HA   MET 133           HA       MET 133  -2.035  -5.186 -20.726
 1017   1HB   MET 133          HB2       MET 133  -0.727  -6.483 -19.126
 1018   2HB   MET 133          HB3       MET 133  -2.378  -7.061 -19.326
 1019   1HG   MET 133          HG2       MET 133  -1.714  -8.980 -20.521
 1020   2HG   MET 133          HG3       MET 133  -0.088  -8.367 -20.807
 1021   1HE   MET 133          HE1       MET 133   1.927  -8.855 -19.420
 1022   2HE   MET 133          HE2       MET 133   1.330  -7.486 -18.458
 1023   3HE   MET 133          HE3       MET 133   1.879  -8.975 -17.650
 1024    H    LYS 134           H        LYS 134  -1.021  -5.325 -23.542
 1025    HA   LYS 134           HA       LYS 134   1.796  -5.772 -23.457
 1026   1HB   LYS 134          HB2       LYS 134   0.423  -5.845 -25.516
 1027   2HB   LYS 134          HB3       LYS 134   0.236  -4.082 -25.450
 1028   1HG   LYS 134          HG2       LYS 134   2.658  -3.774 -25.708
 1029   2HG   LYS 134          HG3       LYS 134   2.931  -5.522 -25.573
 1030   1HD   LYS 134          HD2       LYS 134   1.754  -5.888 -27.706
 1031   2HD   LYS 134          HD3       LYS 134   1.324  -4.176 -27.781
 1032   1HE   LYS 134          HE2       LYS 134   3.176  -4.526 -29.259
 1033   2HE   LYS 134          HE3       LYS 134   3.736  -3.562 -27.889
 1034   1HZ   LYS 134          HZ1       LYS 134   5.233  -5.388 -28.607
 1035   2HZ   LYS 134          HZ2       LYS 134   4.899  -5.432 -27.024
 1036   3HZ   LYS 134          HZ3       LYS 134   4.159  -6.486 -28.066
 1037    H    MET 135           H        MET 135  -0.091  -2.937 -22.592
 1038    HA   MET 135           HA       MET 135   1.951  -0.992 -22.682
 1039   1HB   MET 135          HB2       MET 135   0.592   0.026 -20.701
 1040   2HB   MET 135          HB3       MET 135  -0.104  -0.061 -22.306
 1041   1HG   MET 135          HG2       MET 135  -1.701  -0.631 -20.507
 1042   2HG   MET 135          HG3       MET 135  -1.543  -1.848 -21.754
 1043   1HE   MET 135          HE1       MET 135  -0.821  -0.894 -18.024
 1044   2HE   MET 135          HE2       MET 135   0.051  -2.323 -17.419
 1045   3HE   MET 135          HE3       MET 135   0.831  -1.235 -18.581
 1046    H    LEU 136           H        LEU 136   1.703  -3.730 -20.461
 1047    HA   LEU 136           HA       LEU 136   3.285  -2.643 -18.363
 1048   1HB   LEU 136          HB2       LEU 136   2.089  -4.759 -18.108
 1049   2HB   LEU 136          HB3       LEU 136   3.044  -5.494 -19.399
 1050    HG   LEU 136           HG       LEU 136   5.110  -5.291 -18.037
 1051   1HD1  LEU 136          HD11      LEU 136   3.249  -4.091 -15.941
 1052   2HD1  LEU 136          HD12      LEU 136   4.892  -4.687 -15.608
 1053   3HD1  LEU 136          HD13      LEU 136   4.659  -3.315 -16.679
 1054   1HD2  LEU 136          HD21      LEU 136   3.823  -7.324 -17.909
 1055   2HD2  LEU 136          HD22      LEU 136   4.490  -6.960 -16.311
 1056   3HD2  LEU 136          HD23      LEU 136   2.778  -6.640 -16.656
 1057    H    GLU 137           H        GLU 137   4.171  -4.226 -21.459
 1058    HA   GLU 137           HA       GLU 137   6.949  -4.371 -21.136
 1059   1HB   GLU 137          HB2       GLU 137   5.349  -5.180 -23.045
 1060   2HB   GLU 137          HB3       GLU 137   5.565  -3.543 -23.727
 1061   1HG   GLU 137          HG2       GLU 137   7.939  -3.896 -23.962
 1062   2HG   GLU 137          HG3       GLU 137   7.881  -5.385 -23.004
 1063    H    LYS 138           H        LYS 138   4.860  -1.625 -21.991
 1064    HA   LYS 138           HA       LYS 138   7.130   0.163 -22.479
 1065   1HB   LYS 138          HB2       LYS 138   4.128   0.545 -22.399
 1066   2HB   LYS 138          HB3       LYS 138   5.245   1.926 -22.433
 1067   1HG   LYS 138          HG2       LYS 138   6.307   1.175 -24.435
 1068   2HG   LYS 138          HG3       LYS 138   5.456  -0.399 -24.396
 1069   1HD   LYS 138          HD2       LYS 138   4.456   0.997 -26.089
 1070   2HD   LYS 138          HD3       LYS 138   3.300   0.763 -24.768
 1071   1HE   LYS 138          HE2       LYS 138   3.862   3.015 -23.875
 1072   2HE   LYS 138          HE3       LYS 138   5.063   3.231 -25.156
 1073   1HZ   LYS 138          HZ1       LYS 138   2.144   2.934 -25.591
 1074   2HZ   LYS 138          HZ2       LYS 138   2.984   4.325 -25.698
 1075   3HZ   LYS 138          HZ3       LYS 138   3.257   3.136 -26.774
 1076    H    ARG 139           H        ARG 139   4.916  -0.445 -19.679
 1077    HA   ARG 139           HA       ARG 139   5.969   1.808 -18.209
 1078   1HB   ARG 139          HB2       ARG 139   4.927  -0.793 -16.991
 1079   2HB   ARG 139          HB3       ARG 139   5.078   0.767 -16.199
 1080   1HG   ARG 139          HG2       ARG 139   3.061  -0.072 -18.297
 1081   2HG   ARG 139          HG3       ARG 139   2.759   0.384 -16.641
 1082   1HD   ARG 139          HD2       ARG 139   3.730   2.250 -18.848
 1083   2HD   ARG 139          HD3       ARG 139   2.075   2.134 -18.248
 1084    HE   ARG 139           HE       ARG 139   3.004   2.747 -15.986
 1085   1HH1  ARG 139          HH21      ARG 139   4.247   4.133 -19.010
 1086   2HH1  ARG 139          HH22      ARG 139   4.980   5.495 -18.248
 1087   1HH2  ARG 139          HH11      ARG 139   4.031   4.512 -14.970
 1088   2HH2  ARG 139          HH12      ARG 139   4.829   5.729 -15.897
 1089    H    VAL 140           H        VAL 140   7.016  -1.588 -18.493
 1090    HA   VAL 140           HA       VAL 140   9.177  -1.486 -16.598
 1091    HB   VAL 140           HB       VAL 140   8.706  -3.076 -19.156
 1092   1HG1  VAL 140          HG11      VAL 140  10.373  -4.675 -18.378
 1093   2HG1  VAL 140          HG12      VAL 140  11.102  -3.106 -18.710
 1094   3HG1  VAL 140          HG13      VAL 140  10.803  -3.595 -17.026
 1095   1HG2  VAL 140          HG21      VAL 140   8.049  -4.922 -17.666
 1096   2HG2  VAL 140          HG22      VAL 140   8.483  -3.968 -16.226
 1097   3HG2  VAL 140          HG23      VAL 140   7.089  -3.514 -17.207
 1098    H    ASN 141           H        ASN 141   8.913  -0.973 -20.191
 1099    HA   ASN 141           HA       ASN 141  11.623  -0.458 -20.393
 1100   1HB   ASN 141          HB2       ASN 141   9.320   0.047 -22.234
 1101   2HB   ASN 141          HB3       ASN 141  10.754   1.015 -22.529
 1102   1HD2  ASN 141          HD22      ASN 141   9.604  -2.350 -22.302
 1103   2HD2  ASN 141          HD21      ASN 141  10.981  -3.026 -23.178
 1104    H    ARG 142           H        ARG 142   9.032   1.792 -19.519
 1105    HA   ARG 142           HA       ARG 142  10.619   4.183 -19.819
 1106   1HB   ARG 142          HB2       ARG 142   8.150   3.570 -18.173
 1107   2HB   ARG 142          HB3       ARG 142   8.859   5.163 -18.328
 1108   1HG   ARG 142          HG2       ARG 142   6.883   4.015 -19.912
 1109   2HG   ARG 142          HG3       ARG 142   7.674   5.570 -20.122
 1110   1HD   ARG 142          HD2       ARG 142   8.574   3.021 -21.504
 1111   2HD   ARG 142          HD3       ARG 142   7.440   4.155 -22.181
 1112    HE   ARG 142           HE       ARG 142   9.564   5.766 -21.517
 1113   1HH1  ARG 142          HH21      ARG 142   9.149   2.931 -23.603
 1114   2HH1  ARG 142          HH22      ARG 142  10.500   3.292 -24.613
 1115   1HH2  ARG 142          HH11      ARG 142  11.354   6.270 -22.878
 1116   2HH2  ARG 142          HH12      ARG 142  11.767   5.244 -24.195
 1117    H    VAL 143           H        VAL 143  10.194   1.874 -17.087
 1118    HA   VAL 143           HA       VAL 143  11.882   3.451 -15.347
 1119    HB   VAL 143           HB       VAL 143  11.256   0.478 -15.339
 1120   1HG1  VAL 143          HG11      VAL 143  13.313   0.890 -14.089
 1121   2HG1  VAL 143          HG12      VAL 143  12.558   2.232 -13.212
 1122   3HG1  VAL 143          HG13      VAL 143  11.994   0.559 -12.959
 1123   1HG2  VAL 143          HG21      VAL 143   9.721   1.121 -13.458
 1124   2HG2  VAL 143          HG22      VAL 143  10.076   2.831 -13.791
 1125   3HG2  VAL 143          HG23      VAL 143   9.237   1.838 -14.994
 1126    H    LEU 144           H        LEU 144  12.544   1.027 -17.929
 1127    HA   LEU 144           HA       LEU 144  15.355   0.750 -17.270
 1128   1HB   LEU 144          HB2       LEU 144  14.073   0.456 -20.026
 1129   2HB   LEU 144          HB3       LEU 144  15.668  -0.087 -19.546
 1130    HG   LEU 144           HG       LEU 144  13.019  -1.207 -18.586
 1131   1HD1  LEU 144          HD11      LEU 144  13.690  -1.821 -20.876
 1132   2HD1  LEU 144          HD12      LEU 144  15.232  -2.445 -20.254
 1133   3HD1  LEU 144          HD13      LEU 144  13.698  -3.212 -19.779
 1134   1HD2  LEU 144          HD21      LEU 144  15.834  -2.004 -17.759
 1135   2HD2  LEU 144          HD22      LEU 144  14.573  -1.284 -16.730
 1136   3HD2  LEU 144          HD23      LEU 144  14.340  -2.899 -17.386
 1137    H    ALA 145           H        ALA 145  13.509   2.866 -19.377
 1138    HA   ALA 145           HA       ALA 145  15.604   4.293 -20.574
 1139   1HB   ALA 145          HB1       ALA 145  12.777   5.237 -19.923
 1140   2HB   ALA 145          HB2       ALA 145  13.849   5.916 -21.162
 1141   3HB   ALA 145          HB3       ALA 145  13.225   4.260 -21.334
 1142    H    GLU 146           H        GLU 146  14.450   4.473 -17.312
 1143    HA   GLU 146           HA       GLU 146  15.727   7.132 -16.851
 1144   1HB   GLU 146          HB2       GLU 146  13.454   5.632 -15.512
 1145   2HB   GLU 146          HB3       GLU 146  14.211   7.079 -14.825
 1146   1HG   GLU 146          HG2       GLU 146  13.691   8.286 -17.015
 1147   2HG   GLU 146          HG3       GLU 146  12.711   6.892 -17.478
 1148    H    THR 147           H        THR 147  15.998   3.777 -16.117
 1149    HA   THR 147           HA       THR 147  17.447   3.815 -13.674
 1150    HB   THR 147           HB       THR 147  17.631   1.995 -16.115
 1151    HG1  THR 147           HG1      THR 147  15.569   2.148 -15.054
 1152   1HG2  THR 147          HG21      THR 147  18.478   0.264 -14.600
 1153   2HG2  THR 147          HG22      THR 147  19.595   1.619 -14.652
 1154   3HG2  THR 147          HG23      THR 147  18.516   1.425 -13.250
 1155    H    GLU 148           H        GLU 148  19.706   3.929 -13.269
 1156    HA   GLU 148           HA       GLU 148  21.170   5.932 -14.586
 1157   1HB   GLU 148          HB2       GLU 148  22.140   3.671 -12.782
 1158   2HB   GLU 148          HB3       GLU 148  23.112   5.056 -13.286
 1159   1HG   GLU 148          HG2       GLU 148  21.418   6.581 -12.220
 1160   2HG   GLU 148          HG3       GLU 148  20.586   5.156 -11.590
  Start of MODEL    8
    1   1H    MET   1           H1       MET   1  -0.832  -0.007  -0.840
    2   2H    MET   1           H2       MET   1  -1.167  -0.109  -2.434
    3   3H    MET   1           H3       MET   1  -0.459  -1.382  -1.664
    4    HA   MET   1           HA       MET   1   1.520  -0.062  -1.232
    5   1HB   MET   1          HB2       MET   1   0.668  -0.334  -4.149
    6   2HB   MET   1          HB3       MET   1   2.247   0.251  -3.651
    7   1HG   MET   1          HG2       MET   1   2.073  -2.031  -2.128
    8   2HG   MET   1          HG3       MET   1   1.170  -2.493  -3.572
    9   1HE   MET   1          HE1       MET   1   5.669  -1.555  -3.258
   10   2HE   MET   1          HE2       MET   1   4.402  -0.454  -2.652
   11   3HE   MET   1          HE3       MET   1   4.581  -2.077  -1.955
   12    H    LYS   2           H        LYS   2   2.785   1.820  -1.775
   13    HA   LYS   2           HA       LYS   2   1.321   4.269  -2.655
   14   1HB   LYS   2          HB2       LYS   2   3.351   3.910  -0.398
   15   2HB   LYS   2          HB3       LYS   2   2.794   5.482  -1.006
   16   1HG   LYS   2          HG2       LYS   2   0.450   4.837  -0.419
   17   2HG   LYS   2          HG3       LYS   2   1.067   3.350   0.324
   18   1HD   LYS   2          HD2       LYS   2   1.778   6.189   1.191
   19   2HD   LYS   2          HD3       LYS   2   0.590   5.139   1.978
   20   1HE   LYS   2          HE2       LYS   2   2.387   3.468   2.446
   21   2HE   LYS   2          HE3       LYS   2   3.576   4.553   1.714
   22   1HZ   LYS   2          HZ1       LYS   2   1.959   5.174   4.119
   23   2HZ   LYS   2          HZ2       LYS   2   3.538   4.777   4.114
   24   3HZ   LYS   2          HZ3       LYS   2   3.055   6.180   3.441
   25    H    LEU   3           H        LEU   3   2.716   5.696  -3.901
   26    HA   LEU   3           HA       LEU   3   4.810   4.315  -5.350
   27   1HB   LEU   3          HB2       LEU   3   4.220   7.299  -5.245
   28   2HB   LEU   3          HB3       LEU   3   5.303   6.492  -6.376
   29    HG   LEU   3           HG       LEU   3   2.278   6.235  -6.219
   30   1HD1  LEU   3          HD11      LEU   3   2.358   7.137  -8.493
   31   2HD1  LEU   3          HD12      LEU   3   3.192   8.223  -7.371
   32   3HD1  LEU   3          HD13      LEU   3   4.135   7.167  -8.448
   33   1HD2  LEU   3          HD21      LEU   3   3.009   3.994  -6.713
   34   2HD2  LEU   3          HD22      LEU   3   2.487   4.720  -8.230
   35   3HD2  LEU   3          HD23      LEU   3   4.223   4.576  -7.875
   36    H    ARG   4           H        ARG   4   7.034   4.615  -5.307
   37    HA   ARG   4           HA       ARG   4   9.062   4.784  -4.459
   38   1HB   ARG   4          HB2       ARG   4   8.347   7.173  -2.808
   39   2HB   ARG   4          HB3       ARG   4   9.881   6.778  -3.583
   40   1HG   ARG   4          HG2       ARG   4   7.287   7.441  -4.934
   41   2HG   ARG   4          HG3       ARG   4   8.609   8.592  -4.707
   42   1HD   ARG   4          HD2       ARG   4   8.578   6.150  -6.523
   43   2HD   ARG   4          HD3       ARG   4   8.537   7.821  -7.020
   44    HE   ARG   4           HE       ARG   4  10.815   8.111  -6.148
   45   1HH1  ARG   4          HH11      ARG   4   9.821   4.756  -6.838
   46   2HH1  ARG   4          HH12      ARG   4  11.424   4.227  -7.198
   47   1HH2  ARG   4          HH21      ARG   4  12.888   7.443  -6.864
   48   2HH2  ARG   4          HH22      ARG   4  13.131   5.878  -7.551
   49    H    GLN   5           H        GLN   5   6.662   3.846  -2.593
   50    HA   GLN   5           HA       GLN   5   7.979   3.612  -0.000
   51   1HB   GLN   5          HB2       GLN   5   6.256   2.293   0.745
   52   2HB   GLN   5          HB3       GLN   5   5.463   3.229  -0.495
   53   1HG   GLN   5          HG2       GLN   5   5.405   1.367  -1.979
   54   2HG   GLN   5          HG3       GLN   5   6.620   0.490  -1.093
   55   1HE2  GLN   5          HE22      GLN   5   6.100  -0.948   0.446
   56   2HE2  GLN   5          HE21      GLN   5   4.459  -1.225   1.007
   57    HA   PRO   6           HA       PRO   6  10.714   0.174  -0.984
   58   1HB   PRO   6          HB2       PRO   6  10.937  -1.237   1.331
   59   2HB   PRO   6          HB3       PRO   6  11.598   0.418   1.163
   60   1HG   PRO   6          HG2       PRO   6   8.982  -0.428   2.427
   61   2HG   PRO   6          HG3       PRO   6  10.192   0.737   3.049
   62   1HD   PRO   6          HD2       PRO   6   7.909   1.435   1.653
   63   2HD   PRO   6          HD3       PRO   6   9.399   2.436   1.645
   64    H    MET   7           H        MET   7  10.608  -1.910  -1.715
   65    HA   MET   7           HA       MET   7   8.172  -3.275  -2.158
   66   1HB   MET   7          HB2       MET   7  10.397  -3.420  -3.360
   67   2HB   MET   7          HB3       MET   7  11.027  -4.369  -2.017
   68   1HG   MET   7          HG2       MET   7   9.264  -6.091  -2.458
   69   2HG   MET   7          HG3       MET   7   8.699  -5.117  -3.819
   70   1HE   MET   7          HE1       MET   7  12.137  -4.394  -4.615
   71   2HE   MET   7          HE2       MET   7  11.935  -5.309  -6.141
   72   3HE   MET   7          HE3       MET   7  10.641  -4.240  -5.573
   73    HA   PRO   8           HA       PRO   8   7.781  -5.455   1.811
   74   1HB   PRO   8          HB2       PRO   8   6.205  -7.598   1.152
   75   2HB   PRO   8          HB3       PRO   8   5.594  -5.920   1.207
   76   1HG   PRO   8          HG2       PRO   8   6.571  -7.464  -1.216
   77   2HG   PRO   8          HG3       PRO   8   5.033  -6.577  -1.017
   78   1HD   PRO   8          HD2       PRO   8   7.139  -5.391  -2.229
   79   2HD   PRO   8          HD3       PRO   8   6.112  -4.460  -1.109
   80    H    GLU   9           H        GLU   9   7.953  -7.920   2.538
   81    HA   GLU   9           HA       GLU   9  10.708  -8.536   2.119
   82   1HB   GLU   9          HB2       GLU   9   8.680 -10.158   3.697
   83   2HB   GLU   9          HB3       GLU   9  10.419 -10.050   3.991
   84   1HG   GLU   9          HG2       GLU   9   8.377  -7.822   4.329
   85   2HG   GLU   9          HG3       GLU   9   9.068  -8.778   5.633
   86    H    LEU  10           H        LEU  10   8.297  -9.304   0.342
   87    HA   LEU  10           HA       LEU  10   7.682 -10.845  -1.265
   88   1HB   LEU  10          HB2       LEU  10  10.630 -11.509  -1.415
   89   2HB   LEU  10          HB3       LEU  10   9.387 -11.845  -2.626
   90    HG   LEU  10           HG       LEU  10  10.319  -9.084  -1.763
   91   1HD1  LEU  10          HD11      LEU  10  11.955 -10.434  -3.127
   92   2HD1  LEU  10          HD12      LEU  10  10.750 -10.509  -4.420
   93   3HD1  LEU  10          HD13      LEU  10  11.431  -8.945  -3.922
   94   1HD2  LEU  10          HD21      LEU  10   7.956  -9.025  -2.439
   95   2HD2  LEU  10          HD22      LEU  10   8.951  -8.292  -3.690
   96   3HD2  LEU  10          HD23      LEU  10   8.338  -9.937  -3.920
   97    H    THR  11           H        THR  11   6.716 -11.769   0.783
   98    HA   THR  11           HA       THR  11   7.557 -14.338   1.713
   99    HB   THR  11           HB       THR  11   4.954 -14.417   2.192
  100    HG1  THR  11           HG1      THR  11   4.256 -12.747   0.920
  101   1HG2  THR  11          HG21      THR  11   5.238 -12.951   4.142
  102   2HG2  THR  11          HG22      THR  11   6.662 -13.981   3.921
  103   3HG2  THR  11          HG23      THR  11   6.726 -12.269   3.443
  104    H    GLY  12           H        GLY  12   6.673 -16.382   1.157
  105   1HA   GLY  12          HA2       GLY  12   5.171 -16.892  -1.266
  106   2HA   GLY  12          HA3       GLY  12   6.915 -17.251  -1.415
  107    H    GLU  13           H        GLU  13   4.314 -17.528   1.034
  108    HA   GLU  13           HA       GLU  13   5.682 -19.437   2.582
  109   1HB   GLU  13          HB2       GLU  13   2.748 -18.631   2.592
  110   2HB   GLU  13          HB3       GLU  13   3.545 -19.602   3.842
  111   1HG   GLU  13          HG2       GLU  13   5.222 -17.655   4.064
  112   2HG   GLU  13          HG3       GLU  13   4.074 -16.697   3.127
  113    H    LYS  14           H        LYS  14   3.956 -20.122  -0.346
  114    HA   LYS  14           HA       LYS  14   3.281 -22.874   0.434
  115   1HB   LYS  14          HB2       LYS  14   2.225 -21.512  -1.480
  116   2HB   LYS  14          HB3       LYS  14   3.675 -21.865  -2.402
  117   1HG   LYS  14          HG2       LYS  14   1.762 -23.904  -1.191
  118   2HG   LYS  14          HG3       LYS  14   1.731 -23.367  -2.860
  119   1HD   LYS  14          HD2       LYS  14   3.968 -24.965  -1.555
  120   2HD   LYS  14          HD3       LYS  14   2.726 -25.583  -2.632
  121   1HE   LYS  14          HE2       LYS  14   3.563 -24.213  -4.498
  122   2HE   LYS  14          HE3       LYS  14   4.770 -23.467  -3.451
  123   1HZ   LYS  14          HZ1       LYS  14   5.768 -25.701  -3.168
  124   2HZ   LYS  14          HZ2       LYS  14   4.659 -26.354  -4.161
  125   3HZ   LYS  14          HZ3       LYS  14   5.732 -25.278  -4.746
  126    H    ALA  15           H        ALA  15   5.728 -21.339  -1.695
  127    HA   ALA  15           HA       ALA  15   8.037 -22.001  -0.475
  128   1HB   ALA  15          HB1       ALA  15   7.682 -24.448  -0.848
  129   2HB   ALA  15          HB2       ALA  15   7.422 -24.137  -2.585
  130   3HB   ALA  15          HB3       ALA  15   9.002 -23.864  -1.841
  131    H    TRP  16           H        TRP  16   9.923 -21.871  -2.192
  132    HA   TRP  16           HA       TRP  16   9.261 -19.965  -4.361
  133   1HB   TRP  16          HB2       TRP  16  11.636 -19.936  -4.746
  134   2HB   TRP  16          HB3       TRP  16  11.334 -19.656  -3.047
  135    HD1  TRP  16           HD1      TRP  16  12.435 -21.341  -1.352
  136    HE1  TRP  16           HE1      TRP  16  14.187 -23.167  -1.604
  137    HE3  TRP  16           HE3      TRP  16  12.301 -21.849  -6.399
  138    HZ2  TRP  16           HZ2      TRP  16  15.298 -24.815  -3.754
  139    HZ3  TRP  16           HZ3      TRP  16  13.736 -23.545  -7.565
  140    HH2  TRP  16           HH2      TRP  16  15.224 -25.028  -6.238
  141    H    LEU  17           H        LEU  17   9.768 -20.569  -6.596
  142    HA   LEU  17           HA       LEU  17   9.860 -23.460  -7.229
  143   1HB   LEU  17          HB2       LEU  17   7.475 -22.869  -7.149
  144   2HB   LEU  17          HB3       LEU  17   7.791 -21.418  -8.113
  145    HG   LEU  17           HG       LEU  17   8.515 -22.857 -10.021
  146   1HD1  LEU  17          HD11      LEU  17   7.417 -25.136  -8.296
  147   2HD1  LEU  17          HD12      LEU  17   7.858 -25.259 -10.012
  148   3HD1  LEU  17          HD13      LEU  17   9.105 -24.948  -8.806
  149   1HD2  LEU  17          HD21      LEU  17   6.216 -23.537 -10.649
  150   2HD2  LEU  17          HD22      LEU  17   5.698 -23.392  -8.951
  151   3HD2  LEU  17          HD23      LEU  17   6.212 -21.955  -9.862
  152    H    ASN  18           H        ASN  18  11.048 -23.821  -8.977
  153    HA   ASN  18           HA       ASN  18  12.581 -23.577 -10.464
  154   1HB   ASN  18          HB2       ASN  18  11.914 -22.858 -12.610
  155   2HB   ASN  18          HB3       ASN  18  10.533 -23.566 -11.789
  156   1HD2  ASN  18          HD22      ASN  18  12.063 -20.344 -12.431
  157   2HD2  ASN  18          HD21      ASN  18  10.547 -19.490 -12.644
  158    H    GLY  19           H        GLY  19  12.618 -21.318  -8.409
  159   1HA   GLY  19          HA2       GLY  19  15.207 -20.585  -8.598
  160   2HA   GLY  19          HA3       GLY  19  14.382 -19.325  -9.543
  161    H    GLU  20           H        GLU  20  15.704 -19.109  -6.907
  162    HA   GLU  20           HA       GLU  20  13.481 -17.755  -5.503
  163   1HB   GLU  20          HB2       GLU  20  14.317 -18.401  -3.368
  164   2HB   GLU  20          HB3       GLU  20  13.984 -19.850  -4.329
  165   1HG   GLU  20          HG2       GLU  20  16.311 -20.215  -4.772
  166   2HG   GLU  20          HG3       GLU  20  16.762 -18.743  -3.894
  167    H    VAL  21           H        VAL  21  14.043 -15.828  -4.502
  168    HA   VAL  21           HA       VAL  21  16.714 -14.714  -4.502
  169    HB   VAL  21           HB       VAL  21  16.013 -12.739  -5.898
  170   1HG1  VAL  21          HG11      VAL  21  16.025 -15.276  -7.545
  171   2HG1  VAL  21          HG12      VAL  21  16.479 -13.645  -8.053
  172   3HG1  VAL  21          HG13      VAL  21  17.463 -14.487  -6.848
  173   1HG2  VAL  21          HG21      VAL  21  13.650 -14.488  -6.711
  174   2HG2  VAL  21          HG22      VAL  21  13.598 -12.926  -5.871
  175   3HG2  VAL  21          HG23      VAL  21  14.161 -13.005  -7.541
  176    H    THR  22           H        THR  22  16.402 -12.311  -3.801
  177    HA   THR  22           HA       THR  22  13.874 -11.672  -2.460
  178    HB   THR  22           HB       THR  22  15.218 -10.643  -0.595
  179    HG1  THR  22           HG1      THR  22  17.366 -11.140  -0.413
  180   1HG2  THR  22          HG21      THR  22  15.808 -12.695   0.592
  181   2HG2  THR  22          HG22      THR  22  14.244 -12.873  -0.241
  182   3HG2  THR  22          HG23      THR  22  15.708 -13.611  -0.935
  183    H    ARG  23           H        ARG  23  13.714  -9.269  -2.326
  184    HA   ARG  23           HA       ARG  23  14.761  -7.718  -4.434
  185   1HB   ARG  23          HB2       ARG  23  14.609  -5.937  -2.266
  186   2HB   ARG  23          HB3       ARG  23  13.461  -6.251  -3.565
  187   1HG   ARG  23          HG2       ARG  23  12.305  -6.104  -1.539
  188   2HG   ARG  23          HG3       ARG  23  12.147  -7.684  -2.236
  189   1HD   ARG  23          HD2       ARG  23  12.294  -8.110   0.040
  190   2HD   ARG  23          HD3       ARG  23  13.895  -8.504  -0.527
  191    HE   ARG  23           HE       ARG  23  14.801  -6.659   0.590
  192   1HH1  ARG  23          HH21      ARG  23  11.257  -6.436   0.873
  193   2HH1  ARG  23          HH22      ARG  23  11.304  -5.975   2.550
  194   1HH2  ARG  23          HH11      ARG  23  14.827  -5.955   2.791
  195   2HH2  ARG  23          HH12      ARG  23  13.348  -5.401   3.514
  196    H    GLU  24           H        GLU  24  16.185  -8.442  -1.228
  197    HA   GLU  24           HA       GLU  24  18.265  -6.457  -1.598
  198   1HB   GLU  24          HB2       GLU  24  17.706  -8.565   0.502
  199   2HB   GLU  24          HB3       GLU  24  19.256  -7.705   0.476
  200   1HG   GLU  24          HG2       GLU  24  18.124  -5.532   0.559
  201   2HG   GLU  24          HG3       GLU  24  16.548  -6.318   0.492
  202    H    GLN  25           H        GLN  25  18.022  -9.856  -2.572
  203    HA   GLN  25           HA       GLN  25  20.894 -10.155  -2.701
  204   1HB   GLN  25          HB2       GLN  25  18.537 -11.780  -3.640
  205   2HB   GLN  25          HB3       GLN  25  20.145 -12.151  -4.273
  206   1HG   GLN  25          HG2       GLN  25  21.067 -12.507  -2.074
  207   2HG   GLN  25          HG3       GLN  25  19.587 -11.948  -1.291
  208   1HE2  GLN  25          HE22      GLN  25  17.584 -13.170  -1.787
  209   2HE2  GLN  25          HE21      GLN  25  17.699 -14.928  -1.952
  210    H    LEU  26           H        LEU  26  18.403  -9.076  -4.988
  211    HA   LEU  26           HA       LEU  26  20.526  -8.816  -7.074
  212   1HB   LEU  26          HB2       LEU  26  18.708  -9.200  -8.723
  213   2HB   LEU  26          HB3       LEU  26  19.230 -10.554  -7.744
  214    HG   LEU  26           HG       LEU  26  17.246 -10.571  -6.452
  215   1HD1  LEU  26          HD11      LEU  26  16.652  -8.275  -6.141
  216   2HD1  LEU  26          HD12      LEU  26  16.320  -8.048  -7.874
  217   3HD1  LEU  26          HD13      LEU  26  15.296  -9.103  -6.883
  218   1HD2  LEU  26          HD21      LEU  26  15.617 -11.123  -8.201
  219   2HD2  LEU  26          HD22      LEU  26  16.547 -10.185  -9.390
  220   3HD2  LEU  26          HD23      LEU  26  17.246 -11.643  -8.686
  221    H    ILE  27           H        ILE  27  18.434  -6.831  -5.255
  222    HA   ILE  27           HA       ILE  27  18.429  -4.726  -7.331
  223    HB   ILE  27           HB       ILE  27  17.518  -4.712  -4.426
  224   1HG1  ILE  27          HG12      ILE  27  16.178  -4.926  -7.153
  225   2HG1  ILE  27          HG13      ILE  27  16.159  -6.136  -5.888
  226   1HG2  ILE  27          HG21      ILE  27  17.086  -2.543  -6.510
  227   2HG2  ILE  27          HG22      ILE  27  16.441  -2.589  -4.853
  228   3HG2  ILE  27          HG23      ILE  27  18.156  -2.411  -5.083
  229   1HD1  ILE  27          HD11      ILE  27  14.581  -3.603  -6.040
  230   2HD1  ILE  27          HD12      ILE  27  14.052  -5.281  -5.864
  231   3HD1  ILE  27          HD13      ILE  27  14.822  -4.458  -4.486
  232    H    GLY  28           H        GLY  28  19.543  -2.744  -7.137
  233   1HA   GLY  28          HA2       GLY  28  21.147  -1.706  -5.301
  234   2HA   GLY  28          HA3       GLY  28  22.256  -2.895  -6.024
  235    H    GLU  29           H        GLU  29  21.316  -2.784  -8.703
  236    HA   GLU  29           HA       GLU  29  21.686   0.056  -9.538
  237   1HB   GLU  29          HB2       GLU  29  23.857  -1.210  -9.399
  238   2HB   GLU  29          HB3       GLU  29  23.233  -2.308 -10.644
  239   1HG   GLU  29          HG2       GLU  29  23.127  -0.500 -12.265
  240   2HG   GLU  29          HG3       GLU  29  23.397   0.719 -11.017
  241    H    LYS  30           H        LYS  30  20.207  -3.062 -10.141
  242    HA   LYS  30           HA       LYS  30  19.153  -2.093 -12.758
  243   1HB   LYS  30          HB2       LYS  30  19.094  -4.890 -11.562
  244   2HB   LYS  30          HB3       LYS  30  18.490  -4.433 -13.146
  245   1HG   LYS  30          HG2       LYS  30  21.421  -4.376 -12.272
  246   2HG   LYS  30          HG3       LYS  30  20.631  -5.617 -13.228
  247   1HD   LYS  30          HD2       LYS  30  21.696  -4.447 -14.864
  248   2HD   LYS  30          HD3       LYS  30  20.095  -3.704 -14.924
  249   1HE   LYS  30          HE2       LYS  30  20.938  -1.781 -13.601
  250   2HE   LYS  30          HE3       LYS  30  22.504  -2.578 -13.422
  251   1HZ   LYS  30          HZ1       LYS  30  21.344  -1.660 -15.993
  252   2HZ   LYS  30          HZ2       LYS  30  22.552  -0.933 -15.180
  253   3HZ   LYS  30          HZ3       LYS  30  22.791  -2.406 -15.827
  254    HA   PRO  31           HA       PRO  31  15.233  -1.628 -10.537
  255   1HB   PRO  31          HB2       PRO  31  13.514  -1.469 -12.660
  256   2HB   PRO  31          HB3       PRO  31  14.625  -0.136 -12.210
  257   1HG   PRO  31          HG2       PRO  31  15.036  -2.275 -14.324
  258   2HG   PRO  31          HG3       PRO  31  15.238  -0.500 -14.490
  259   1HD   PRO  31          HD2       PRO  31  17.345  -2.149 -13.995
  260   2HD   PRO  31          HD3       PRO  31  17.246  -0.523 -13.257
  261    H    THR  32           H        THR  32  13.064  -2.834 -10.569
  262    HA   THR  32           HA       THR  32  13.397  -5.664 -11.366
  263    HB   THR  32           HB       THR  32  12.728  -4.697  -8.554
  264    HG1  THR  32           HG1      THR  32  14.863  -4.466  -8.901
  265   1HG2  THR  32          HG21      THR  32  13.049  -7.125  -7.937
  266   2HG2  THR  32          HG22      THR  32  11.587  -6.804  -8.875
  267   3HG2  THR  32          HG23      THR  32  12.998  -7.531  -9.664
  268    H    LEU  33           H        LEU  33  11.509  -6.758 -11.705
  269    HA   LEU  33           HA       LEU  33   8.938  -5.241 -11.511
  270   1HB   LEU  33          HB2       LEU  33   9.584  -5.407 -13.852
  271   2HB   LEU  33          HB3       LEU  33  10.063  -7.094 -13.647
  272    HG   LEU  33           HG       LEU  33   7.654  -7.699 -13.197
  273   1HD1  LEU  33          HD11      LEU  33   6.867  -5.389 -12.517
  274   2HD1  LEU  33          HD12      LEU  33   7.059  -4.893 -14.210
  275   3HD1  LEU  33          HD13      LEU  33   5.887  -6.153 -13.757
  276   1HD2  LEU  33          HD21      LEU  33   8.174  -6.337 -15.853
  277   2HD2  LEU  33          HD22      LEU  33   8.735  -7.946 -15.386
  278   3HD2  LEU  33          HD23      LEU  33   6.998  -7.625 -15.506
  279    H    ILE  34           H        ILE  34   7.356  -6.323 -10.454
  280    HA   ILE  34           HA       ILE  34   7.667  -9.242  -9.924
  281    HB   ILE  34           HB       ILE  34   5.972  -7.291  -8.339
  282   1HG1  ILE  34          HG12      ILE  34   8.703  -8.325  -7.476
  283   2HG1  ILE  34          HG13      ILE  34   8.338  -6.662  -7.959
  284   1HG2  ILE  34          HG21      ILE  34   5.775  -9.148  -6.738
  285   2HG2  ILE  34          HG22      ILE  34   5.288  -9.686  -8.328
  286   3HG2  ILE  34          HG23      ILE  34   6.887 -10.131  -7.706
  287   1HD1  ILE  34          HD11      ILE  34   6.576  -6.631  -6.089
  288   2HD1  ILE  34          HD12      ILE  34   7.342  -8.120  -5.497
  289   3HD1  ILE  34          HD13      ILE  34   8.278  -6.624  -5.611
  290    H    HIS  35           H        HIS  35   5.938 -10.467 -10.771
  291    HA   HIS  35           HA       HIS  35   3.455  -8.979 -11.456
  292   1HB   HIS  35          HB2       HIS  35   3.088 -10.269 -13.433
  293   2HB   HIS  35          HB3       HIS  35   4.599  -9.350 -13.585
  294    HD1  HIS  35           HD1      HIS  35   3.170 -12.759 -13.930
  295    HD2  HIS  35           HD2      HIS  35   6.930 -10.964 -13.359
  296    HE1  HIS  35           HE1      HIS  35   4.906 -14.557 -14.406
  297    H    PHE  36           H        PHE  36   1.544 -10.151 -11.333
  298    HA   PHE  36           HA       PHE  36   1.634 -12.568  -9.595
  299   1HB   PHE  36          HB2       PHE  36  -0.237 -10.166  -9.567
  300   2HB   PHE  36          HB3       PHE  36  -0.502 -11.642  -8.654
  301    HD1  PHE  36           HD1      PHE  36   2.077  -8.930  -9.147
  302    HD2  PHE  36           HD2      PHE  36   0.317 -11.777  -6.422
  303    HE1  PHE  36           HE1      PHE  36   3.611  -8.195  -7.367
  304    HE2  PHE  36           HE2      PHE  36   1.777 -10.943  -4.615
  305    HZ   PHE  36           HZ       PHE  36   3.493  -9.209  -5.113
  306    H    TRP  37           H        TRP  37   0.619 -14.286 -10.511
  307    HA   TRP  37           HA       TRP  37  -1.348 -13.911 -12.720
  308   1HB   TRP  37          HB2       TRP  37  -0.003 -15.338 -14.166
  309   2HB   TRP  37          HB3       TRP  37   0.920 -13.921 -13.708
  310    HD1  TRP  37           HD1      TRP  37   3.106 -14.333 -12.145
  311    HE1  TRP  37           HE1      TRP  37   4.372 -16.413 -11.420
  312    HE3  TRP  37           HE3      TRP  37  -0.111 -17.913 -13.924
  313    HZ2  TRP  37           HZ2      TRP  37   4.097 -19.313 -11.680
  314    HZ3  TRP  37           HZ3      TRP  37   0.460 -20.304 -13.748
  315    HH2  TRP  37           HH2      TRP  37   2.569 -21.022 -12.642
  316    H    SER  38           H        SER  38  -2.115 -16.349 -13.369
  317    HA   SER  38           HA       SER  38  -1.852 -18.288 -11.225
  318   1HB   SER  38          HB2       SER  38  -4.371 -18.386 -10.938
  319   2HB   SER  38          HB3       SER  38  -3.515 -17.069 -10.133
  320    HG   SER  38           HG       SER  38  -4.133 -15.710 -11.894
  321    H    ILE  39           H        ILE  39  -2.992 -20.388 -11.787
  322    HA   ILE  39           HA       ILE  39  -2.295 -20.903 -14.541
  323    HB   ILE  39           HB       ILE  39  -2.888 -23.255 -14.007
  324   1HG1  ILE  39          HG12      ILE  39  -3.475 -22.175 -11.226
  325   2HG1  ILE  39          HG13      ILE  39  -4.673 -22.836 -12.332
  326   1HG2  ILE  39          HG21      ILE  39  -0.974 -23.616 -12.615
  327   2HG2  ILE  39          HG22      ILE  39  -0.613 -22.283 -13.679
  328   3HG2  ILE  39          HG23      ILE  39  -1.018 -21.958 -11.976
  329   1HD1  ILE  39          HD11      ILE  39  -3.606 -25.038 -12.220
  330   2HD1  ILE  39          HD12      ILE  39  -2.387 -24.428 -11.075
  331   3HD1  ILE  39          HD13      ILE  39  -4.092 -24.489 -10.626
  332    H    SER  40           H        SER  40  -5.394 -20.330 -12.953
  333    HA   SER  40           HA       SER  40  -6.762 -21.183 -15.470
  334   1HB   SER  40          HB2       SER  40  -8.719 -21.592 -14.098
  335   2HB   SER  40          HB3       SER  40  -7.324 -22.525 -13.543
  336    HG   SER  40           HG       SER  40  -7.041 -21.073 -11.841
  337    H    CYS  41           H        CYS  41  -5.472 -18.506 -14.830
  338    HA   CYS  41           HA       CYS  41  -7.499 -16.503 -14.622
  339   1HB   CYS  41          HB2       CYS  41  -5.726 -15.017 -15.283
  340   2HB   CYS  41          HB3       CYS  41  -5.021 -16.256 -14.258
  341    H    HIS  42           H        HIS  42  -7.979 -14.939 -16.498
  342    HA   HIS  42           HA       HIS  42  -8.244 -16.363 -19.124
  343   1HB   HIS  42          HB2       HIS  42 -10.235 -14.515 -17.748
  344   2HB   HIS  42          HB3       HIS  42 -10.403 -15.158 -19.376
  345    HD1  HIS  42           HD1      HIS  42  -9.235 -18.123 -17.735
  346    HD2  HIS  42           HD2      HIS  42 -12.754 -15.814 -17.587
  347    HE1  HIS  42           HE1      HIS  42 -11.067 -19.667 -16.876
  348    H    LEU  43           H        LEU  43  -6.659 -13.781 -17.702
  349    HA   LEU  43           HA       LEU  43  -6.162 -12.829 -20.456
  350   1HB   LEU  43          HB2       LEU  43  -7.690 -11.208 -19.395
  351   2HB   LEU  43          HB3       LEU  43  -6.512 -10.936 -18.108
  352    HG   LEU  43           HG       LEU  43  -4.917  -9.965 -19.689
  353   1HD1  LEU  43          HD11      LEU  43  -6.940 -10.686 -21.863
  354   2HD1  LEU  43          HD12      LEU  43  -5.538  -9.614 -22.093
  355   3HD1  LEU  43          HD13      LEU  43  -5.288 -11.314 -21.705
  356   1HD2  LEU  43          HD21      LEU  43  -7.714  -8.860 -20.152
  357   2HD2  LEU  43          HD22      LEU  43  -6.670  -8.512 -18.756
  358   3HD2  LEU  43          HD23      LEU  43  -6.183  -7.988 -20.374
  359    H    CYS  44           H        CYS  44  -4.860 -13.717 -17.348
  360    HA   CYS  44           HA       CYS  44  -2.254 -12.630 -17.846
  361   1HB   CYS  44          HB2       CYS  44  -1.519 -13.599 -15.958
  362   2HB   CYS  44          HB3       CYS  44  -3.224 -13.468 -15.582
  363    H    LYS  45           H        LYS  45  -4.013 -15.231 -19.287
  364    HA   LYS  45           HA       LYS  45  -1.814 -16.741 -20.255
  365   1HB   LYS  45          HB2       LYS  45  -3.301 -17.880 -21.478
  366   2HB   LYS  45          HB3       LYS  45  -4.442 -17.131 -20.367
  367   1HG   LYS  45          HG2       LYS  45  -3.853 -16.147 -23.187
  368   2HG   LYS  45          HG3       LYS  45  -5.171 -17.220 -22.734
  369   1HD   LYS  45          HD2       LYS  45  -6.240 -15.533 -21.375
  370   2HD   LYS  45          HD3       LYS  45  -4.831 -14.464 -21.512
  371   1HE   LYS  45          HE2       LYS  45  -6.428 -13.598 -23.038
  372   2HE   LYS  45          HE3       LYS  45  -5.129 -14.351 -23.972
  373   1HZ   LYS  45          HZ1       LYS  45  -6.603 -16.272 -24.311
  374   2HZ   LYS  45          HZ2       LYS  45  -7.787 -15.574 -23.417
  375   3HZ   LYS  45          HZ3       LYS  45  -7.331 -14.915 -24.833
  376    H    GLU  46           H        GLU  46  -2.715 -13.464 -20.955
  377    HA   GLU  46           HA       GLU  46  -1.015 -13.440 -23.409
  378   1HB   GLU  46          HB2       GLU  46  -2.542 -11.208 -22.003
  379   2HB   GLU  46          HB3       GLU  46  -1.531 -10.997 -23.427
  380   1HG   GLU  46          HG2       GLU  46  -4.023 -12.717 -23.261
  381   2HG   GLU  46          HG3       GLU  46  -3.924 -11.134 -24.006
  382    H    ALA  47           H        ALA  47  -1.154 -12.430 -19.993
  383    HA   ALA  47           HA       ALA  47   1.198 -10.895 -19.952
  384   1HB   ALA  47          HB1       ALA  47   1.101 -11.186 -17.482
  385   2HB   ALA  47          HB2       ALA  47  -0.521 -10.884 -18.127
  386   3HB   ALA  47          HB3       ALA  47  -0.006 -12.531 -17.663
  387    H    MET  48           H        MET  48   0.794 -14.409 -19.225
  388    HA   MET  48           HA       MET  48   3.476 -14.817 -18.419
  389   1HB   MET  48          HB2       MET  48   1.443 -16.743 -19.598
  390   2HB   MET  48          HB3       MET  48   2.996 -17.231 -18.910
  391   1HG   MET  48          HG2       MET  48   2.359 -16.099 -16.760
  392   2HG   MET  48          HG3       MET  48   0.778 -15.747 -17.433
  393   1HE   MET  48          HE1       MET  48  -0.678 -19.444 -17.840
  394   2HE   MET  48          HE2       MET  48  -0.879 -17.739 -18.312
  395   3HE   MET  48          HE3       MET  48   0.418 -18.731 -19.039
  396    HA   PRO  49           HA       PRO  49   4.797 -15.957 -22.857
  397   1HB   PRO  49          HB2       PRO  49   3.421 -14.547 -24.887
  398   2HB   PRO  49          HB3       PRO  49   3.330 -16.303 -24.535
  399   1HG   PRO  49          HG2       PRO  49   1.431 -14.117 -23.834
  400   2HG   PRO  49          HG3       PRO  49   1.090 -15.835 -24.140
  401   1HD   PRO  49          HD2       PRO  49   1.157 -14.718 -21.622
  402   2HD   PRO  49          HD3       PRO  49   1.529 -16.433 -21.934
  403    H    GLN  50           H        GLN  50   3.335 -12.723 -22.063
  404    HA   GLN  50           HA       GLN  50   5.404 -11.365 -23.576
  405   1HB   GLN  50          HB2       GLN  50   3.017 -10.674 -23.206
  406   2HB   GLN  50          HB3       GLN  50   3.446 -10.223 -21.554
  407   1HG   GLN  50          HG2       GLN  50   4.702  -8.372 -22.282
  408   2HG   GLN  50          HG3       GLN  50   5.102  -9.119 -23.842
  409   1HE2  GLN  50          HE22      GLN  50   2.116  -8.260 -22.026
  410   2HE2  GLN  50          HE21      GLN  50   1.182  -7.840 -23.436
  411    H    VAL  51           H        VAL  51   4.869 -12.328 -20.205
  412    HA   VAL  51           HA       VAL  51   7.037 -11.017 -18.983
  413    HB   VAL  51           HB       VAL  51   5.569 -13.618 -18.489
  414   1HG1  VAL  51          HG11      VAL  51   6.625 -13.962 -16.379
  415   2HG1  VAL  51          HG12      VAL  51   7.864 -14.021 -17.614
  416   3HG1  VAL  51          HG13      VAL  51   7.700 -12.563 -16.600
  417   1HG2  VAL  51          HG21      VAL  51   4.486 -11.398 -18.009
  418   2HG2  VAL  51          HG22      VAL  51   4.585 -12.495 -16.634
  419   3HG2  VAL  51          HG23      VAL  51   5.715 -11.129 -16.754
  420    H    ASN  52           H        ASN  52   6.829 -14.225 -20.643
  421    HA   ASN  52           HA       ASN  52   9.578 -14.861 -20.369
  422   1HB   ASN  52          HB2       ASN  52   8.220 -16.647 -20.982
  423   2HB   ASN  52          HB3       ASN  52   7.342 -15.725 -22.196
  424   1HD2  ASN  52          HD22      ASN  52   7.934 -15.945 -24.293
  425   2HD2  ASN  52          HD21      ASN  52   9.419 -16.691 -24.846
  426    H    GLU  53           H        GLU  53   7.867 -13.034 -22.966
  427    HA   GLU  53           HA       GLU  53  10.126 -12.604 -24.624
  428   1HB   GLU  53          HB2       GLU  53   7.540 -11.076 -24.199
  429   2HB   GLU  53          HB3       GLU  53   8.839 -10.375 -25.152
  430   1HG   GLU  53          HG2       GLU  53   8.851 -12.397 -26.606
  431   2HG   GLU  53          HG3       GLU  53   7.477 -13.038 -25.688
  432    H    PHE  54           H        PHE  54   8.767 -10.155 -22.236
  433    HA   PHE  54           HA       PHE  54  11.080  -8.568 -22.772
  434   1HB   PHE  54          HB2       PHE  54  10.308  -7.035 -21.071
  435   2HB   PHE  54          HB3       PHE  54   9.102  -7.441 -22.262
  436    HD1  PHE  54           HD1      PHE  54  10.186  -8.850 -18.877
  437    HD2  PHE  54           HD2      PHE  54   6.995  -7.340 -21.377
  438    HE1  PHE  54           HE1      PHE  54   8.544  -9.353 -17.108
  439    HE2  PHE  54           HE2      PHE  54   5.393  -7.697 -19.544
  440    HZ   PHE  54           HZ       PHE  54   6.153  -8.752 -17.404
  441    H    ARG  55           H        ARG  55  10.571 -11.115 -20.420
  442    HA   ARG  55           HA       ARG  55  12.828 -10.520 -18.766
  443   1HB   ARG  55          HB2       ARG  55  11.269 -12.195 -18.097
  444   2HB   ARG  55          HB3       ARG  55  11.453 -13.106 -19.585
  445   1HG   ARG  55          HG2       ARG  55  13.789 -12.731 -17.675
  446   2HG   ARG  55          HG3       ARG  55  12.552 -13.949 -17.387
  447   1HD   ARG  55          HD2       ARG  55  14.358 -13.834 -19.838
  448   2HD   ARG  55          HD3       ARG  55  14.487 -14.944 -18.504
  449    HE   ARG  55           HE       ARG  55  12.429 -14.915 -20.642
  450   1HH1  ARG  55          HH21      ARG  55  13.556 -16.428 -17.640
  451   2HH1  ARG  55          HH22      ARG  55  12.804 -17.953 -17.967
  452   1HH2  ARG  55          HH11      ARG  55  11.331 -16.965 -21.017
  453   2HH2  ARG  55          HH12      ARG  55  11.308 -18.155 -19.768
  454    H    ASP  56           H        ASP  56  12.595 -12.236 -21.962
  455    HA   ASP  56           HA       ASP  56  15.453 -12.763 -21.992
  456   1HB   ASP  56          HB2       ASP  56  13.979 -14.179 -23.245
  457   2HB   ASP  56          HB3       ASP  56  13.369 -12.812 -24.189
  458    H    LYS  57           H        LYS  57  13.324 -10.253 -23.434
  459    HA   LYS  57           HA       LYS  57  15.322  -8.903 -24.925
  460   1HB   LYS  57          HB2       LYS  57  12.888  -7.701 -23.537
  461   2HB   LYS  57          HB3       LYS  57  13.831  -6.917 -24.799
  462   1HG   LYS  57          HG2       LYS  57  13.189  -8.537 -26.452
  463   2HG   LYS  57          HG3       LYS  57  12.443  -9.572 -25.238
  464   1HD   LYS  57          HD2       LYS  57  10.734  -7.807 -24.776
  465   2HD   LYS  57          HD3       LYS  57  11.446  -6.812 -26.067
  466   1HE   LYS  57          HE2       LYS  57  10.928  -8.633 -27.700
  467   2HE   LYS  57          HE3       LYS  57  10.300  -9.624 -26.382
  468   1HZ   LYS  57          HZ1       LYS  57   8.404  -8.709 -27.195
  469   2HZ   LYS  57          HZ2       LYS  57   8.727  -7.567 -26.042
  470   3HZ   LYS  57          HZ3       LYS  57   9.089  -7.267 -27.606
  471    H    TYR  58           H        TYR  58  14.449  -8.619 -21.503
  472    HA   TYR  58           HA       TYR  58  16.600  -6.568 -21.188
  473   1HB   TYR  58          HB2       TYR  58  14.058  -6.692 -19.588
  474   2HB   TYR  58          HB3       TYR  58  15.226  -5.382 -19.652
  475    HD1  TYR  58           HD1      TYR  58  15.681  -4.822 -22.474
  476    HD2  TYR  58           HD2      TYR  58  12.058  -5.937 -20.436
  477    HE1  TYR  58           HE1      TYR  58  14.363  -3.867 -24.329
  478    HE2  TYR  58           HE2      TYR  58  10.713  -5.000 -22.304
  479    HH   TYR  58           HH       TYR  58  12.216  -3.534 -25.210
  480    H    GLN  59           H        GLN  59  16.149  -9.733 -20.181
  481    HA   GLN  59           HA       GLN  59  16.654  -9.890 -17.601
  482   1HB   GLN  59          HB2       GLN  59  18.240 -11.879 -18.108
  483   2HB   GLN  59          HB3       GLN  59  16.561 -11.935 -18.578
  484   1HG   GLN  59          HG2       GLN  59  18.099 -12.898 -20.264
  485   2HG   GLN  59          HG3       GLN  59  17.054 -11.655 -20.885
  486   1HE2  GLN  59          HE22      GLN  59  18.010 -10.189 -22.228
  487   2HE2  GLN  59          HE21      GLN  59  19.696  -9.715 -22.174
  488    H    ASP  60           H        ASP  60  19.216  -8.564 -19.677
  489    HA   ASP  60           HA       ASP  60  21.185  -8.661 -17.475
  490   1HB   ASP  60          HB2       ASP  60  21.812  -9.138 -19.831
  491   2HB   ASP  60          HB3       ASP  60  21.349  -7.499 -20.281
  492    H    GLN  61           H        GLN  61  18.626  -6.715 -18.125
  493    HA   GLN  61           HA       GLN  61  19.874  -4.111 -17.354
  494   1HB   GLN  61          HB2       GLN  61  17.539  -4.676 -19.224
  495   2HB   GLN  61          HB3       GLN  61  18.277  -3.109 -18.940
  496   1HG   GLN  61          HG2       GLN  61  20.152  -3.602 -20.272
  497   2HG   GLN  61          HG3       GLN  61  19.986  -5.337 -20.064
  498   1HE2  GLN  61          HE22      GLN  61  19.380  -6.423 -21.883
  499   2HE2  GLN  61          HE21      GLN  61  18.174  -5.866 -23.006
  500    H    LEU  62           H        LEU  62  17.464  -6.478 -16.756
  501    HA   LEU  62           HA       LEU  62  15.939  -4.831 -14.788
  502   1HB   LEU  62          HB2       LEU  62  14.824  -4.786 -17.022
  503   2HB   LEU  62          HB3       LEU  62  14.965  -6.532 -17.132
  504    HG   LEU  62           HG       LEU  62  13.423  -6.786 -15.188
  505   1HD1  LEU  62          HD11      LEU  62  12.995  -3.783 -15.535
  506   2HD1  LEU  62          HD12      LEU  62  12.015  -4.870 -14.525
  507   3HD1  LEU  62          HD13      LEU  62  13.703  -4.575 -14.113
  508   1HD2  LEU  62          HD21      LEU  62  12.495  -5.340 -17.669
  509   2HD2  LEU  62          HD22      LEU  62  12.621  -7.085 -17.414
  510   3HD2  LEU  62          HD23      LEU  62  11.399  -6.165 -16.524
  511    H    ASN  63           H        ASN  63  15.263  -6.071 -13.013
  512    HA   ASN  63           HA       ASN  63  15.916  -8.981 -12.956
  513   1HB   ASN  63          HB2       ASN  63  14.941  -7.054 -10.844
  514   2HB   ASN  63          HB3       ASN  63  15.165  -8.768 -10.576
  515   1HD2  ASN  63          HD22      ASN  63  16.438  -6.156  -9.562
  516   2HD2  ASN  63          HD21      ASN  63  18.153  -6.575  -9.531
  517    H    VAL  64           H        VAL  64  14.139 -10.464 -12.933
  518    HA   VAL  64           HA       VAL  64  11.385  -9.313 -12.918
  519    HB   VAL  64           HB       VAL  64  12.305 -11.604 -14.702
  520   1HG1  VAL  64          HG11      VAL  64   9.723  -9.978 -14.734
  521   2HG1  VAL  64          HG12      VAL  64  10.113 -11.410 -15.723
  522   3HG1  VAL  64          HG13      VAL  64   9.882 -11.562 -13.975
  523   1HG2  VAL  64          HG21      VAL  64  11.952 -10.067 -16.627
  524   2HG2  VAL  64          HG22      VAL  64  11.781  -8.709 -15.491
  525   3HG2  VAL  64          HG23      VAL  64  13.325  -9.585 -15.629
  526    H    VAL  65           H        VAL  65  10.142 -10.284 -11.390
  527    HA   VAL  65           HA       VAL  65  10.751 -13.059 -10.594
  528    HB   VAL  65           HB       VAL  65  10.744 -12.637  -8.301
  529   1HG1  VAL  65          HG11      VAL  65  12.337 -10.269  -9.333
  530   2HG1  VAL  65          HG12      VAL  65  12.549 -11.135  -7.805
  531   3HG1  VAL  65          HG13      VAL  65  12.890 -11.962  -9.333
  532   1HG2  VAL  65          HG21      VAL  65   9.773  -9.820  -8.841
  533   2HG2  VAL  65          HG22      VAL  65   8.914 -11.137  -7.995
  534   3HG2  VAL  65          HG23      VAL  65  10.329 -10.394  -7.255
  535    H    ALA  66           H        ALA  66   8.822 -14.102  -9.663
  536    HA   ALA  66           HA       ALA  66   6.277 -12.896 -10.703
  537   1HB   ALA  66          HB1       ALA  66   5.818 -14.951 -11.765
  538   2HB   ALA  66          HB2       ALA  66   7.526 -14.627 -12.149
  539   3HB   ALA  66          HB3       ALA  66   7.107 -15.777 -10.874
  540    H    VAL  67           H        VAL  67   4.371 -13.745  -9.725
  541    HA   VAL  67           HA       VAL  67   4.719 -15.292  -7.219
  542    HB   VAL  67           HB       VAL  67   2.888 -12.890  -7.487
  543   1HG1  VAL  67          HG11      VAL  67   2.387 -14.516  -5.695
  544   2HG1  VAL  67          HG12      VAL  67   4.055 -14.396  -5.094
  545   3HG1  VAL  67          HG13      VAL  67   2.968 -13.001  -5.000
  546   1HG2  VAL  67          HG21      VAL  67   5.119 -11.968  -7.810
  547   2HG2  VAL  67          HG22      VAL  67   4.533 -11.555  -6.218
  548   3HG2  VAL  67          HG23      VAL  67   5.732 -12.853  -6.385
  549    H    HIS  68           H        HIS  68   3.432 -17.066  -7.357
  550    HA   HIS  68           HA       HIS  68   1.154 -17.097  -9.264
  551   1HB   HIS  68          HB2       HIS  68   2.300 -19.190  -9.099
  552   2HB   HIS  68          HB3       HIS  68   2.317 -19.122  -7.330
  553    HD1  HIS  68           HD1      HIS  68  -0.352 -19.345 -10.140
  554    HD2  HIS  68           HD2      HIS  68   0.208 -20.009  -6.026
  555    HE1  HIS  68           HE1      HIS  68  -2.593 -20.180  -9.212
  556    H    MET  69           H        MET  69  -0.896 -16.551  -8.591
  557    HA   MET  69           HA       MET  69  -1.291 -15.917  -5.708
  558   1HB   MET  69          HB2       MET  69  -1.107 -14.112  -7.783
  559   2HB   MET  69          HB3       MET  69  -2.844 -14.335  -7.653
  560   1HG   MET  69          HG2       MET  69  -0.894 -13.451  -5.520
  561   2HG   MET  69          HG3       MET  69  -2.189 -12.506  -6.248
  562   1HE   MET  69          HE1       MET  69  -4.596 -14.797  -6.112
  563   2HE   MET  69          HE2       MET  69  -5.354 -14.325  -4.589
  564   3HE   MET  69          HE3       MET  69  -4.864 -13.074  -5.757
  565    HA   PRO  70           HA       PRO  70  -4.300 -19.335  -6.555
  566   1HB   PRO  70          HB2       PRO  70  -4.743 -18.662  -3.624
  567   2HB   PRO  70          HB3       PRO  70  -4.701 -20.253  -4.414
  568   1HG   PRO  70          HG2       PRO  70  -2.547 -19.356  -3.051
  569   2HG   PRO  70          HG3       PRO  70  -2.295 -20.115  -4.649
  570   1HD   PRO  70          HD2       PRO  70  -2.454 -17.137  -3.999
  571   2HD   PRO  70          HD3       PRO  70  -1.259 -18.023  -5.010
  572    H    ARG  71           H        ARG  71  -6.252 -18.921  -7.456
  573    HA   ARG  71           HA       ARG  71  -8.046 -16.921  -6.114
  574   1HB   ARG  71          HB2       ARG  71  -8.410 -18.181  -8.830
  575   2HB   ARG  71          HB3       ARG  71  -9.260 -16.785  -8.152
  576   1HG   ARG  71          HG2       ARG  71  -6.968 -15.609  -8.057
  577   2HG   ARG  71          HG3       ARG  71  -6.347 -16.930  -9.039
  578   1HD   ARG  71          HD2       ARG  71  -8.270 -14.747  -9.753
  579   2HD   ARG  71          HD3       ARG  71  -6.824 -15.271 -10.609
  580    HE   ARG  71           HE       ARG  71  -9.516 -16.114 -11.054
  581   1HH1  ARG  71          HH21      ARG  71  -6.237 -17.415 -11.276
  582   2HH1  ARG  71          HH22      ARG  71  -6.739 -19.046 -11.543
  583   1HH2  ARG  71          HH11      ARG  71 -10.181 -18.195 -11.897
  584   2HH2  ARG  71          HH12      ARG  71  -8.969 -19.397 -12.232
  585    H    SER  72           H        SER  72  -7.664 -20.358  -6.658
  586    HA   SER  72           HA       SER  72 -10.179 -20.996  -5.293
  587   1HB   SER  72          HB2       SER  72  -9.514 -22.082  -8.067
  588   2HB   SER  72          HB3       SER  72 -10.963 -22.422  -7.107
  589    HG   SER  72           HG       SER  72 -11.355 -20.891  -8.751
  590    H    GLU  73           H        GLU  73 -10.206 -23.437  -4.861
  591    HA   GLU  73           HA       GLU  73  -7.668 -24.420  -3.988
  592   1HB   GLU  73          HB2       GLU  73 -10.273 -25.905  -4.554
  593   2HB   GLU  73          HB3       GLU  73  -8.893 -26.577  -3.688
  594   1HG   GLU  73          HG2       GLU  73 -10.589 -24.205  -2.796
  595   2HG   GLU  73          HG3       GLU  73 -10.669 -25.840  -2.157
  596    H    ASP  74           H        ASP  74  -9.576 -24.958  -6.967
  597    HA   ASP  74           HA       ASP  74  -7.598 -26.789  -8.080
  598   1HB   ASP  74          HB2       ASP  74  -9.066 -27.162  -9.811
  599   2HB   ASP  74          HB3       ASP  74 -10.148 -26.881  -8.454
  600    H    ASP  75           H        ASP  75  -7.057 -23.832  -7.415
  601    HA   ASP  75           HA       ASP  75  -5.801 -23.100 -10.040
  602   1HB   ASP  75          HB2       ASP  75  -7.581 -21.511  -9.201
  603   2HB   ASP  75          HB3       ASP  75  -6.511 -21.186  -7.813
  604    H    LEU  76           H        LEU  76  -5.215 -24.201  -6.844
  605    HA   LEU  76           HA       LEU  76  -2.518 -22.946  -6.796
  606   1HB   LEU  76          HB2       LEU  76  -2.594 -23.149  -4.369
  607   2HB   LEU  76          HB3       LEU  76  -3.820 -22.119  -5.068
  608    HG   LEU  76           HG       LEU  76  -5.528 -23.886  -4.748
  609   1HD1  LEU  76          HD11      LEU  76  -3.299 -25.372  -3.280
  610   2HD1  LEU  76          HD12      LEU  76  -5.031 -25.740  -3.117
  611   3HD1  LEU  76          HD13      LEU  76  -4.245 -25.955  -4.671
  612   1HD2  LEU  76          HD21      LEU  76  -5.679 -23.609  -2.284
  613   2HD2  LEU  76          HD22      LEU  76  -3.994 -23.044  -2.247
  614   3HD2  LEU  76          HD23      LEU  76  -5.241 -22.105  -3.093
  615    H    ASP  77           H        ASP  77  -3.667 -25.700  -7.855
  616    HA   ASP  77           HA       ASP  77  -2.413 -27.819  -6.564
  617   1HB   ASP  77          HB2       ASP  77  -4.084 -28.077  -8.307
  618   2HB   ASP  77          HB3       ASP  77  -2.957 -27.467  -9.519
  619    HA   PRO  78           HA       PRO  78   1.818 -26.276  -7.065
  620   1HB   PRO  78          HB2       PRO  78   2.430 -29.118  -6.273
  621   2HB   PRO  78          HB3       PRO  78   3.158 -27.593  -5.680
  622   1HG   PRO  78          HG2       PRO  78   1.277 -28.892  -4.214
  623   2HG   PRO  78          HG3       PRO  78   1.238 -27.102  -4.357
  624   1HD   PRO  78          HD2       PRO  78  -0.446 -29.139  -5.818
  625   2HD   PRO  78          HD3       PRO  78  -0.917 -27.553  -5.146
  626    H    GLY  79           H        GLY  79   0.684 -29.330  -8.518
  627   1HA   GLY  79          HA2       GLY  79   3.004 -29.727 -10.226
  628   2HA   GLY  79          HA3       GLY  79   1.451 -30.594 -10.262
  629    H    LYS  80           H        LYS  80  -0.408 -28.468 -10.578
  630    HA   LYS  80           HA       LYS  80   0.053 -27.963 -13.381
  631   1HB   LYS  80          HB2       LYS  80  -2.165 -28.441 -12.479
  632   2HB   LYS  80          HB3       LYS  80  -2.180 -26.856 -11.673
  633   1HG   LYS  80          HG2       LYS  80  -2.051 -25.695 -13.773
  634   2HG   LYS  80          HG3       LYS  80  -1.529 -27.135 -14.641
  635   1HD   LYS  80          HD2       LYS  80  -3.741 -28.142 -14.425
  636   2HD   LYS  80          HD3       LYS  80  -4.333 -26.727 -13.510
  637   1HE   LYS  80          HE2       LYS  80  -3.729 -25.241 -15.383
  638   2HE   LYS  80          HE3       LYS  80  -2.996 -26.599 -16.242
  639   1HZ   LYS  80          HZ1       LYS  80  -5.897 -26.343 -15.632
  640   2HZ   LYS  80          HZ2       LYS  80  -5.218 -26.096 -17.093
  641   3HZ   LYS  80          HZ3       LYS  80  -5.215 -27.588 -16.443
  642    H    ILE  81           H        ILE  81   0.613 -25.929 -10.462
  643    HA   ILE  81           HA       ILE  81   1.042 -23.485 -11.940
  644    HB   ILE  81           HB       ILE  81   2.264 -24.516  -9.367
  645   1HG1  ILE  81          HG12      ILE  81   0.157 -22.327  -9.564
  646   2HG1  ILE  81          HG13      ILE  81  -0.357 -24.004  -9.639
  647   1HG2  ILE  81          HG21      ILE  81   2.918 -22.202  -8.861
  648   2HG2  ILE  81          HG22      ILE  81   3.667 -22.689 -10.377
  649   3HG2  ILE  81          HG23      ILE  81   2.240 -21.639 -10.394
  650   1HD1  ILE  81          HD11      ILE  81  -0.410 -23.205  -7.334
  651   2HD1  ILE  81          HD12      ILE  81   0.759 -24.524  -7.565
  652   3HD1  ILE  81          HD13      ILE  81   1.325 -22.849  -7.394
  653    H    LYS  82           H        LYS  82   3.321 -26.035 -10.855
  654    HA   LYS  82           HA       LYS  82   5.579 -25.143 -12.279
  655   1HB   LYS  82          HB2       LYS  82   5.891 -26.868 -10.685
  656   2HB   LYS  82          HB3       LYS  82   4.596 -27.851 -11.356
  657   1HG   LYS  82          HG2       LYS  82   6.624 -28.935 -11.903
  658   2HG   LYS  82          HG3       LYS  82   5.927 -28.275 -13.381
  659   1HD   LYS  82          HD2       LYS  82   7.561 -26.345 -13.229
  660   2HD   LYS  82          HD3       LYS  82   8.258 -27.117 -11.800
  661   1HE   LYS  82          HE2       LYS  82   9.614 -27.697 -13.713
  662   2HE   LYS  82          HE3       LYS  82   8.779 -29.148 -13.151
  663   1HZ   LYS  82          HZ1       LYS  82   7.201 -28.901 -14.989
  664   2HZ   LYS  82          HZ2       LYS  82   7.912 -27.492 -15.449
  665   3HZ   LYS  82          HZ3       LYS  82   8.727 -28.904 -15.567
  666    H    GLU  83           H        GLU  83   2.955 -27.339 -13.488
  667    HA   GLU  83           HA       GLU  83   4.420 -27.639 -15.955
  668   1HB   GLU  83          HB2       GLU  83   1.666 -28.559 -15.098
  669   2HB   GLU  83          HB3       GLU  83   2.339 -28.892 -16.698
  670   1HG   GLU  83          HG2       GLU  83   3.633 -29.730 -14.063
  671   2HG   GLU  83          HG3       GLU  83   2.685 -30.771 -15.112
  672    H    THR  84           H        THR  84   1.582 -25.563 -15.097
  673    HA   THR  84           HA       THR  84   1.322 -24.524 -17.750
  674    HB   THR  84           HB       THR  84   0.837 -23.052 -15.133
  675    HG1  THR  84           HG1      THR  84  -0.277 -24.894 -14.957
  676   1HG2  THR  84          HG21      THR  84   0.603 -21.601 -17.098
  677   2HG2  THR  84          HG22      THR  84  -0.464 -22.789 -17.881
  678   3HG2  THR  84          HG23      THR  84  -0.992 -21.940 -16.409
  679    H    ALA  85           H        ALA  85   3.487 -23.679 -15.030
  680    HA   ALA  85           HA       ALA  85   4.814 -21.524 -16.295
  681   1HB   ALA  85          HB1       ALA  85   5.232 -22.062 -13.941
  682   2HB   ALA  85          HB2       ALA  85   6.009 -23.596 -14.399
  683   3HB   ALA  85          HB3       ALA  85   6.748 -22.073 -14.870
  684    H    ALA  86           H        ALA  86   5.233 -25.057 -16.777
  685    HA   ALA  86           HA       ALA  86   7.607 -24.734 -18.419
  686   1HB   ALA  86          HB1       ALA  86   7.054 -26.867 -17.248
  687   2HB   ALA  86          HB2       ALA  86   5.646 -27.072 -18.314
  688   3HB   ALA  86          HB3       ALA  86   7.279 -27.075 -18.996
  689    H    GLU  87           H        GLU  87   4.076 -24.815 -18.944
  690    HA   GLU  87           HA       GLU  87   4.244 -25.155 -21.750
  691   1HB   GLU  87          HB2       GLU  87   2.043 -24.143 -19.919
  692   2HB   GLU  87          HB3       GLU  87   1.803 -24.216 -21.656
  693   1HG   GLU  87          HG2       GLU  87   2.614 -26.640 -20.003
  694   2HG   GLU  87          HG3       GLU  87   0.949 -26.203 -20.361
  695    H    HIS  88           H        HIS  88   4.830 -22.289 -19.915
  696    HA   HIS  88           HA       HIS  88   4.964 -20.756 -22.477
  697   1HB   HIS  88          HB2       HIS  88   4.119 -19.718 -19.763
  698   2HB   HIS  88          HB3       HIS  88   4.414 -18.714 -21.176
  699    HD1  HIS  88           HD1      HIS  88   2.487 -18.753 -23.080
  700    HD2  HIS  88           HD2      HIS  88   1.856 -21.189 -19.704
  701    HE1  HIS  88           HE1      HIS  88   0.041 -19.452 -23.148
  702    H    ASP  89           H        ASP  89   6.902 -22.357 -20.495
  703    HA   ASP  89           HA       ASP  89   9.076 -22.310 -20.008
  704   1HB   ASP  89          HB2       ASP  89   9.242 -21.955 -22.459
  705   2HB   ASP  89          HB3       ASP  89   9.358 -20.215 -22.188
  706    H    ILE  90           H        ILE  90   7.482 -20.914 -18.368
  707    HA   ILE  90           HA       ILE  90   8.619 -18.342 -17.573
  708    HB   ILE  90           HB       ILE  90   6.690 -20.082 -15.999
  709   1HG1  ILE  90          HG12      ILE  90   5.912 -18.272 -18.321
  710   2HG1  ILE  90          HG13      ILE  90   5.641 -20.009 -18.171
  711   1HG2  ILE  90          HG21      ILE  90   7.751 -18.029 -15.040
  712   2HG2  ILE  90          HG22      ILE  90   6.945 -17.077 -16.319
  713   3HG2  ILE  90          HG23      ILE  90   5.983 -17.940 -15.091
  714   1HD1  ILE  90          HD11      ILE  90   4.212 -19.462 -16.080
  715   2HD1  ILE  90          HD12      ILE  90   4.235 -17.794 -16.680
  716   3HD1  ILE  90          HD13      ILE  90   3.543 -19.090 -17.673
  717    H    THR  91           H        THR  91  10.682 -18.535 -16.882
  718    HA   THR  91           HA       THR  91  11.368 -20.612 -14.889
  719    HB   THR  91           HB       THR  91  13.563 -20.812 -16.095
  720    HG1  THR  91           HG1      THR  91  13.553 -20.159 -18.253
  721   1HG2  THR  91          HG21      THR  91  11.105 -21.576 -17.726
  722   2HG2  THR  91          HG22      THR  91  12.701 -22.354 -17.773
  723   3HG2  THR  91          HG23      THR  91  11.700 -22.479 -16.315
  724    H    GLN  92           H        GLN  92  11.135 -17.306 -15.346
  725    HA   GLN  92           HA       GLN  92  13.456 -16.441 -13.841
  726   1HB   GLN  92          HB2       GLN  92  12.416 -14.333 -13.737
  727   2HB   GLN  92          HB3       GLN  92  12.040 -14.935 -15.330
  728   1HG   GLN  92          HG2       GLN  92  10.128 -14.904 -12.945
  729   2HG   GLN  92          HG3       GLN  92  10.209 -13.705 -14.211
  730   1HE2  GLN  92          HE22      GLN  92   7.729 -14.541 -13.992
  731   2HE2  GLN  92          HE21      GLN  92   7.352 -15.812 -15.109
  732    HA   PRO  93           HA       PRO  93  12.405 -17.963  -9.848
  733   1HB   PRO  93          HB2       PRO  93  12.470 -15.105  -8.834
  734   2HB   PRO  93          HB3       PRO  93  13.212 -16.567  -8.111
  735   1HG   PRO  93          HG2       PRO  93  14.719 -14.839  -9.557
  736   2HG   PRO  93          HG3       PRO  93  14.923 -16.609  -9.786
  737   1HD   PRO  93          HD2       PRO  93  13.411 -14.635 -11.497
  738   2HD   PRO  93          HD3       PRO  93  14.463 -15.997 -11.993
  739    H    ILE  94           H        ILE  94  10.448 -18.667  -9.047
  740    HA   ILE  94           HA       ILE  94   8.146 -16.778  -9.167
  741    HB   ILE  94           HB       ILE  94   8.249 -19.761  -9.796
  742   1HG1  ILE  94          HG12      ILE  94   8.470 -17.356 -11.399
  743   2HG1  ILE  94          HG13      ILE  94   8.617 -19.011 -11.875
  744   1HG2  ILE  94          HG21      ILE  94   6.277 -19.372  -8.455
  745   2HG2  ILE  94          HG22      ILE  94   5.821 -17.960  -9.417
  746   3HG2  ILE  94          HG23      ILE  94   5.800 -19.600 -10.124
  747   1HD1  ILE  94          HD11      ILE  94   6.360 -19.127 -12.588
  748   2HD1  ILE  94          HD12      ILE  94   5.914 -17.648 -11.692
  749   3HD1  ILE  94          HD13      ILE  94   6.954 -17.515 -13.077
  750    H    PHE  95           H        PHE  95   7.553 -16.163  -7.239
  751    HA   PHE  95           HA       PHE  95   7.945 -17.830  -4.835
  752   1HB   PHE  95          HB2       PHE  95   6.430 -15.218  -5.324
  753   2HB   PHE  95          HB3       PHE  95   6.676 -15.977  -3.758
  754    HD1  PHE  95           HD1      PHE  95   9.116 -16.311  -2.934
  755    HD2  PHE  95           HD2      PHE  95   8.059 -13.636  -6.164
  756    HE1  PHE  95           HE1      PHE  95  11.264 -15.099  -2.654
  757    HE2  PHE  95           HE2      PHE  95  10.200 -12.451  -5.872
  758    HZ   PHE  95           HZ       PHE  95  11.806 -13.168  -4.121
  759    H    VAL  96           H        VAL  96   6.220 -19.180  -4.048
  760    HA   VAL  96           HA       VAL  96   3.619 -18.932  -5.483
  761    HB   VAL  96           HB       VAL  96   4.799 -21.497  -4.366
  762   1HG1  VAL  96          HG11      VAL  96   2.879 -22.550  -5.518
  763   2HG1  VAL  96          HG12      VAL  96   2.289 -21.358  -4.349
  764   3HG1  VAL  96          HG13      VAL  96   2.321 -20.974  -6.072
  765   1HG2  VAL  96          HG21      VAL  96   6.049 -20.879  -6.384
  766   2HG2  VAL  96          HG22      VAL  96   4.964 -22.226  -6.737
  767   3HG2  VAL  96          HG23      VAL  96   4.532 -20.586  -7.265
  768    H    ASP  97           H        ASP  97   1.909 -18.656  -4.209
  769    HA   ASP  97           HA       ASP  97   2.555 -17.967  -1.396
  770   1HB   ASP  97          HB2       ASP  97   1.917 -16.178  -3.119
  771   2HB   ASP  97          HB3       ASP  97   0.287 -16.860  -3.082
  772    H    SER  98           H        SER  98   1.109 -18.740   0.254
  773    HA   SER  98           HA       SER  98  -0.313 -21.158  -0.335
  774   1HB   SER  98          HB2       SER  98  -0.491 -19.397   2.138
  775   2HB   SER  98          HB3       SER  98  -0.931 -21.112   1.997
  776    HG   SER  98           HG       SER  98   1.133 -20.889   2.896
  777    H    ASP  99           H        ASP  99  -1.269 -17.716  -0.152
  778    HA   ASP  99           HA       ASP  99  -3.728 -18.314  -1.490
  779   1HB   ASP  99          HB2       ASP  99  -4.468 -18.984   0.800
  780   2HB   ASP  99          HB3       ASP  99  -4.109 -17.353   1.366
  781    H    HIS 100           H        HIS 100  -1.912 -15.896   0.475
  782    HA   HIS 100           HA       HIS 100  -2.340 -13.815  -1.463
  783   1HB   HIS 100          HB2       HIS 100  -3.749 -12.328  -0.064
  784   2HB   HIS 100          HB3       HIS 100  -4.604 -13.781  -0.516
  785    HD1  HIS 100           HD1      HIS 100  -5.610 -15.196   1.465
  786    HD2  HIS 100           HD2      HIS 100  -2.684 -12.396   2.620
  787    HE1  HIS 100           HE1      HIS 100  -5.599 -15.170   4.013
  788    H    ALA 101           H        ALA 101  -0.247 -15.011   0.773
  789    HA   ALA 101           HA       ALA 101   0.049 -13.138   2.828
  790   1HB   ALA 101          HB1       ALA 101   2.211 -14.810   1.472
  791   2HB   ALA 101          HB2       ALA 101   2.334 -14.036   3.063
  792   3HB   ALA 101          HB3       ALA 101   1.150 -15.335   2.798
  793    H    LEU 102           H        LEU 102   1.977 -13.138  -0.258
  794    HA   LEU 102           HA       LEU 102   3.305 -10.643   0.435
  795   1HB   LEU 102          HB2       LEU 102   4.013 -12.468  -1.262
  796   2HB   LEU 102          HB3       LEU 102   2.872 -11.731  -2.365
  797    HG   LEU 102           HG       LEU 102   5.456 -10.484  -1.241
  798   1HD1  LEU 102          HD11      LEU 102   6.075 -10.533  -3.638
  799   2HD1  LEU 102          HD12      LEU 102   5.695 -12.154  -3.034
  800   3HD1  LEU 102          HD13      LEU 102   4.511 -11.275  -4.022
  801   1HD2  LEU 102          HD21      LEU 102   4.027  -8.595  -1.395
  802   2HD2  LEU 102          HD22      LEU 102   4.962  -8.603  -2.880
  803   3HD2  LEU 102          HD23      LEU 102   3.277  -9.168  -2.897
  804    H    THR 103           H        THR 103   0.297 -11.491  -1.258
  805    HA   THR 103           HA       THR 103  -0.186  -8.919  -2.431
  806    HB   THR 103           HB       THR 103  -1.792 -11.393  -1.879
  807    HG1  THR 103           HG1      THR 103  -0.443 -11.533  -3.607
  808   1HG2  THR 103          HG21      THR 103  -3.604 -10.515  -3.317
  809   2HG2  THR 103          HG22      THR 103  -3.513  -9.729  -1.732
  810   3HG2  THR 103          HG23      THR 103  -2.878  -8.903  -3.166
  811    H    ASP 104           H        ASP 104  -0.788 -10.274   0.822
  812    HA   ASP 104           HA       ASP 104  -2.539  -8.032   1.570
  813   1HB   ASP 104          HB2       ASP 104  -2.946 -10.201   2.526
  814   2HB   ASP 104          HB3       ASP 104  -1.277 -10.340   3.091
  815    H    ALA 105           H        ALA 105   0.885  -8.740   1.519
  816    HA   ALA 105           HA       ALA 105   1.602  -7.057   3.764
  817   1HB   ALA 105          HB1       ALA 105   3.911  -7.495   3.049
  818   2HB   ALA 105          HB2       ALA 105   2.993  -9.014   2.993
  819   3HB   ALA 105          HB3       ALA 105   3.352  -8.124   1.490
  820    H    PHE 106           H        PHE 106   1.062  -6.605   0.356
  821    HA   PHE 106           HA       PHE 106   1.635  -3.711   0.663
  822   1HB   PHE 106          HB2       PHE 106   2.958  -3.570  -1.135
  823   2HB   PHE 106          HB3       PHE 106   3.534  -4.961  -0.293
  824    HD1  PHE 106           HD1      PHE 106   0.986  -6.643  -1.801
  825    HD2  PHE 106           HD2      PHE 106   4.504  -4.377  -2.853
  826    HE1  PHE 106           HE1      PHE 106   1.060  -7.726  -4.030
  827    HE2  PHE 106           HE2      PHE 106   4.470  -5.360  -5.118
  828    HZ   PHE 106           HZ       PHE 106   2.673  -6.935  -5.729
  829    H    GLU 107           H        GLU 107  -0.771  -5.556   0.590
  830    HA   GLU 107           HA       GLU 107  -2.881  -5.646  -0.188
  831   1HB   GLU 107          HB2       GLU 107  -2.328  -2.701   0.138
  832   2HB   GLU 107          HB3       GLU 107  -3.961  -3.385  -0.032
  833   1HG   GLU 107          HG2       GLU 107  -3.551  -4.807   1.968
  834   2HG   GLU 107          HG3       GLU 107  -1.970  -4.047   2.175
  835    H    ASN 108           H        ASN 108  -1.531  -6.362  -2.339
  836    HA   ASN 108           HA       ASN 108  -2.046  -4.883  -4.699
  837   1HB   ASN 108          HB2       ASN 108  -0.530  -6.532  -5.097
  838   2HB   ASN 108          HB3       ASN 108  -1.239  -7.640  -3.950
  839   1HD2  ASN 108          HD22      ASN 108  -1.615  -9.568  -5.090
  840   2HD2  ASN 108          HD21      ASN 108  -2.605  -9.580  -6.539
  841    H    GLU 109           H        GLU 109  -3.943  -7.557  -3.249
  842    HA   GLU 109           HA       GLU 109  -6.045  -8.190  -3.335
  843   1HB   GLU 109          HB2       GLU 109  -6.683  -5.281  -3.935
  844   2HB   GLU 109          HB3       GLU 109  -7.822  -6.488  -3.365
  845   1HG   GLU 109          HG2       GLU 109  -5.389  -5.516  -1.810
  846   2HG   GLU 109          HG3       GLU 109  -7.049  -5.006  -1.564
  847    H    TYR 110           H        TYR 110  -4.589  -7.586  -6.247
  848    HA   TYR 110           HA       TYR 110  -6.945  -8.742  -7.698
  849   1HB   TYR 110          HB2       TYR 110  -4.878  -6.800  -8.786
  850   2HB   TYR 110          HB3       TYR 110  -6.202  -7.509  -9.691
  851    HD1  TYR 110           HD1      TYR 110  -5.204  -4.821  -7.540
  852    HD2  TYR 110           HD2      TYR 110  -8.624  -6.961  -9.036
  853    HE1  TYR 110           HE1      TYR 110  -6.660  -2.897  -6.929
  854    HE2  TYR 110           HE2      TYR 110 -10.096  -5.065  -8.430
  855    HH   TYR 110           HH       TYR 110 -10.215  -2.930  -7.502
  856    H    VAL 111           H        VAL 111  -5.969  -9.499  -9.999
  857    HA   VAL 111           HA       VAL 111  -3.405 -10.834  -9.677
  858    HB   VAL 111           HB       VAL 111  -5.612 -12.488 -10.902
  859   1HG1  VAL 111          HG11      VAL 111  -3.272 -13.183 -11.409
  860   2HG1  VAL 111          HG12      VAL 111  -2.852 -13.077  -9.697
  861   3HG1  VAL 111          HG13      VAL 111  -3.982 -14.316 -10.259
  862   1HG2  VAL 111          HG21      VAL 111  -5.658 -13.785  -8.780
  863   2HG2  VAL 111          HG22      VAL 111  -4.712 -12.507  -8.001
  864   3HG2  VAL 111          HG23      VAL 111  -6.355 -12.178  -8.604
  865    HA   PRO 112           HA       PRO 112  -1.748 -10.701 -13.694
  866   1HB   PRO 112          HB2       PRO 112  -3.362  -9.467 -15.640
  867   2HB   PRO 112          HB3       PRO 112  -2.762 -11.143 -15.539
  868   1HG   PRO 112          HG2       PRO 112  -5.381 -10.047 -14.483
  869   2HG   PRO 112          HG3       PRO 112  -5.102 -11.548 -15.430
  870   1HD   PRO 112          HD2       PRO 112  -5.384 -11.730 -12.842
  871   2HD   PRO 112          HD3       PRO 112  -3.997 -12.599 -13.561
  872    H    ALA 113           H        ALA 113  -1.067  -9.452 -11.834
  873    HA   ALA 113           HA       ALA 113  -1.528  -6.520 -12.142
  874   1HB   ALA 113          HB1       ALA 113  -1.316  -8.086  -9.533
  875   2HB   ALA 113          HB2       ALA 113  -1.430  -6.325  -9.698
  876   3HB   ALA 113          HB3       ALA 113  -2.796  -7.342 -10.185
  877    H    TYR 114           H        TYR 114   0.308  -5.247 -11.744
  878    HA   TYR 114           HA       TYR 114   2.894  -6.718 -11.709
  879   1HB   TYR 114          HB2       TYR 114   2.450  -4.463 -13.607
  880   2HB   TYR 114          HB3       TYR 114   3.474  -5.881 -13.778
  881    HD1  TYR 114           HD1      TYR 114   2.044  -8.205 -14.086
  882    HD2  TYR 114           HD2      TYR 114   0.598  -4.243 -14.944
  883    HE1  TYR 114           HE1      TYR 114   0.281  -9.164 -15.550
  884    HE2  TYR 114           HE2      TYR 114  -1.148  -5.179 -16.415
  885    HH   TYR 114           HH       TYR 114  -2.081  -7.070 -17.289
  886    H    TYR 115           H        TYR 115   4.576  -5.539 -10.815
  887    HA   TYR 115           HA       TYR 115   4.058  -2.756  -9.883
  888   1HB   TYR 115          HB2       TYR 115   5.015  -5.100  -8.185
  889   2HB   TYR 115          HB3       TYR 115   4.975  -3.412  -7.684
  890    HD1  TYR 115           HD1      TYR 115   2.843  -6.342  -8.593
  891    HD2  TYR 115           HD2      TYR 115   2.979  -2.386  -6.883
  892    HE1  TYR 115           HE1      TYR 115   0.474  -6.574  -7.865
  893    HE2  TYR 115           HE2      TYR 115   0.614  -2.629  -6.142
  894    HH   TYR 115           HH       TYR 115  -1.328  -3.785  -6.504
  895    H    VAL 116           H        VAL 116   5.774  -1.525 -10.528
  896    HA   VAL 116           HA       VAL 116   8.301  -2.940 -11.241
  897    HB   VAL 116           HB       VAL 116   7.546  -0.216 -12.309
  898   1HG1  VAL 116          HG11      VAL 116   9.830  -1.172 -12.663
  899   2HG1  VAL 116          HG12      VAL 116   9.107  -2.566 -13.491
  900   3HG1  VAL 116          HG13      VAL 116   8.958  -0.935 -14.185
  901   1HG2  VAL 116          HG21      VAL 116   6.539  -2.828 -13.507
  902   2HG2  VAL 116          HG22      VAL 116   5.549  -1.477 -12.929
  903   3HG2  VAL 116          HG23      VAL 116   6.569  -1.268 -14.352
  904    H    PHE 117           H        PHE 117  10.148  -2.243 -10.239
  905    HA   PHE 117           HA       PHE 117   9.956  -0.019  -8.267
  906   1HB   PHE 117          HB2       PHE 117  11.219  -2.782  -7.940
  907   2HB   PHE 117          HB3       PHE 117  11.465  -1.446  -6.844
  908    HD1  PHE 117           HD1      PHE 117   8.814  -3.694  -8.245
  909    HD2  PHE 117           HD2      PHE 117   9.905  -0.993  -5.062
  910    HE1  PHE 117           HE1      PHE 117   6.910  -4.489  -6.905
  911    HE2  PHE 117           HE2      PHE 117   7.946  -1.720  -3.773
  912    HZ   PHE 117           HZ       PHE 117   6.449  -3.512  -4.663
  913    H    ASP 118           H        ASP 118  11.763   1.158  -8.013
  914    HA   ASP 118           HA       ASP 118  13.509   1.557 -10.264
  915   1HB   ASP 118          HB2       ASP 118  12.501   3.129  -8.387
  916   2HB   ASP 118          HB3       ASP 118  13.880   2.596  -7.460
  917    H    LYS 119           H        LYS 119  16.000   1.805  -9.694
  918    HA   LYS 119           HA       LYS 119  17.060  -0.809  -8.933
  919   1HB   LYS 119          HB2       LYS 119  19.253   0.291  -9.170
  920   2HB   LYS 119          HB3       LYS 119  18.241   0.412 -10.607
  921   1HG   LYS 119          HG2       LYS 119  18.011   2.678 -10.468
  922   2HG   LYS 119          HG3       LYS 119  18.082   2.733  -8.708
  923   1HD   LYS 119          HD2       LYS 119  20.547   2.089 -10.382
  924   2HD   LYS 119          HD3       LYS 119  20.033   3.745 -10.005
  925   1HE   LYS 119          HE2       LYS 119  20.066   3.233  -7.577
  926   2HE   LYS 119          HE3       LYS 119  20.633   1.597  -7.906
  927   1HZ   LYS 119          HZ1       LYS 119  22.421   3.189  -7.344
  928   2HZ   LYS 119          HZ2       LYS 119  22.661   2.532  -8.816
  929   3HZ   LYS 119          HZ3       LYS 119  22.095   4.065  -8.698
  930    H    THR 120           H        THR 120  15.975   1.805  -7.021
  931    HA   THR 120           HA       THR 120  17.744   1.282  -4.746
  932    HB   THR 120           HB       THR 120  16.271   3.079  -3.760
  933    HG1  THR 120           HG1      THR 120  14.754   4.007  -5.196
  934   1HG2  THR 120          HG21      THR 120  18.269   3.697  -5.176
  935   2HG2  THR 120          HG22      THR 120  17.171   3.803  -6.577
  936   3HG2  THR 120          HG23      THR 120  16.953   4.898  -5.197
  937    H    GLY 121           H        GLY 121  15.070  -0.205  -6.143
  938   1HA   GLY 121          HA2       GLY 121  13.580  -1.798  -5.432
  939   2HA   GLY 121          HA3       GLY 121  14.316  -1.783  -3.813
  940    H    GLN 122           H        GLN 122  13.239   1.230  -5.259
  941    HA   GLN 122           HA       GLN 122  11.013   1.373  -3.297
  942   1HB   GLN 122          HB2       GLN 122  12.507   3.625  -4.710
  943   2HB   GLN 122          HB3       GLN 122  11.234   3.792  -3.503
  944   1HG   GLN 122          HG2       GLN 122  14.070   2.795  -3.118
  945   2HG   GLN 122          HG3       GLN 122  13.321   4.205  -2.402
  946   1HE2  GLN 122          HE22      GLN 122  14.196   0.937  -1.941
  947   2HE2  GLN 122          HE21      GLN 122  13.266   0.633  -0.489
  948    H    LEU 123           H        LEU 123   8.980   1.652  -4.067
  949    HA   LEU 123           HA       LEU 123   8.427   0.580  -6.580
  950   1HB   LEU 123          HB2       LEU 123   6.905   0.598  -4.558
  951   2HB   LEU 123          HB3       LEU 123   6.584   2.304  -4.857
  952    HG   LEU 123           HG       LEU 123   5.707   1.660  -7.145
  953   1HD1  LEU 123          HD11      LEU 123   6.825  -0.677  -7.207
  954   2HD1  LEU 123          HD12      LEU 123   5.689  -1.157  -5.952
  955   3HD1  LEU 123          HD13      LEU 123   5.091  -0.695  -7.548
  956   1HD2  LEU 123          HD21      LEU 123   4.311   0.626  -4.689
  957   2HD2  LEU 123          HD22      LEU 123   4.116   2.189  -5.488
  958   3HD2  LEU 123          HD23      LEU 123   3.544   0.725  -6.293
  959    H    ARG 124           H        ARG 124   7.932   1.349  -8.607
  960    HA   ARG 124           HA       ARG 124   7.967   4.322  -9.017
  961   1HB   ARG 124          HB2       ARG 124   8.814   1.975 -10.764
  962   2HB   ARG 124          HB3       ARG 124   8.336   3.499 -11.493
  963   1HG   ARG 124          HG2       ARG 124  10.501   3.341  -9.372
  964   2HG   ARG 124          HG3       ARG 124  10.831   3.148 -11.098
  965   1HD   ARG 124          HD2       ARG 124   9.781   5.367 -11.537
  966   2HD   ARG 124          HD3       ARG 124   9.598   5.616  -9.793
  967    HE   ARG 124           HE       ARG 124  12.205   5.189  -9.816
  968   1HH1  ARG 124          HH21      ARG 124  10.399   7.181 -12.150
  969   2HH1  ARG 124          HH22      ARG 124  11.795   8.091 -12.631
  970   1HH2  ARG 124          HH11      ARG 124  13.919   6.367 -10.309
  971   2HH2  ARG 124          HH12      ARG 124  13.870   7.680 -11.469
  972    H    HIS 125           H        HIS 125   6.313   1.229  -9.968
  973    HA   HIS 125           HA       HIS 125   3.879   2.826 -10.568
  974   1HB   HIS 125          HB2       HIS 125   5.160   0.908 -12.563
  975   2HB   HIS 125          HB3       HIS 125   3.660   1.793 -12.788
  976    HD1  HIS 125           HD1      HIS 125   4.511   4.755 -12.245
  977    HD2  HIS 125           HD2      HIS 125   6.884   1.863 -14.157
  978    HE1  HIS 125           HE1      HIS 125   6.171   6.043 -13.666
  979    H    PHE 126           H        PHE 126   1.995   1.537 -10.830
  980    HA   PHE 126           HA       PHE 126   2.133  -1.362 -10.397
  981   1HB   PHE 126          HB2       PHE 126   1.490  -0.900  -8.220
  982   2HB   PHE 126          HB3       PHE 126   0.807   0.663  -8.625
  983    HD1  PHE 126           HD1      PHE 126   0.094  -2.981  -9.380
  984    HD2  PHE 126           HD2      PHE 126  -1.495   0.937  -8.533
  985    HE1  PHE 126           HE1      PHE 126  -2.204  -3.896  -9.457
  986    HE2  PHE 126           HE2      PHE 126  -3.799   0.012  -8.595
  987    HZ   PHE 126           HZ       PHE 126  -4.160  -2.407  -9.062
  988    H    GLN 127           H        GLN 127   0.656  -2.347 -11.780
  989    HA   GLN 127           HA       GLN 127  -1.681  -0.916 -12.782
  990   1HB   GLN 127          HB2       GLN 127   0.437  -2.064 -14.643
  991   2HB   GLN 127          HB3       GLN 127  -1.224  -1.749 -15.134
  992   1HG   GLN 127          HG2       GLN 127   0.728   0.412 -14.228
  993   2HG   GLN 127          HG3       GLN 127   0.397  -0.024 -15.891
  994   1HE2  GLN 127          HE22      GLN 127  -1.003   1.493 -12.996
  995   2HE2  GLN 127          HE21      GLN 127  -2.337   2.276 -13.831
  996    H    ALA 128           H        ALA 128  -2.976  -2.611 -14.173
  997    HA   ALA 128           HA       ALA 128  -2.311  -5.384 -13.749
  998   1HB   ALA 128          HB1       ALA 128  -3.415  -4.818 -11.606
  999   2HB   ALA 128          HB2       ALA 128  -4.801  -4.147 -12.495
 1000   3HB   ALA 128          HB3       ALA 128  -4.451  -5.897 -12.570
 1001    H    GLY 129           H        GLY 129  -3.898  -6.788 -14.943
 1002   1HA   GLY 129          HA2       GLY 129  -4.981  -7.302 -16.901
 1003   2HA   GLY 129          HA3       GLY 129  -5.954  -5.848 -16.635
 1004    H    GLY 130           H        GLY 130  -5.941  -4.676 -18.474
 1005   1HA   GLY 130          HA2       GLY 130  -5.011  -3.080 -19.894
 1006   2HA   GLY 130          HA3       GLY 130  -3.392  -3.742 -19.637
 1007    H    SER 131           H        SER 131  -4.667  -3.104 -22.194
 1008    HA   SER 131           HA       SER 131  -5.791  -5.236 -23.560
 1009   1HB   SER 131          HB2       SER 131  -3.938  -3.111 -24.709
 1010   2HB   SER 131          HB3       SER 131  -5.229  -3.987 -25.554
 1011    HG   SER 131           HG       SER 131  -5.885  -1.894 -24.874
 1012    H    GLY 132           H        GLY 132  -4.934  -7.261 -23.537
 1013   1HA   GLY 132          HA2       GLY 132  -3.451  -8.991 -23.559
 1014   2HA   GLY 132          HA3       GLY 132  -2.657  -8.157 -24.899
 1015    H    MET 133           H        MET 133  -2.911  -6.876 -21.569
 1016    HA   MET 133           HA       MET 133  -1.392  -6.085 -20.139
 1017   1HB   MET 133          HB2       MET 133  -1.318  -8.358 -19.539
 1018   2HB   MET 133          HB3       MET 133  -0.196  -8.785 -20.819
 1019   1HG   MET 133          HG2       MET 133   0.671  -6.889 -18.636
 1020   2HG   MET 133          HG3       MET 133   0.539  -8.618 -18.348
 1021   1HE   MET 133          HE1       MET 133   2.654 -10.094 -18.423
 1022   2HE   MET 133          HE2       MET 133   4.145  -9.182 -18.573
 1023   3HE   MET 133          HE3       MET 133   2.852  -8.604 -17.489
 1024    H    LYS 134           H        LYS 134  -0.771  -5.642 -23.284
 1025    HA   LYS 134           HA       LYS 134   1.965  -5.437 -23.669
 1026   1HB   LYS 134          HB2       LYS 134  -0.430  -4.003 -24.839
 1027   2HB   LYS 134          HB3       LYS 134   1.159  -3.446 -25.295
 1028   1HG   LYS 134          HG2       LYS 134   0.774  -6.413 -25.468
 1029   2HG   LYS 134          HG3       LYS 134  -0.197  -5.446 -26.570
 1030   1HD   LYS 134          HD2       LYS 134   1.960  -6.176 -27.558
 1031   2HD   LYS 134          HD3       LYS 134   1.720  -4.425 -27.575
 1032   1HE   LYS 134          HE2       LYS 134   3.223  -4.169 -25.625
 1033   2HE   LYS 134          HE3       LYS 134   3.420  -5.919 -25.532
 1034   1HZ   LYS 134          HZ1       LYS 134   4.470  -5.856 -27.711
 1035   2HZ   LYS 134          HZ2       LYS 134   4.299  -4.228 -27.794
 1036   3HZ   LYS 134          HZ3       LYS 134   5.270  -4.895 -26.653
 1037    H    MET 135           H        MET 135  -0.092  -2.943 -22.197
 1038    HA   MET 135           HA       MET 135   1.846  -0.895 -22.166
 1039   1HB   MET 135          HB2       MET 135   0.422   0.054 -20.264
 1040   2HB   MET 135          HB3       MET 135  -0.332  -0.231 -21.815
 1041   1HG   MET 135          HG2       MET 135  -1.985  -1.119 -20.701
 1042   2HG   MET 135          HG3       MET 135  -1.032  -2.573 -20.585
 1043   1HE   MET 135          HE1       MET 135   0.001  -3.504 -18.561
 1044   2HE   MET 135          HE2       MET 135   0.980  -2.142 -17.939
 1045   3HE   MET 135          HE3       MET 135  -0.218  -2.926 -16.900
 1046    H    LEU 136           H        LEU 136   1.920  -3.803 -20.214
 1047    HA   LEU 136           HA       LEU 136   3.410  -2.571 -18.068
 1048   1HB   LEU 136          HB2       LEU 136   2.337  -4.804 -17.810
 1049   2HB   LEU 136          HB3       LEU 136   3.444  -5.468 -19.019
 1050    HG   LEU 136           HG       LEU 136   5.393  -4.909 -17.557
 1051   1HD1  LEU 136          HD11      LEU 136   3.247  -3.844 -15.682
 1052   2HD1  LEU 136          HD12      LEU 136   4.884  -4.283 -15.139
 1053   3HD1  LEU 136          HD13      LEU 136   4.671  -2.990 -16.306
 1054   1HD2  LEU 136          HD21      LEU 136   4.513  -7.075 -17.412
 1055   2HD2  LEU 136          HD22      LEU 136   4.886  -6.568 -15.769
 1056   3HD2  LEU 136          HD23      LEU 136   3.199  -6.577 -16.338
 1057    H    GLU 137           H        GLU 137   4.260  -4.051 -21.216
 1058    HA   GLU 137           HA       GLU 137   7.063  -4.138 -20.885
 1059   1HB   GLU 137          HB2       GLU 137   5.556  -5.021 -22.821
 1060   2HB   GLU 137          HB3       GLU 137   5.680  -3.365 -23.486
 1061   1HG   GLU 137          HG2       GLU 137   8.106  -3.569 -23.616
 1062   2HG   GLU 137          HG3       GLU 137   8.080  -5.102 -22.734
 1063    H    LYS 138           H        LYS 138   4.859  -1.472 -21.759
 1064    HA   LYS 138           HA       LYS 138   7.027   0.408 -22.247
 1065   1HB   LYS 138          HB2       LYS 138   4.019   0.657 -21.981
 1066   2HB   LYS 138          HB3       LYS 138   5.065   2.095 -22.026
 1067   1HG   LYS 138          HG2       LYS 138   6.057   1.463 -24.101
 1068   2HG   LYS 138          HG3       LYS 138   5.292  -0.155 -24.073
 1069   1HD   LYS 138          HD2       LYS 138   4.134   1.237 -25.670
 1070   2HD   LYS 138          HD3       LYS 138   3.059   0.902 -24.302
 1071   1HE   LYS 138          HE2       LYS 138   3.550   3.152 -23.363
 1072   2HE   LYS 138          HE3       LYS 138   4.675   3.469 -24.690
 1073   1HZ   LYS 138          HZ1       LYS 138   2.520   4.472 -25.095
 1074   2HZ   LYS 138          HZ2       LYS 138   2.801   3.333 -26.225
 1075   3HZ   LYS 138          HZ3       LYS 138   1.758   3.036 -25.001
 1076    H    ARG 139           H        ARG 139   4.960  -0.270 -19.331
 1077    HA   ARG 139           HA       ARG 139   6.145   1.976 -17.936
 1078   1HB   ARG 139          HB2       ARG 139   4.980  -0.563 -16.703
 1079   2HB   ARG 139          HB3       ARG 139   5.354   0.933 -15.861
 1080   1HG   ARG 139          HG2       ARG 139   3.103   0.358 -17.764
 1081   2HG   ARG 139          HG3       ARG 139   3.030   0.956 -16.113
 1082   1HD   ARG 139          HD2       ARG 139   3.760   2.450 -18.640
 1083   2HD   ARG 139          HD3       ARG 139   2.421   2.777 -17.531
 1084    HE   ARG 139           HE       ARG 139   4.657   3.140 -15.959
 1085   1HH1  ARG 139          HH22      ARG 139   3.397   4.639 -18.911
 1086   2HH1  ARG 139          HH21      ARG 139   4.422   6.021 -18.826
 1087   1HH2  ARG 139          HH11      ARG 139   6.136   4.896 -15.912
 1088   2HH2  ARG 139          HH12      ARG 139   5.964   6.210 -17.031
 1089    H    VAL 140           H        VAL 140   7.086  -1.420 -18.259
 1090    HA   VAL 140           HA       VAL 140   9.300  -1.379 -16.417
 1091    HB   VAL 140           HB       VAL 140   8.782  -2.891 -19.009
 1092   1HG1  VAL 140          HG11      VAL 140  11.181  -2.934 -18.632
 1093   2HG1  VAL 140          HG12      VAL 140  10.935  -3.450 -16.948
 1094   3HG1  VAL 140          HG13      VAL 140  10.468  -4.511 -18.305
 1095   1HG2  VAL 140          HG21      VAL 140   8.123  -4.763 -17.583
 1096   2HG2  VAL 140          HG22      VAL 140   8.654  -3.905 -16.115
 1097   3HG2  VAL 140          HG23      VAL 140   7.225  -3.363 -16.989
 1098    H    ASN 141           H        ASN 141   8.953  -0.721 -19.974
 1099    HA   ASN 141           HA       ASN 141  11.676  -0.212 -20.199
 1100   1HB   ASN 141          HB2       ASN 141   9.344   0.326 -22.009
 1101   2HB   ASN 141          HB3       ASN 141  10.801   1.259 -22.313
 1102   1HD2  ASN 141          HD21      ASN 141   9.593  -2.093 -22.055
 1103   2HD2  ASN 141          HD22      ASN 141  10.921  -2.792 -22.986
 1104    H    ARG 142           H        ARG 142   9.045   1.975 -19.294
 1105    HA   ARG 142           HA       ARG 142  10.580   4.410 -19.502
 1106   1HB   ARG 142          HB2       ARG 142   8.110   3.674 -17.912
 1107   2HB   ARG 142          HB3       ARG 142   8.781   5.289 -18.002
 1108   1HG   ARG 142          HG2       ARG 142   6.846   4.157 -19.647
 1109   2HG   ARG 142          HG3       ARG 142   7.611   5.730 -19.801
 1110   1HD   ARG 142          HD2       ARG 142   8.570   3.242 -21.259
 1111   2HD   ARG 142          HD3       ARG 142   7.424   4.377 -21.910
 1112    HE   ARG 142           HE       ARG 142   9.506   6.007 -21.177
 1113   1HH1  ARG 142          HH21      ARG 142   9.189   3.213 -23.336
 1114   2HH1  ARG 142          HH22      ARG 142  10.560   3.617 -24.300
 1115   1HH2  ARG 142          HH11      ARG 142  11.325   6.566 -22.476
 1116   2HH2  ARG 142          HH12      ARG 142  11.786   5.577 -23.806
 1117    H    VAL 143           H        VAL 143  10.083   2.034 -16.819
 1118    HA   VAL 143           HA       VAL 143  11.749   3.519 -15.013
 1119    HB   VAL 143           HB       VAL 143  10.995   0.587 -15.118
 1120   1HG1  VAL 143          HG11      VAL 143  13.088   0.790 -13.880
 1121   2HG1  VAL 143          HG12      VAL 143  12.433   2.127 -12.913
 1122   3HG1  VAL 143          HG13      VAL 143  11.757   0.485 -12.756
 1123   1HG2  VAL 143          HG21      VAL 143   9.120   2.124 -14.707
 1124   2HG2  VAL 143          HG22      VAL 143   9.522   1.282 -13.208
 1125   3HG2  VAL 143          HG23      VAL 143  10.037   2.964 -13.452
 1126    H    LEU 144           H        LEU 144  12.523   1.252 -17.691
 1127    HA   LEU 144           HA       LEU 144  15.313   0.971 -16.927
 1128   1HB   LEU 144          HB2       LEU 144  14.198   0.837 -19.765
 1129   2HB   LEU 144          HB3       LEU 144  15.763   0.282 -19.207
 1130    HG   LEU 144           HG       LEU 144  13.063  -0.944 -18.611
 1131   1HD1  LEU 144          HD11      LEU 144  13.957  -2.871 -19.784
 1132   2HD1  LEU 144          HD12      LEU 144  14.057  -1.426 -20.805
 1133   3HD1  LEU 144          HD13      LEU 144  15.518  -2.047 -20.006
 1134   1HD2  LEU 144          HD21      LEU 144  14.241  -2.674 -17.328
 1135   2HD2  LEU 144          HD22      LEU 144  15.744  -1.719 -17.413
 1136   3HD2  LEU 144          HD23      LEU 144  14.311  -1.097 -16.552
 1137    H    ALA 145           H        ALA 145  13.507   3.162 -19.043
 1138    HA   ALA 145           HA       ALA 145  15.669   4.726 -19.960
 1139   1HB   ALA 145          HB1       ALA 145  12.754   5.536 -19.524
 1140   2HB   ALA 145          HB2       ALA 145  13.928   6.359 -20.570
 1141   3HB   ALA 145          HB3       ALA 145  13.388   4.707 -20.954
 1142    H    GLU 146           H        GLU 146  13.671   4.987 -17.022
 1143    HA   GLU 146           HA       GLU 146  14.824   7.457 -16.081
 1144   1HB   GLU 146          HB2       GLU 146  13.043   5.283 -14.942
 1145   2HB   GLU 146          HB3       GLU 146  13.592   6.608 -13.930
 1146   1HG   GLU 146          HG2       GLU 146  12.110   7.062 -16.562
 1147   2HG   GLU 146          HG3       GLU 146  11.303   6.888 -15.009
 1148    H    THR 147           H        THR 147  15.821   4.086 -15.783
 1149    HA   THR 147           HA       THR 147  17.291   4.294 -13.346
 1150    HB   THR 147           HB       THR 147  17.645   2.452 -15.750
 1151    HG1  THR 147           HG1      THR 147  15.582   2.385 -14.674
 1152   1HG2  THR 147          HG21      THR 147  18.611   2.074 -12.880
 1153   2HG2  THR 147          HG22      THR 147  18.692   0.872 -14.189
 1154   3HG2  THR 147          HG23      THR 147  19.647   2.342 -14.301
 1155    H    GLU 148           H        GLU 148  19.523   4.648 -12.995
 1156    HA   GLU 148           HA       GLU 148  20.742   6.787 -14.345
 1157   1HB   GLU 148          HB2       GLU 148  21.966   4.648 -12.547
 1158   2HB   GLU 148          HB3       GLU 148  22.787   6.119 -13.075
 1159   1HG   GLU 148          HG2       GLU 148  20.992   7.484 -11.982
 1160   2HG   GLU 148          HG3       GLU 148  20.272   5.997 -11.360
  Start of MODEL    9
    1   1H    MET   1           H1       MET   1   0.694   1.359  -1.227
    2   2H    MET   1           H2       MET   1  -0.292   0.917  -2.462
    3   3H    MET   1           H3       MET   1   0.477  -0.227  -1.570
    4    HA   MET   1           HA       MET   1   2.635   0.621  -2.340
    5   1HB   MET   1          HB2       MET   1   0.656  -0.690  -4.146
    6   2HB   MET   1          HB3       MET   1   2.132  -0.087  -4.882
    7   1HG   MET   1          HG2       MET   1   2.559  -1.613  -2.355
    8   2HG   MET   1          HG3       MET   1   1.888  -2.522  -3.700
    9   1HE   MET   1          HE1       MET   1   5.029  -0.616  -2.358
   10   2HE   MET   1          HE2       MET   1   5.189  -2.373  -2.115
   11   3HE   MET   1          HE3       MET   1   6.280  -1.542  -3.224
   12    H    LYS   2           H        LYS   2   2.703   2.927  -1.891
   13    HA   LYS   2           HA       LYS   2   1.891   4.761  -4.062
   14   1HB   LYS   2          HB2       LYS   2   3.570   5.035  -1.525
   15   2HB   LYS   2          HB3       LYS   2   3.579   6.301  -2.745
   16   1HG   LYS   2          HG2       LYS   2   1.046   5.281  -1.442
   17   2HG   LYS   2          HG3       LYS   2   2.001   6.661  -0.858
   18   1HD   LYS   2          HD2       LYS   2   1.640   7.823  -3.027
   19   2HD   LYS   2          HD3       LYS   2   0.608   6.477  -3.565
   20   1HE   LYS   2          HE2       LYS   2  -0.904   6.861  -1.636
   21   2HE   LYS   2          HE3       LYS   2   0.118   8.200  -1.097
   22   1HZ   LYS   2          HZ1       LYS   2  -1.781   8.990  -2.349
   23   2HZ   LYS   2          HZ2       LYS   2  -0.419   9.356  -3.162
   24   3HZ   LYS   2          HZ3       LYS   2  -1.367   8.119  -3.661
   25    H    LEU   3           H        LEU   3   3.415   5.860  -5.326
   26    HA   LEU   3           HA       LEU   3   5.454   4.101  -6.496
   27   1HB   LEU   3          HB2       LEU   3   4.700   6.941  -7.299
   28   2HB   LEU   3          HB3       LEU   3   5.694   5.801  -8.207
   29    HG   LEU   3           HG       LEU   3   2.705   5.671  -7.704
   30   1HD1  LEU   3          HD11      LEU   3   4.369   5.733 -10.259
   31   2HD1  LEU   3          HD12      LEU   3   2.593   5.711 -10.157
   32   3HD1  LEU   3          HD13      LEU   3   3.495   7.106  -9.548
   33   1HD2  LEU   3          HD21      LEU   3   2.786   3.547  -9.109
   34   2HD2  LEU   3          HD22      LEU   3   4.534   3.481  -8.748
   35   3HD2  LEU   3          HD23      LEU   3   3.331   3.399  -7.445
   36    H    ARG   4           H        ARG   4   6.355   4.270  -4.220
   37    HA   ARG   4           HA       ARG   4   8.729   5.930  -4.004
   38   1HB   ARG   4          HB2       ARG   4   6.923   7.509  -3.392
   39   2HB   ARG   4          HB3       ARG   4   6.242   6.329  -2.277
   40   1HG   ARG   4          HG2       ARG   4   7.453   8.013  -1.068
   41   2HG   ARG   4          HG3       ARG   4   8.193   6.420  -0.890
   42   1HD   ARG   4          HD2       ARG   4   9.887   8.242  -1.138
   43   2HD   ARG   4          HD3       ARG   4  10.004   7.007  -2.394
   44    HE   ARG   4           HE       ARG   4   8.401   9.429  -2.972
   45   1HH1  ARG   4          HH21      ARG   4  11.520   7.796  -3.428
   46   2HH1  ARG   4          HH22      ARG   4  11.937   8.681  -4.848
   47   1HH2  ARG   4          HH11      ARG   4   8.953  10.609  -4.860
   48   2HH2  ARG   4          HH12      ARG   4  10.451  10.332  -5.662
   49    H    GLN   5           H        GLN   5   6.429   3.462  -2.668
   50    HA   GLN   5           HA       GLN   5   7.730   3.011  -0.238
   51   1HB   GLN   5          HB2       GLN   5   5.865   1.452  -2.031
   52   2HB   GLN   5          HB3       GLN   5   6.645   0.588  -0.709
   53   1HG   GLN   5          HG2       GLN   5   5.721   2.121   0.946
   54   2HG   GLN   5          HG3       GLN   5   4.979   3.097  -0.334
   55   1HE2  GLN   5          HE22      GLN   5   5.103  -0.460   0.586
   56   2HE2  GLN   5          HE21      GLN   5   3.401  -0.711   0.355
   57    HA   PRO   6           HA       PRO   6  11.172   0.309  -1.451
   58   1HB   PRO   6          HB2       PRO   6  11.583  -1.065   0.883
   59   2HB   PRO   6          HB3       PRO   6  12.080   0.642   0.677
   60   1HG   PRO   6          HG2       PRO   6   9.570  -0.425   1.996
   61   2HG   PRO   6          HG3       PRO   6  10.685   0.843   2.596
   62   1HD   PRO   6          HD2       PRO   6   8.346   1.418   1.291
   63   2HD   PRO   6          HD3       PRO   6   9.800   2.447   1.118
   64    H    MET   7           H        MET   7  11.297  -1.878  -2.115
   65    HA   MET   7           HA       MET   7   8.879  -3.289  -2.541
   66   1HB   MET   7          HB2       MET   7  11.043  -3.395  -3.807
   67   2HB   MET   7          HB3       MET   7  11.721  -4.396  -2.522
   68   1HG   MET   7          HG2       MET   7   9.868  -6.055  -2.935
   69   2HG   MET   7          HG3       MET   7   9.313  -5.022  -4.252
   70   1HE   MET   7          HE1       MET   7  11.303  -4.322  -6.274
   71   2HE   MET   7          HE2       MET   7  12.590  -4.285  -5.037
   72   3HE   MET   7          HE3       MET   7  12.775  -5.317  -6.456
   73    HA   PRO   8           HA       PRO   8   8.558  -5.351   1.480
   74   1HB   PRO   8          HB2       PRO   8   6.624  -7.204   0.977
   75   2HB   PRO   8          HB3       PRO   8   6.272  -5.448   0.966
   76   1HG   PRO   8          HG2       PRO   8   6.953  -7.215  -1.417
   77   2HG   PRO   8          HG3       PRO   8   5.531  -6.147  -1.214
   78   1HD   PRO   8          HD2       PRO   8   7.723  -5.303  -2.539
   79   2HD   PRO   8          HD3       PRO   8   6.844  -4.192  -1.448
   80    H    GLU   9           H        GLU   9   8.615  -7.696   2.388
   81    HA   GLU   9           HA       GLU   9  10.745  -9.285   1.444
   82   1HB   GLU   9          HB2       GLU   9   8.424  -9.729   3.408
   83   2HB   GLU   9          HB3       GLU   9   9.748 -10.871   3.138
   84   1HG   GLU   9          HG2       GLU   9  10.401  -9.603   5.015
   85   2HG   GLU   9          HG3       GLU   9  11.354  -9.078   3.610
   86    H    LEU  10           H        LEU  10  10.682 -10.498  -0.287
   87    HA   LEU  10           HA       LEU  10   8.126 -11.060  -1.552
   88   1HB   LEU  10          HB2       LEU  10  10.874 -12.088  -2.398
   89   2HB   LEU  10          HB3       LEU  10   9.393 -12.092  -3.360
   90    HG   LEU  10           HG       LEU  10  10.961  -9.628  -2.479
   91   1HD1  LEU  10          HD11      LEU  10  12.029 -10.976  -4.274
   92   2HD1  LEU  10          HD12      LEU  10  10.545 -10.832  -5.240
   93   3HD1  LEU  10          HD13      LEU  10  11.498  -9.386  -4.846
   94   1HD2  LEU  10          HD21      LEU  10   8.564  -9.069  -2.596
   95   2HD2  LEU  10          HD22      LEU  10   9.429  -8.360  -3.955
   96   3HD2  LEU  10          HD23      LEU  10   8.455  -9.820  -4.210
   97    H    THR  11           H        THR  11   6.922 -12.915  -1.128
   98    HA   THR  11           HA       THR  11   8.211 -15.247   0.149
   99    HB   THR  11           HB       THR  11   6.256 -14.983   1.884
  100    HG1  THR  11           HG1      THR  11   6.690 -12.245   1.280
  101   1HG2  THR  11          HG21      THR  11   8.630 -13.094   2.140
  102   2HG2  THR  11          HG22      THR  11   7.612 -13.735   3.444
  103   3HG2  THR  11          HG23      THR  11   8.648 -14.832   2.513
  104    H    GLY  12           H        GLY  12   6.816 -17.098   0.299
  105   1HA   GLY  12          HA2       GLY  12   4.131 -17.077  -0.678
  106   2HA   GLY  12          HA3       GLY  12   5.231 -17.918  -1.789
  107    H    GLU  13           H        GLU  13   3.071 -18.977   0.120
  108    HA   GLU  13           HA       GLU  13   4.627 -20.205   2.289
  109   1HB   GLU  13          HB2       GLU  13   1.649 -20.268   1.667
  110   2HB   GLU  13          HB3       GLU  13   2.405 -20.893   3.124
  111   1HG   GLU  13          HG2       GLU  13   2.386 -17.964   2.266
  112   2HG   GLU  13          HG3       GLU  13   1.367 -18.693   3.495
  113    H    LYS  14           H        LYS  14   3.540 -21.187  -0.889
  114    HA   LYS  14           HA       LYS  14   3.470 -24.054  -0.211
  115   1HB   LYS  14          HB2       LYS  14   2.225 -22.993  -2.142
  116   2HB   LYS  14          HB3       LYS  14   3.745 -22.851  -2.991
  117   1HG   LYS  14          HG2       LYS  14   2.525 -25.441  -1.908
  118   2HG   LYS  14          HG3       LYS  14   2.229 -24.827  -3.524
  119   1HD   LYS  14          HD2       LYS  14   4.919 -25.782  -2.465
  120   2HD   LYS  14          HD3       LYS  14   3.834 -26.635  -3.562
  121   1HE   LYS  14          HE2       LYS  14   4.037 -24.660  -5.167
  122   2HE   LYS  14          HE3       LYS  14   5.297 -24.020  -4.108
  123   1HZ   LYS  14          HZ1       LYS  14   5.388 -26.622  -5.552
  124   2HZ   LYS  14          HZ2       LYS  14   6.278 -25.306  -5.905
  125   3HZ   LYS  14          HZ3       LYS  14   6.543 -26.125  -4.518
  126    H    ALA  15           H        ALA  15   5.647 -22.033  -2.230
  127    HA   ALA  15           HA       ALA  15   8.063 -22.534  -0.944
  128   1HB   ALA  15          HB1       ALA  15   7.795 -24.937  -1.748
  129   2HB   ALA  15          HB2       ALA  15   7.629 -24.310  -3.406
  130   3HB   ALA  15          HB3       ALA  15   9.149 -24.126  -2.519
  131    H    TRP  16           H        TRP  16   9.885 -22.116  -2.680
  132    HA   TRP  16           HA       TRP  16   9.166 -19.952  -4.565
  133   1HB   TRP  16          HB2       TRP  16  11.544 -19.894  -4.980
  134   2HB   TRP  16          HB3       TRP  16  11.235 -19.769  -3.257
  135    HD1  TRP  16           HD1      TRP  16  12.253 -21.671  -1.708
  136    HE1  TRP  16           HE1      TRP  16  13.867 -23.607  -2.096
  137    HE3  TRP  16           HE3      TRP  16  12.219 -21.666  -6.775
  138    HZ2  TRP  16           HZ2      TRP  16  15.020 -25.018  -4.387
  139    HZ3  TRP  16           HZ3      TRP  16  13.597 -23.312  -8.081
  140    HH2  TRP  16           HH2      TRP  16  14.990 -24.982  -6.880
  141    H    LEU  17           H        LEU  17   9.761 -20.317  -6.887
  142    HA   LEU  17           HA       LEU  17   9.849 -23.128  -7.798
  143   1HB   LEU  17          HB2       LEU  17   7.467 -22.694  -7.724
  144   2HB   LEU  17          HB3       LEU  17   7.686 -21.083  -8.390
  145    HG   LEU  17           HG       LEU  17   8.463 -22.115 -10.561
  146   1HD1  LEU  17          HD11      LEU  17   7.459 -24.717  -9.317
  147   2HD1  LEU  17          HD12      LEU  17   8.009 -24.451 -10.989
  148   3HD1  LEU  17          HD13      LEU  17   9.161 -24.350  -9.660
  149   1HD2  LEU  17          HD21      LEU  17   6.206 -22.789 -11.289
  150   2HD2  LEU  17          HD22      LEU  17   5.700 -22.961  -9.590
  151   3HD2  LEU  17          HD23      LEU  17   6.129 -21.366 -10.243
  152    H    ASN  18           H        ASN  18  10.953 -23.292  -9.698
  153    HA   ASN  18           HA       ASN  18  12.400 -22.873 -11.252
  154   1HB   ASN  18          HB2       ASN  18  10.324 -20.764 -11.904
  155   2HB   ASN  18          HB3       ASN  18  11.717 -21.003 -12.933
  156   1HD2  ASN  18          HD22      ASN  18   9.540 -21.326 -14.305
  157   2HD2  ASN  18          HD21      ASN  18   9.207 -23.024 -14.585
  158    H    GLY  19           H        GLY  19  12.571 -20.929  -8.796
  159   1HA   GLY  19          HA2       GLY  19  15.243 -20.421  -8.836
  160   2HA   GLY  19          HA3       GLY  19  14.538 -18.988  -9.616
  161    H    GLU  20           H        GLU  20  15.834 -19.075  -7.099
  162    HA   GLU  20           HA       GLU  20  13.714 -18.023  -5.292
  163   1HB   GLU  20          HB2       GLU  20  14.487 -20.295  -4.571
  164   2HB   GLU  20          HB3       GLU  20  16.148 -19.685  -4.532
  165   1HG   GLU  20          HG2       GLU  20  15.471 -18.009  -2.816
  166   2HG   GLU  20          HG3       GLU  20  13.816 -18.616  -2.883
  167    H    VAL  21           H        VAL  21  14.180 -15.931  -4.793
  168    HA   VAL  21           HA       VAL  21  16.903 -14.917  -4.545
  169    HB   VAL  21           HB       VAL  21  16.553 -13.089  -6.135
  170   1HG1  VAL  21          HG11      VAL  21  16.128 -15.720  -7.590
  171   2HG1  VAL  21          HG12      VAL  21  16.842 -14.226  -8.240
  172   3HG1  VAL  21          HG13      VAL  21  17.674 -15.125  -6.961
  173   1HG2  VAL  21          HG21      VAL  21  13.886 -14.421  -6.745
  174   2HG2  VAL  21          HG22      VAL  21  14.182 -12.779  -6.148
  175   3HG2  VAL  21          HG23      VAL  21  14.635 -13.207  -7.798
  176    H    THR  22           H        THR  22  16.660 -12.494  -3.868
  177    HA   THR  22           HA       THR  22  14.018 -11.807  -2.757
  178    HB   THR  22           HB       THR  22  15.177 -10.916  -0.731
  179    HG1  THR  22           HG1      THR  22  17.293 -11.467  -0.357
  180   1HG2  THR  22          HG21      THR  22  15.585 -13.009   0.421
  181   2HG2  THR  22          HG22      THR  22  14.141 -13.146  -0.614
  182   3HG2  THR  22          HG23      THR  22  15.683 -13.868  -1.139
  183    H    ARG  23           H        ARG  23  13.885  -9.528  -2.340
  184    HA   ARG  23           HA       ARG  23  14.839  -7.644  -4.184
  185   1HB   ARG  23          HB2       ARG  23  13.047  -6.943  -2.956
  186   2HB   ARG  23          HB3       ARG  23  13.524  -7.815  -1.520
  187   1HG   ARG  23          HG2       ARG  23  15.269  -5.814  -1.244
  188   2HG   ARG  23          HG3       ARG  23  14.113  -5.013  -2.336
  189   1HD   ARG  23          HD2       ARG  23  13.421  -4.510  -0.105
  190   2HD   ARG  23          HD3       ARG  23  12.270  -5.687  -0.771
  191    HE   ARG  23           HE       ARG  23  14.245  -7.171   0.560
  192   1HH1  ARG  23          HH21      ARG  23  11.504  -5.003   1.373
  193   2HH1  ARG  23          HH22      ARG  23  11.345  -5.719   2.977
  194   1HH2  ARG  23          HH11      ARG  23  14.040  -7.904   2.737
  195   2HH2  ARG  23          HH12      ARG  23  12.674  -7.309   3.687
  196    H    GLU  24           H        GLU  24  16.253  -8.719  -1.050
  197    HA   GLU  24           HA       GLU  24  18.386  -6.854  -1.055
  198   1HB   GLU  24          HB2       GLU  24  18.127  -9.574   0.333
  199   2HB   GLU  24          HB3       GLU  24  19.372  -8.376   0.650
  200   1HG   GLU  24          HG2       GLU  24  17.981  -7.851   2.343
  201   2HG   GLU  24          HG3       GLU  24  17.343  -6.753   1.126
  202    H    GLN  25           H        GLN  25  18.029 -10.066  -2.622
  203    HA   GLN  25           HA       GLN  25  20.915 -10.301  -2.874
  204   1HB   GLN  25          HB2       GLN  25  18.568 -12.019  -3.690
  205   2HB   GLN  25          HB3       GLN  25  20.185 -12.357  -4.314
  206   1HG   GLN  25          HG2       GLN  25  21.112 -12.619  -2.098
  207   2HG   GLN  25          HG3       GLN  25  19.608 -12.101  -1.338
  208   1HE2  GLN  25          HE22      GLN  25  17.672 -13.446  -1.692
  209   2HE2  GLN  25          HE21      GLN  25  17.867 -15.192  -1.876
  210    H    LEU  26           H        LEU  26  18.191  -9.467  -5.043
  211    HA   LEU  26           HA       LEU  26  20.153  -9.316  -7.280
  212   1HB   LEU  26          HB2       LEU  26  18.219  -9.496  -8.785
  213   2HB   LEU  26          HB3       LEU  26  18.601 -10.898  -7.815
  214    HG   LEU  26           HG       LEU  26  16.706 -10.621  -6.427
  215   1HD1  LEU  26          HD11      LEU  26  14.962  -8.889  -6.767
  216   2HD1  LEU  26          HD12      LEU  26  16.454  -8.297  -6.063
  217   3HD1  LEU  26          HD13      LEU  26  16.096  -7.979  -7.782
  218   1HD2  LEU  26          HD21      LEU  26  16.370 -11.725  -8.579
  219   2HD2  LEU  26          HD22      LEU  26  14.894 -10.857  -8.109
  220   3HD2  LEU  26          HD23      LEU  26  15.977 -10.182  -9.343
  221    H    ILE  27           H        ILE  27  18.392  -7.071  -5.349
  222    HA   ILE  27           HA       ILE  27  18.326  -5.044  -7.483
  223    HB   ILE  27           HB       ILE  27  18.020  -4.780  -4.469
  224   1HG1  ILE  27          HG12      ILE  27  15.936  -4.837  -6.725
  225   2HG1  ILE  27          HG13      ILE  27  16.267  -6.169  -5.625
  226   1HG2  ILE  27          HG21      ILE  27  17.381  -2.738  -6.650
  227   2HG2  ILE  27          HG22      ILE  27  17.002  -2.567  -4.925
  228   3HG2  ILE  27          HG23      ILE  27  18.671  -2.596  -5.426
  229   1HD1  ILE  27          HD11      ILE  27  15.766  -4.445  -3.731
  230   2HD1  ILE  27          HD12      ILE  27  14.866  -3.627  -5.030
  231   3HD1  ILE  27          HD13      ILE  27  14.477  -5.300  -4.601
  232    H    GLY  28           H        GLY  28  19.738  -3.222  -7.611
  233   1HA   GLY  28          HA2       GLY  28  21.684  -2.423  -5.906
  234   2HA   GLY  28          HA3       GLY  28  22.532  -3.644  -6.876
  235    H    GLU  29           H        GLU  29  21.477  -3.309  -9.382
  236    HA   GLU  29           HA       GLU  29  22.021  -0.456 -10.097
  237   1HB   GLU  29          HB2       GLU  29  24.024  -2.040 -10.165
  238   2HB   GLU  29          HB3       GLU  29  23.183  -2.878 -11.480
  239   1HG   GLU  29          HG2       GLU  29  23.202  -0.776 -12.815
  240   2HG   GLU  29          HG3       GLU  29  23.912   0.100 -11.467
  241    H    LYS  30           H        LYS  30  20.113  -3.308 -10.691
  242    HA   LYS  30           HA       LYS  30  19.043  -2.062 -13.181
  243   1HB   LYS  30          HB2       LYS  30  18.840  -4.995 -12.417
  244   2HB   LYS  30          HB3       LYS  30  18.428  -4.262 -13.963
  245   1HG   LYS  30          HG2       LYS  30  21.205  -4.562 -12.758
  246   2HG   LYS  30          HG3       LYS  30  20.551  -5.496 -14.089
  247   1HD   LYS  30          HD2       LYS  30  20.835  -3.782 -15.647
  248   2HD   LYS  30          HD3       LYS  30  20.713  -2.493 -14.437
  249   1HE   LYS  30          HE2       LYS  30  22.832  -3.150 -13.441
  250   2HE   LYS  30          HE3       LYS  30  23.052  -4.425 -14.648
  251   1HZ   LYS  30          HZ1       LYS  30  23.356  -2.785 -16.311
  252   2HZ   LYS  30          HZ2       LYS  30  22.781  -1.565 -15.374
  253   3HZ   LYS  30          HZ3       LYS  30  24.216  -2.246 -15.006
  254    HA   PRO  31           HA       PRO  31  15.172  -1.635 -11.008
  255   1HB   PRO  31          HB2       PRO  31  13.410  -1.656 -13.123
  256   2HB   PRO  31          HB3       PRO  31  14.476  -0.269 -12.734
  257   1HG   PRO  31          HG2       PRO  31  14.956  -2.471 -14.765
  258   2HG   PRO  31          HG3       PRO  31  15.094  -0.696 -14.996
  259   1HD   PRO  31          HD2       PRO  31  17.268  -2.208 -14.460
  260   2HD   PRO  31          HD3       PRO  31  17.079  -0.594 -13.719
  261    H    THR  32           H        THR  32  13.044  -2.842 -10.846
  262    HA   THR  32           HA       THR  32  13.324  -5.715 -11.508
  263    HB   THR  32           HB       THR  32  12.758  -4.573  -8.739
  264    HG1  THR  32           HG1      THR  32  14.911  -4.424  -9.156
  265   1HG2  THR  32          HG21      THR  32  12.946  -7.462  -9.691
  266   2HG2  THR  32          HG22      THR  32  13.044  -6.964  -7.989
  267   3HG2  THR  32          HG23      THR  32  11.566  -6.658  -8.914
  268    H    LEU  33           H        LEU  33  11.470  -6.696 -12.028
  269    HA   LEU  33           HA       LEU  33   8.900  -5.184 -11.828
  270   1HB   LEU  33          HB2       LEU  33   9.541  -5.433 -14.161
  271   2HB   LEU  33          HB3       LEU  33  10.013  -7.115 -13.904
  272    HG   LEU  33           HG       LEU  33   7.607  -7.704 -13.455
  273   1HD1  LEU  33          HD11      LEU  33   7.056  -4.859 -14.409
  274   2HD1  LEU  33          HD12      LEU  33   5.846  -6.128 -14.110
  275   3HD1  LEU  33          HD13      LEU  33   6.764  -5.465 -12.762
  276   1HD2  LEU  33          HD21      LEU  33   8.152  -6.371 -16.130
  277   2HD2  LEU  33          HD22      LEU  33   8.624  -8.014 -15.664
  278   3HD2  LEU  33          HD23      LEU  33   6.908  -7.595 -15.789
  279    H    ILE  34           H        ILE  34   7.454  -6.164 -10.536
  280    HA   ILE  34           HA       ILE  34   7.711  -9.080  -9.979
  281    HB   ILE  34           HB       ILE  34   6.143  -7.100  -8.327
  282   1HG1  ILE  34          HG12      ILE  34   8.939  -8.043  -7.627
  283   2HG1  ILE  34          HG13      ILE  34   8.496  -6.409  -8.131
  284   1HG2  ILE  34          HG21      ILE  34   6.077  -8.921  -6.669
  285   2HG2  ILE  34          HG22      ILE  34   5.454  -9.468  -8.200
  286   3HG2  ILE  34          HG23      ILE  34   7.113  -9.924  -7.719
  287   1HD1  ILE  34          HD11      ILE  34   7.674  -7.809  -5.571
  288   2HD1  ILE  34          HD12      ILE  34   8.615  -6.332  -5.792
  289   3HD1  ILE  34          HD13      ILE  34   6.887  -6.325  -6.158
  290    H    HIS  35           H        HIS  35   5.896 -10.268 -10.661
  291    HA   HIS  35           HA       HIS  35   3.431  -8.705 -11.224
  292   1HB   HIS  35          HB2       HIS  35   2.898 -10.001 -13.156
  293   2HB   HIS  35          HB3       HIS  35   4.424  -9.133 -13.411
  294    HD1  HIS  35           HD1      HIS  35   2.895 -12.465 -13.788
  295    HD2  HIS  35           HD2      HIS  35   6.721 -10.852 -13.102
  296    HE1  HIS  35           HE1      HIS  35   4.559 -14.325 -14.277
  297    H    PHE  36           H        PHE  36   1.533  -9.634 -10.730
  298    HA   PHE  36           HA       PHE  36   1.529 -12.217  -9.252
  299   1HB   PHE  36          HB2       PHE  36  -0.094  -9.667  -9.124
  300   2HB   PHE  36          HB3       PHE  36  -0.867 -11.192  -8.744
  301    HD1  PHE  36           HD1      PHE  36  -0.934 -11.850  -6.547
  302    HD2  PHE  36           HD2      PHE  36   2.350  -9.370  -7.824
  303    HE1  PHE  36           HE1      PHE  36  -0.003 -11.931  -4.278
  304    HE2  PHE  36           HE2      PHE  36   3.251  -9.410  -5.512
  305    HZ   PHE  36           HZ       PHE  36   2.067 -10.677  -3.727
  306    H    TRP  37           H        TRP  37   0.567 -13.882 -10.314
  307    HA   TRP  37           HA       TRP  37  -1.348 -13.416 -12.527
  308   1HB   TRP  37          HB2       TRP  37  -0.031 -14.755 -14.062
  309   2HB   TRP  37          HB3       TRP  37   0.944 -13.402 -13.529
  310    HD1  TRP  37           HD1      TRP  37   2.994 -14.004 -11.786
  311    HE1  TRP  37           HE1      TRP  37   4.250 -16.151 -11.288
  312    HE3  TRP  37           HE3      TRP  37  -0.062 -17.326 -14.232
  313    HZ2  TRP  37           HZ2      TRP  37   4.033 -18.989 -11.955
  314    HZ3  TRP  37           HZ3      TRP  37   0.523 -19.722 -14.327
  315    HH2  TRP  37           HH2      TRP  37   2.579 -20.567 -13.210
  316    H    SER  38           H        SER  38  -2.166 -15.783 -13.246
  317    HA   SER  38           HA       SER  38  -1.735 -17.829 -11.211
  318   1HB   SER  38          HB2       SER  38  -4.600 -17.390 -11.912
  319   2HB   SER  38          HB3       SER  38  -3.860 -18.049 -10.447
  320    HG   SER  38           HG       SER  38  -3.985 -16.201  -9.577
  321    H    ILE  39           H        ILE  39  -2.411 -19.984 -11.956
  322    HA   ILE  39           HA       ILE  39  -2.092 -20.415 -14.750
  323    HB   ILE  39           HB       ILE  39  -2.915 -22.754 -14.214
  324   1HG1  ILE  39          HG12      ILE  39  -2.739 -21.874 -11.305
  325   2HG1  ILE  39          HG13      ILE  39  -4.241 -22.181 -12.165
  326   1HG2  ILE  39          HG21      ILE  39  -0.817 -23.420 -13.348
  327   2HG2  ILE  39          HG22      ILE  39  -0.522 -22.004 -14.336
  328   3HG2  ILE  39          HG23      ILE  39  -0.539 -21.835 -12.571
  329   1HD1  ILE  39          HD11      ILE  39  -3.673 -24.535 -12.445
  330   2HD1  ILE  39          HD12      ILE  39  -2.089 -24.289 -11.676
  331   3HD1  ILE  39          HD13      ILE  39  -3.571 -24.076 -10.741
  332    H    SER  40           H        SER  40  -5.072 -20.061 -12.806
  333    HA   SER  40           HA       SER  40  -6.680 -20.660 -15.248
  334   1HB   SER  40          HB2       SER  40  -7.372 -20.875 -12.295
  335   2HB   SER  40          HB3       SER  40  -8.413 -21.330 -13.654
  336    HG   SER  40           HG       SER  40  -7.055 -23.016 -12.569
  337    H    CYS  41           H        CYS  41  -5.909 -18.387 -15.769
  338    HA   CYS  41           HA       CYS  41  -7.746 -16.300 -14.709
  339   1HB   CYS  41          HB2       CYS  41  -5.824 -16.072 -13.318
  340   2HB   CYS  41          HB3       CYS  41  -4.740 -16.467 -14.641
  341    H    HIS  42           H        HIS  42  -8.793 -15.768 -16.506
  342    HA   HIS  42           HA       HIS  42  -7.904 -16.210 -19.163
  343   1HB   HIS  42          HB2       HIS  42 -10.266 -14.562 -18.173
  344   2HB   HIS  42          HB3       HIS  42 -10.091 -15.315 -19.759
  345    HD1  HIS  42           HD1      HIS  42 -11.815 -16.000 -16.630
  346    HD2  HIS  42           HD2      HIS  42  -9.638 -18.233 -19.463
  347    HE1  HIS  42           HE1      HIS  42 -12.475 -18.433 -16.284
  348    H    LEU  43           H        LEU  43  -6.309 -14.149 -17.607
  349    HA   LEU  43           HA       LEU  43  -5.854 -12.598 -20.005
  350   1HB   LEU  43          HB2       LEU  43  -7.381 -11.163 -18.618
  351   2HB   LEU  43          HB3       LEU  43  -6.127 -11.035 -17.403
  352    HG   LEU  43           HG       LEU  43  -6.503  -9.149 -19.129
  353   1HD1  LEU  43          HD11      LEU  43  -3.613 -10.031 -18.851
  354   2HD1  LEU  43          HD12      LEU  43  -4.247  -8.414 -19.132
  355   3HD1  LEU  43          HD13      LEU  43  -4.562  -9.223 -17.590
  356   1HD2  LEU  43          HD21      LEU  43  -4.815 -10.921 -20.947
  357   2HD2  LEU  43          HD22      LEU  43  -6.537 -10.567 -21.164
  358   3HD2  LEU  43          HD23      LEU  43  -5.341  -9.259 -21.256
  359    H    CYS  44           H        CYS  44  -4.729 -13.908 -16.939
  360    HA   CYS  44           HA       CYS  44  -2.008 -13.190 -17.105
  361   1HB   CYS  44          HB2       CYS  44  -3.198 -15.832 -16.174
  362   2HB   CYS  44          HB3       CYS  44  -1.606 -15.198 -15.804
  363    H    LYS  45           H        LYS  45  -3.980 -15.559 -18.900
  364    HA   LYS  45           HA       LYS  45  -1.903 -16.836 -20.296
  365   1HB   LYS  45          HB2       LYS  45  -3.672 -17.128 -22.107
  366   2HB   LYS  45          HB3       LYS  45  -3.912 -17.820 -20.506
  367   1HG   LYS  45          HG2       LYS  45  -6.002 -17.070 -21.261
  368   2HG   LYS  45          HG3       LYS  45  -5.508 -16.056 -19.929
  369   1HD   LYS  45          HD2       LYS  45  -6.592 -14.751 -21.651
  370   2HD   LYS  45          HD3       LYS  45  -4.914 -14.250 -21.468
  371   1HE   LYS  45          HE2       LYS  45  -5.456 -14.273 -23.821
  372   2HE   LYS  45          HE3       LYS  45  -4.308 -15.571 -23.509
  373   1HZ   LYS  45          HZ1       LYS  45  -6.183 -17.136 -23.568
  374   2HZ   LYS  45          HZ2       LYS  45  -7.242 -15.913 -23.828
  375   3HZ   LYS  45          HZ3       LYS  45  -6.120 -16.275 -24.946
  376    H    GLU  46           H        GLU  46  -2.698 -13.472 -20.559
  377    HA   GLU  46           HA       GLU  46  -1.033 -13.290 -23.051
  378   1HB   GLU  46          HB2       GLU  46  -2.618 -11.165 -21.550
  379   2HB   GLU  46          HB3       GLU  46  -1.615 -10.866 -22.959
  380   1HG   GLU  46          HG2       GLU  46  -4.063 -12.675 -22.928
  381   2HG   GLU  46          HG3       GLU  46  -4.038 -11.023 -23.498
  382    H    ALA  47           H        ALA  47  -1.144 -12.495 -19.556
  383    HA   ALA  47           HA       ALA  47   1.243 -10.945 -19.613
  384   1HB   ALA  47          HB1       ALA  47   1.228 -11.123 -17.192
  385   2HB   ALA  47          HB2       ALA  47  -0.439 -10.889 -17.751
  386   3HB   ALA  47          HB3       ALA  47   0.125 -12.508 -17.249
  387    H    MET  48           H        MET  48   0.793 -14.465 -19.122
  388    HA   MET  48           HA       MET  48   3.446 -14.984 -18.271
  389   1HB   MET  48          HB2       MET  48   1.468 -16.747 -19.762
  390   2HB   MET  48          HB3       MET  48   3.002 -17.315 -19.092
  391   1HG   MET  48          HG2       MET  48   2.257 -16.501 -16.829
  392   2HG   MET  48          HG3       MET  48   0.708 -16.076 -17.514
  393   1HE   MET  48          HE1       MET  48   0.742 -18.951 -19.553
  394   2HE   MET  48          HE2       MET  48  -0.472 -19.827 -18.604
  395   3HE   MET  48          HE3       MET  48  -0.712 -18.102 -18.961
  396    HA   PRO  49           HA       PRO  49   4.900 -15.516 -22.729
  397   1HB   PRO  49          HB2       PRO  49   3.524 -14.371 -24.832
  398   2HB   PRO  49          HB3       PRO  49   3.373 -16.074 -24.298
  399   1HG   PRO  49          HG2       PRO  49   1.575 -13.748 -23.650
  400   2HG   PRO  49          HG3       PRO  49   1.115 -15.410 -24.110
  401   1HD   PRO  49          HD2       PRO  49   1.138 -14.626 -21.508
  402   2HD   PRO  49          HD3       PRO  49   1.632 -16.269 -21.984
  403    H    GLN  50           H        GLN  50   3.222 -12.444 -21.763
  404    HA   GLN  50           HA       GLN  50   5.036 -10.729 -23.219
  405   1HB   GLN  50          HB2       GLN  50   2.682 -10.234 -22.169
  406   2HB   GLN  50          HB3       GLN  50   3.552 -10.047 -20.654
  407   1HG   GLN  50          HG2       GLN  50   3.618  -7.865 -21.327
  408   2HG   GLN  50          HG3       GLN  50   5.068  -8.392 -22.179
  409   1HE2  GLN  50          HE22      GLN  50   1.502  -8.037 -22.538
  410   2HE2  GLN  50          HE21      GLN  50   1.504  -7.708 -24.246
  411    H    VAL  51           H        VAL  51   4.814 -12.049 -19.917
  412    HA   VAL  51           HA       VAL  51   7.111 -10.832 -18.847
  413    HB   VAL  51           HB       VAL  51   5.454 -13.282 -18.199
  414   1HG1  VAL  51          HG11      VAL  51   6.568 -13.605 -16.131
  415   2HG1  VAL  51          HG12      VAL  51   7.768 -13.806 -17.396
  416   3HG1  VAL  51          HG13      VAL  51   7.735 -12.302 -16.449
  417   1HG2  VAL  51          HG21      VAL  51   5.865 -10.670 -16.673
  418   2HG2  VAL  51          HG22      VAL  51   4.547 -10.933 -17.835
  419   3HG2  VAL  51          HG23      VAL  51   4.643 -11.919 -16.372
  420    H    ASN  52           H        ASN  52   6.655 -14.022 -20.540
  421    HA   ASN  52           HA       ASN  52   9.367 -14.827 -20.293
  422   1HB   ASN  52          HB2       ASN  52   7.859 -16.481 -20.941
  423   2HB   ASN  52          HB3       ASN  52   7.128 -15.481 -22.197
  424   1HD2  ASN  52          HD22      ASN  52   7.950 -15.512 -24.253
  425   2HD2  ASN  52          HD21      ASN  52   9.327 -16.475 -24.737
  426    H    GLU  53           H        GLU  53   7.773 -12.661 -22.738
  427    HA   GLU  53           HA       GLU  53  10.171 -12.321 -24.262
  428   1HB   GLU  53          HB2       GLU  53   7.887 -10.346 -23.879
  429   2HB   GLU  53          HB3       GLU  53   9.271 -10.121 -24.933
  430   1HG   GLU  53          HG2       GLU  53   7.150 -12.247 -25.248
  431   2HG   GLU  53          HG3       GLU  53   7.394 -10.786 -26.213
  432    H    PHE  54           H        PHE  54   8.995 -10.427 -21.325
  433    HA   PHE  54           HA       PHE  54  11.287  -8.715 -21.346
  434   1HB   PHE  54          HB2       PHE  54   9.933  -9.769 -18.841
  435   2HB   PHE  54          HB3       PHE  54  10.851  -8.283 -19.015
  436    HD1  PHE  54           HD1      PHE  54   9.470  -7.450 -21.728
  437    HD2  PHE  54           HD2      PHE  54   8.031  -8.770 -17.897
  438    HE1  PHE  54           HE1      PHE  54   7.316  -6.253 -22.119
  439    HE2  PHE  54           HE2      PHE  54   5.912  -7.560 -18.252
  440    HZ   PHE  54           HZ       PHE  54   5.539  -6.281 -20.373
  441    H    ARG  55           H        ARG  55  10.757 -11.888 -19.903
  442    HA   ARG  55           HA       ARG  55  13.205 -12.152 -18.515
  443   1HB   ARG  55          HB2       ARG  55  10.969 -13.405 -18.315
  444   2HB   ARG  55          HB3       ARG  55  11.476 -14.332 -19.721
  445   1HG   ARG  55          HG2       ARG  55  13.548 -14.373 -17.630
  446   2HG   ARG  55          HG3       ARG  55  11.974 -14.780 -16.952
  447   1HD   ARG  55          HD2       ARG  55  13.141 -16.794 -17.665
  448   2HD   ARG  55          HD3       ARG  55  11.641 -16.559 -18.589
  449    HE   ARG  55           HE       ARG  55  14.012 -15.364 -19.770
  450   1HH1  ARG  55          HH21      ARG  55  12.025 -18.319 -19.689
  451   2HH1  ARG  55          HH22      ARG  55  12.437 -18.817 -21.290
  452   1HH2  ARG  55          HH11      ARG  55  14.739 -16.152 -21.819
  453   2HH2  ARG  55          HH12      ARG  55  14.062 -17.590 -22.491
  454    H    ASP  56           H        ASP  56  12.597 -12.325 -21.953
  455    HA   ASP  56           HA       ASP  56  15.430 -13.270 -22.285
  456   1HB   ASP  56          HB2       ASP  56  13.788 -14.608 -23.467
  457   2HB   ASP  56          HB3       ASP  56  13.154 -13.170 -24.278
  458    H    LYS  57           H        LYS  57  13.229 -10.737 -23.635
  459    HA   LYS  57           HA       LYS  57  15.268  -9.372 -25.067
  460   1HB   LYS  57          HB2       LYS  57  12.638  -8.269 -23.952
  461   2HB   LYS  57          HB3       LYS  57  13.662  -7.502 -25.168
  462   1HG   LYS  57          HG2       LYS  57  13.334  -9.604 -26.592
  463   2HG   LYS  57          HG3       LYS  57  12.057 -10.065 -25.467
  464   1HD   LYS  57          HD2       LYS  57  12.184  -7.491 -27.093
  465   2HD   LYS  57          HD3       LYS  57  11.211  -8.911 -27.500
  466   1HE   LYS  57          HE2       LYS  57   9.631  -8.543 -25.885
  467   2HE   LYS  57          HE3       LYS  57  10.725  -7.633 -24.820
  468   1HZ   LYS  57          HZ1       LYS  57   9.741  -6.591 -27.409
  469   2HZ   LYS  57          HZ2       LYS  57   8.985  -6.301 -25.993
  470   3HZ   LYS  57          HZ3       LYS  57  10.504  -5.747 -26.218
  471    H    TYR  58           H        TYR  58  13.990  -8.916 -21.758
  472    HA   TYR  58           HA       TYR  58  15.909  -6.664 -21.409
  473   1HB   TYR  58          HB2       TYR  58  13.328  -7.001 -19.927
  474   2HB   TYR  58          HB3       TYR  58  14.443  -5.636 -19.903
  475    HD1  TYR  58           HD1      TYR  58  15.047  -5.230 -22.811
  476    HD2  TYR  58           HD2      TYR  58  11.322  -6.139 -20.814
  477    HE1  TYR  58           HE1      TYR  58  13.793  -4.250 -24.702
  478    HE2  TYR  58           HE2      TYR  58  10.063  -5.187 -22.724
  479    HH   TYR  58           HH       TYR  58  11.687  -3.728 -25.570
  480    H    GLN  59           H        GLN  59  15.301  -9.840 -20.185
  481    HA   GLN  59           HA       GLN  59  16.362  -9.642 -17.651
  482   1HB   GLN  59          HB2       GLN  59  17.547 -11.793 -17.972
  483   2HB   GLN  59          HB3       GLN  59  15.864 -11.794 -18.459
  484   1HG   GLN  59          HG2       GLN  59  17.195 -13.095 -20.022
  485   2HG   GLN  59          HG3       GLN  59  16.478 -11.706 -20.810
  486   1HE2  GLN  59          HE22      GLN  59  17.863 -10.820 -22.285
  487   2HE2  GLN  59          HE21      GLN  59  19.589 -10.597 -22.045
  488    H    ASP  60           H        ASP  60  18.392  -9.578 -16.674
  489    HA   ASP  60           HA       ASP  60  20.356  -8.705 -16.155
  490   1HB   ASP  60          HB2       ASP  60  21.272 -10.222 -17.858
  491   2HB   ASP  60          HB3       ASP  60  21.144  -8.948 -19.070
  492    H    GLN  61           H        GLN  61  18.279  -7.013 -18.316
  493    HA   GLN  61           HA       GLN  61  19.598  -4.420 -17.616
  494   1HB   GLN  61          HB2       GLN  61  17.339  -4.966 -19.573
  495   2HB   GLN  61          HB3       GLN  61  18.206  -3.459 -19.364
  496   1HG   GLN  61          HG2       GLN  61  20.005  -4.142 -20.628
  497   2HG   GLN  61          HG3       GLN  61  19.909  -5.819 -20.111
  498   1HE2  GLN  61          HE22      GLN  61  18.593  -7.331 -21.221
  499   2HE2  GLN  61          HE21      GLN  61  17.703  -6.904 -22.680
  500    H    LEU  62           H        LEU  62  17.062  -6.625 -17.027
  501    HA   LEU  62           HA       LEU  62  15.677  -4.917 -15.022
  502   1HB   LEU  62          HB2       LEU  62  14.460  -4.850 -17.216
  503   2HB   LEU  62          HB3       LEU  62  14.524  -6.603 -17.296
  504    HG   LEU  62           HG       LEU  62  13.102  -6.728 -15.233
  505   1HD1  LEU  62          HD11      LEU  62  12.711  -3.745 -15.753
  506   2HD1  LEU  62          HD12      LEU  62  11.775  -4.739 -14.617
  507   3HD1  LEU  62          HD13      LEU  62  13.489  -4.460 -14.325
  508   1HD2  LEU  62          HD21      LEU  62  12.172  -7.159 -17.369
  509   2HD2  LEU  62          HD22      LEU  62  11.019  -6.125 -16.509
  510   3HD2  LEU  62          HD23      LEU  62  12.091  -5.441 -17.764
  511    H    ASN  63           H        ASN  63  15.201  -6.145 -13.195
  512    HA   ASN  63           HA       ASN  63  15.791  -9.060 -13.147
  513   1HB   ASN  63          HB2       ASN  63  14.820  -7.091 -11.061
  514   2HB   ASN  63          HB3       ASN  63  14.934  -8.811 -10.776
  515   1HD2  ASN  63          HD22      ASN  63  16.259  -6.399  -9.607
  516   2HD2  ASN  63          HD21      ASN  63  17.968  -6.862  -9.564
  517    H    VAL  64           H        VAL  64  14.030 -10.545 -13.160
  518    HA   VAL  64           HA       VAL  64  11.276  -9.398 -13.086
  519    HB   VAL  64           HB       VAL  64  12.071 -11.822 -14.737
  520   1HG1  VAL  64          HG11      VAL  64   9.670 -11.622 -14.045
  521   2HG1  VAL  64          HG12      VAL  64   9.602 -10.021 -14.787
  522   3HG1  VAL  64          HG13      VAL  64   9.879 -11.462 -15.793
  523   1HG2  VAL  64          HG21      VAL  64  11.726  -8.959 -15.725
  524   2HG2  VAL  64          HG22      VAL  64  13.215  -9.929 -15.805
  525   3HG2  VAL  64          HG23      VAL  64  11.816 -10.399 -16.765
  526    H    VAL  65           H        VAL  65   9.972 -10.385 -11.595
  527    HA   VAL  65           HA       VAL  65  10.593 -13.064 -10.619
  528    HB   VAL  65           HB       VAL  65  11.921 -11.817  -9.109
  529   1HG1  VAL  65          HG11      VAL  65   9.567  -9.934  -8.664
  530   2HG1  VAL  65          HG12      VAL  65  11.059  -9.948  -7.688
  531   3HG1  VAL  65          HG13      VAL  65  11.137  -9.533  -9.395
  532   1HG2  VAL  65          HG21      VAL  65  11.051 -12.340  -6.983
  533   2HG2  VAL  65          HG22      VAL  65   9.372 -12.329  -7.572
  534   3HG2  VAL  65          HG23      VAL  65  10.516 -13.585  -8.112
  535    H    ALA  66           H        ALA  66   8.701 -13.967  -9.514
  536    HA   ALA  66           HA       ALA  66   6.155 -12.660 -10.401
  537   1HB   ALA  66          HB1       ALA  66   5.565 -14.611 -11.528
  538   2HB   ALA  66          HB2       ALA  66   7.282 -14.416 -11.947
  539   3HB   ALA  66          HB3       ALA  66   6.803 -15.562 -10.684
  540    H    VAL  67           H        VAL  67   4.273 -13.523  -9.452
  541    HA   VAL  67           HA       VAL  67   4.606 -15.163  -7.007
  542    HB   VAL  67           HB       VAL  67   2.770 -12.753  -7.114
  543   1HG1  VAL  67          HG11      VAL  67   2.483 -14.455  -5.364
  544   2HG1  VAL  67          HG12      VAL  67   4.186 -14.276  -4.875
  545   3HG1  VAL  67          HG13      VAL  67   3.048 -12.939  -4.650
  546   1HG2  VAL  67          HG21      VAL  67   4.898 -11.699  -7.576
  547   2HG2  VAL  67          HG22      VAL  67   4.507 -11.425  -5.886
  548   3HG2  VAL  67          HG23      VAL  67   5.711 -12.652  -6.300
  549    H    HIS  68           H        HIS  68   3.255 -16.904  -7.215
  550    HA   HIS  68           HA       HIS  68   1.091 -16.825  -9.208
  551   1HB   HIS  68          HB2       HIS  68   2.468 -18.899  -8.783
  552   2HB   HIS  68          HB3       HIS  68   1.701 -19.000  -7.183
  553    HD1  HIS  68           HD1      HIS  68  -1.093 -19.435  -7.284
  554    HD2  HIS  68           HD2      HIS  68   1.022 -19.442 -10.916
  555    HE1  HIS  68           HE1      HIS  68  -2.732 -20.150  -9.091
  556    H    MET  69           H        MET  69  -0.986 -16.425  -8.673
  557    HA   MET  69           HA       MET  69  -1.581 -15.639  -5.872
  558   1HB   MET  69          HB2       MET  69  -1.155 -13.815  -7.433
  559   2HB   MET  69          HB3       MET  69  -2.437 -14.393  -8.496
  560   1HG   MET  69          HG2       MET  69  -3.184 -12.518  -7.033
  561   2HG   MET  69          HG3       MET  69  -4.120 -13.993  -6.801
  562   1HE   MET  69          HE1       MET  69  -4.571 -13.323  -3.231
  563   2HE   MET  69          HE2       MET  69  -5.135 -12.782  -4.834
  564   3HE   MET  69          HE3       MET  69  -4.907 -14.525  -4.499
  565    HA   PRO  70           HA       PRO  70  -4.498 -19.075  -7.025
  566   1HB   PRO  70          HB2       PRO  70  -4.970 -19.914  -4.439
  567   2HB   PRO  70          HB3       PRO  70  -3.522 -20.395  -5.390
  568   1HG   PRO  70          HG2       PRO  70  -3.792 -18.274  -3.279
  569   2HG   PRO  70          HG3       PRO  70  -2.487 -19.480  -3.498
  570   1HD   PRO  70          HD2       PRO  70  -2.322 -16.868  -4.357
  571   2HD   PRO  70          HD3       PRO  70  -1.481 -18.223  -5.204
  572    H    ARG  71           H        ARG  71  -6.603 -18.723  -7.360
  573    HA   ARG  71           HA       ARG  71  -8.172 -17.131  -5.348
  574   1HB   ARG  71          HB2       ARG  71  -8.584 -17.374  -8.351
  575   2HB   ARG  71          HB3       ARG  71  -9.620 -16.481  -7.244
  576   1HG   ARG  71          HG2       ARG  71  -8.388 -14.651  -7.633
  577   2HG   ARG  71          HG3       ARG  71  -7.106 -15.388  -6.686
  578   1HD   ARG  71          HD2       ARG  71  -6.077 -14.791  -8.727
  579   2HD   ARG  71          HD3       ARG  71  -6.315 -16.511  -8.842
  580    HE   ARG  71           HE       ARG  71  -8.051 -14.424 -10.126
  581   1HH1  ARG  71          HH21      ARG  71  -6.646 -17.720 -10.231
  582   2HH1  ARG  71          HH22      ARG  71  -7.445 -18.100 -11.733
  583   1HH2  ARG  71          HH11      ARG  71  -9.113 -15.056 -12.105
  584   2HH2  ARG  71          HH12      ARG  71  -8.839 -16.654 -12.734
  585    H    SER  72           H        SER  72  -7.831 -20.274  -6.664
  586    HA   SER  72           HA       SER  72 -10.496 -21.122  -5.750
  587   1HB   SER  72          HB2       SER  72  -9.495 -21.761  -8.556
  588   2HB   SER  72          HB3       SER  72 -11.087 -22.094  -7.869
  589    HG   SER  72           HG       SER  72 -11.134 -20.306  -9.275
  590    H    GLU  73           H        GLU  73 -10.590 -23.593  -5.926
  591    HA   GLU  73           HA       GLU  73  -8.136 -24.823  -4.978
  592   1HB   GLU  73          HB2       GLU  73  -9.332 -26.831  -4.817
  593   2HB   GLU  73          HB3       GLU  73 -10.371 -25.560  -4.200
  594   1HG   GLU  73          HG2       GLU  73 -10.636 -26.898  -6.936
  595   2HG   GLU  73          HG3       GLU  73 -11.551 -27.309  -5.502
  596    H    ASP  74           H        ASP  74 -10.011 -24.636  -7.989
  597    HA   ASP  74           HA       ASP  74  -8.157 -26.173  -9.583
  598   1HB   ASP  74          HB2       ASP  74 -10.621 -25.892 -10.008
  599   2HB   ASP  74          HB3       ASP  74 -10.322 -24.204 -10.429
  600    H    ASP  75           H        ASP  75  -7.177 -23.718  -8.038
  601    HA   ASP  75           HA       ASP  75  -5.548 -22.538 -10.209
  602   1HB   ASP  75          HB2       ASP  75  -7.637 -21.099  -9.743
  603   2HB   ASP  75          HB3       ASP  75  -6.917 -20.793  -8.148
  604    H    LEU  76           H        LEU  76  -5.308 -24.364  -7.631
  605    HA   LEU  76           HA       LEU  76  -2.849 -22.989  -6.698
  606   1HB   LEU  76          HB2       LEU  76  -3.325 -23.507  -4.397
  607   2HB   LEU  76          HB3       LEU  76  -4.565 -22.497  -5.126
  608    HG   LEU  76           HG       LEU  76  -6.051 -24.466  -5.334
  609   1HD1  LEU  76          HD11      LEU  76  -4.628 -26.409  -5.238
  610   2HD1  LEU  76          HD12      LEU  76  -3.927 -25.890  -3.685
  611   3HD1  LEU  76          HD13      LEU  76  -5.620 -26.422  -3.792
  612   1HD2  LEU  76          HD21      LEU  76  -5.082 -23.782  -2.530
  613   2HD2  LEU  76          HD22      LEU  76  -6.243 -22.850  -3.502
  614   3HD2  LEU  76          HD23      LEU  76  -6.671 -24.469  -2.941
  615    H    ASP  77           H        ASP  77  -3.909 -25.637  -8.267
  616    HA   ASP  77           HA       ASP  77  -2.783 -27.861  -7.028
  617   1HB   ASP  77          HB2       ASP  77  -4.347 -27.944  -8.905
  618   2HB   ASP  77          HB3       ASP  77  -3.097 -27.335  -9.994
  619    HA   PRO  78           HA       PRO  78   1.480 -26.310  -7.210
  620   1HB   PRO  78          HB2       PRO  78   2.039 -29.157  -6.380
  621   2HB   PRO  78          HB3       PRO  78   2.714 -27.634  -5.723
  622   1HG   PRO  78          HG2       PRO  78   0.743 -28.950  -4.403
  623   2HG   PRO  78          HG3       PRO  78   0.691 -27.159  -4.546
  624   1HD   PRO  78          HD2       PRO  78  -0.826 -29.220  -6.164
  625   2HD   PRO  78          HD3       PRO  78  -1.403 -27.675  -5.483
  626    H    GLY  79           H        GLY  79   0.375 -29.326  -8.738
  627   1HA   GLY  79          HA2       GLY  79   2.784 -29.825 -10.275
  628   2HA   GLY  79          HA3       GLY  79   1.196 -30.611 -10.431
  629    H    LYS  80           H        LYS  80  -0.551 -28.430 -10.916
  630    HA   LYS  80           HA       LYS  80   0.237 -28.006 -13.651
  631   1HB   LYS  80          HB2       LYS  80  -2.210 -28.225 -12.577
  632   2HB   LYS  80          HB3       LYS  80  -2.085 -26.461 -12.629
  633   1HG   LYS  80          HG2       LYS  80  -1.188 -26.904 -15.119
  634   2HG   LYS  80          HG3       LYS  80  -1.897 -28.497 -14.880
  635   1HD   LYS  80          HD2       LYS  80  -3.675 -27.371 -15.879
  636   2HD   LYS  80          HD3       LYS  80  -4.047 -27.155 -14.165
  637   1HE   LYS  80          HE2       LYS  80  -4.310 -24.998 -14.914
  638   2HE   LYS  80          HE3       LYS  80  -2.610 -24.978 -14.385
  639   1HZ   LYS  80          HZ1       LYS  80  -3.401 -25.455 -17.204
  640   2HZ   LYS  80          HZ2       LYS  80  -3.080 -23.967 -16.620
  641   3HZ   LYS  80          HZ3       LYS  80  -1.901 -25.078 -16.625
  642    H    ILE  81           H        ILE  81   0.575 -25.984 -10.758
  643    HA   ILE  81           HA       ILE  81   1.044 -23.537 -12.217
  644    HB   ILE  81           HB       ILE  81   2.078 -24.495  -9.532
  645   1HG1  ILE  81          HG12      ILE  81  -0.109 -22.426  -9.956
  646   2HG1  ILE  81          HG13      ILE  81  -0.527 -24.122 -10.030
  647   1HG2  ILE  81          HG21      ILE  81   3.507 -22.671 -10.363
  648   2HG2  ILE  81          HG22      ILE  81   2.085 -21.693 -10.752
  649   3HG2  ILE  81          HG23      ILE  81   2.486 -22.060  -9.062
  650   1HD1  ILE  81          HD11      ILE  81  -0.870 -23.387  -7.788
  651   2HD1  ILE  81          HD12      ILE  81   0.504 -24.519  -7.856
  652   3HD1  ILE  81          HD13      ILE  81   0.789 -22.769  -7.674
  653    H    LYS  82           H        LYS  82   3.257 -26.071 -10.928
  654    HA   LYS  82           HA       LYS  82   5.602 -25.131 -12.184
  655   1HB   LYS  82          HB2       LYS  82   5.735 -26.939 -10.569
  656   2HB   LYS  82          HB3       LYS  82   4.677 -27.963 -11.537
  657   1HG   LYS  82          HG2       LYS  82   6.912 -28.768 -11.823
  658   2HG   LYS  82          HG3       LYS  82   6.386 -28.048 -13.346
  659   1HD   LYS  82          HD2       LYS  82   7.651 -25.942 -12.707
  660   2HD   LYS  82          HD3       LYS  82   8.193 -26.780 -11.231
  661   1HE   LYS  82          HE2       LYS  82   9.250 -28.522 -12.752
  662   2HE   LYS  82          HE3       LYS  82   8.839 -27.481 -14.122
  663   1HZ   LYS  82          HZ1       LYS  82  10.203 -25.709 -12.985
  664   2HZ   LYS  82          HZ2       LYS  82  10.664 -26.822 -11.885
  665   3HZ   LYS  82          HZ3       LYS  82  11.069 -27.022 -13.446
  666    H    GLU  83           H        GLU  83   3.225 -27.516 -13.483
  667    HA   GLU  83           HA       GLU  83   4.657 -27.894 -15.869
  668   1HB   GLU  83          HB2       GLU  83   1.729 -28.334 -15.199
  669   2HB   GLU  83          HB3       GLU  83   2.388 -28.749 -16.775
  670   1HG   GLU  83          HG2       GLU  83   3.522 -29.857 -14.172
  671   2HG   GLU  83          HG3       GLU  83   2.260 -30.649 -15.108
  672    H    THR  84           H        THR  84   1.877 -25.605 -15.302
  673    HA   THR  84           HA       THR  84   1.913 -24.626 -17.971
  674    HB   THR  84           HB       THR  84   1.162 -23.042 -15.480
  675    HG1  THR  84           HG1      THR  84   0.074 -24.899 -15.287
  676   1HG2  THR  84          HG21      THR  84  -0.562 -22.048 -16.958
  677   2HG2  THR  84          HG22      THR  84   1.070 -21.734 -17.566
  678   3HG2  THR  84          HG23      THR  84   0.070 -22.992 -18.327
  679    H    ALA  85           H        ALA  85   3.786 -23.657 -15.086
  680    HA   ALA  85           HA       ALA  85   5.107 -21.454 -16.304
  681   1HB   ALA  85          HB1       ALA  85   5.222 -21.839 -13.879
  682   2HB   ALA  85          HB2       ALA  85   6.164 -23.330 -14.147
  683   3HB   ALA  85          HB3       ALA  85   6.844 -21.759 -14.593
  684    H    ALA  86           H        ALA  86   5.708 -24.965 -16.574
  685    HA   ALA  86           HA       ALA  86   8.256 -24.582 -17.952
  686   1HB   ALA  86          HB1       ALA  86   8.111 -26.985 -18.385
  687   2HB   ALA  86          HB2       ALA  86   7.755 -26.657 -16.678
  688   3HB   ALA  86          HB3       ALA  86   6.437 -27.031 -17.810
  689    H    GLU  87           H        GLU  87   4.805 -25.080 -18.818
  690    HA   GLU  87           HA       GLU  87   5.303 -25.502 -21.591
  691   1HB   GLU  87          HB2       GLU  87   2.839 -24.681 -20.018
  692   2HB   GLU  87          HB3       GLU  87   2.786 -24.847 -21.766
  693   1HG   GLU  87          HG2       GLU  87   3.673 -27.102 -19.918
  694   2HG   GLU  87          HG3       GLU  87   2.020 -26.870 -20.468
  695    H    HIS  88           H        HIS  88   4.934 -22.543 -19.725
  696    HA   HIS  88           HA       HIS  88   5.108 -20.921 -22.225
  697   1HB   HIS  88          HB2       HIS  88   4.037 -20.342 -19.464
  698   2HB   HIS  88          HB3       HIS  88   4.305 -19.076 -20.666
  699    HD1  HIS  88           HD1      HIS  88   2.541 -18.978 -22.701
  700    HD2  HIS  88           HD2      HIS  88   2.021 -22.108 -19.934
  701    HE1  HIS  88           HE1      HIS  88   0.250 -19.982 -23.175
  702    H    ASP  89           H        ASP  89   7.253 -22.275 -20.212
  703    HA   ASP  89           HA       ASP  89   9.401 -21.949 -19.772
  704   1HB   ASP  89          HB2       ASP  89   9.312 -21.604 -22.270
  705   2HB   ASP  89          HB3       ASP  89   9.410 -19.867 -21.982
  706    H    ILE  90           H        ILE  90   7.731 -20.675 -18.104
  707    HA   ILE  90           HA       ILE  90   8.479 -17.931 -17.507
  708    HB   ILE  90           HB       ILE  90   6.762 -19.855 -15.886
  709   1HG1  ILE  90          HG12      ILE  90   5.904 -18.144 -18.252
  710   2HG1  ILE  90          HG13      ILE  90   5.786 -19.900 -18.080
  711   1HG2  ILE  90          HG21      ILE  90   6.645 -16.840 -16.135
  712   2HG2  ILE  90          HG22      ILE  90   5.780 -17.858 -14.952
  713   3HG2  ILE  90          HG23      ILE  90   7.529 -17.719 -14.853
  714   1HD1  ILE  90          HD11      ILE  90   4.153 -17.802 -16.631
  715   2HD1  ILE  90          HD12      ILE  90   3.595 -19.078 -17.719
  716   3HD1  ILE  90          HD13      ILE  90   4.196 -19.498 -16.111
  717    H    THR  91           H        THR  91  10.841 -18.793 -17.422
  718    HA   THR  91           HA       THR  91  11.516 -20.376 -15.086
  719    HB   THR  91           HB       THR  91  13.813 -20.246 -16.268
  720    HG1  THR  91           HG1      THR  91  13.767 -19.522 -18.333
  721   1HG2  THR  91          HG21      THR  91  12.288 -22.199 -16.389
  722   2HG2  THR  91          HG22      THR  91  11.416 -21.440 -17.740
  723   3HG2  THR  91          HG23      THR  91  13.116 -21.921 -17.929
  724    H    GLN  92           H        GLN  92  10.929 -17.137 -15.187
  725    HA   GLN  92           HA       GLN  92  13.262 -16.215 -13.763
  726   1HB   GLN  92          HB2       GLN  92  12.027 -14.288 -13.132
  727   2HB   GLN  92          HB3       GLN  92  11.710 -14.574 -14.817
  728   1HG   GLN  92          HG2       GLN  92   9.792 -15.335 -12.560
  729   2HG   GLN  92          HG3       GLN  92   9.804 -13.781 -13.348
  730   1HE2  GLN  92          HE22      GLN  92   7.444 -14.386 -13.776
  731   2HE2  GLN  92          HE21      GLN  92   7.152 -15.403 -15.146
  732    HA   PRO  93           HA       PRO  93  12.344 -17.804  -9.620
  733   1HB   PRO  93          HB2       PRO  93  12.489 -14.867  -8.828
  734   2HB   PRO  93          HB3       PRO  93  13.179 -16.298  -7.984
  735   1HG   PRO  93          HG2       PRO  93  14.765 -14.743  -9.537
  736   2HG   PRO  93          HG3       PRO  93  14.885 -16.529  -9.671
  737   1HD   PRO  93          HD2       PRO  93  13.405 -14.583 -11.444
  738   2HD   PRO  93          HD3       PRO  93  14.439 -15.969 -11.908
  739    H    ILE  94           H        ILE  94  10.370 -18.344  -8.789
  740    HA   ILE  94           HA       ILE  94   8.145 -16.374  -8.866
  741    HB   ILE  94           HB       ILE  94   8.110 -19.324  -9.595
  742   1HG1  ILE  94          HG12      ILE  94   8.378 -16.966 -11.258
  743   2HG1  ILE  94          HG13      ILE  94   8.563 -18.646 -11.660
  744   1HG2  ILE  94          HG21      ILE  94   6.146 -18.898  -8.280
  745   2HG2  ILE  94          HG22      ILE  94   5.749 -17.452  -9.224
  746   3HG2  ILE  94          HG23      ILE  94   5.663 -19.081  -9.943
  747   1HD1  ILE  94          HD11      ILE  94   5.808 -17.396 -11.561
  748   2HD1  ILE  94          HD12      ILE  94   6.865 -17.207 -12.919
  749   3HD1  ILE  94          HD13      ILE  94   6.367 -18.854 -12.430
  750    H    PHE  95           H        PHE  95   6.764 -16.495  -7.062
  751    HA   PHE  95           HA       PHE  95   7.472 -18.385  -4.849
  752   1HB   PHE  95          HB2       PHE  95   6.569 -15.481  -4.826
  753   2HB   PHE  95          HB3       PHE  95   6.322 -16.543  -3.450
  754    HD1  PHE  95           HD1      PHE  95   8.756 -14.465  -5.192
  755    HD2  PHE  95           HD2      PHE  95   8.296 -17.643  -2.305
  756    HE1  PHE  95           HE1      PHE  95  11.048 -14.014  -4.313
  757    HE2  PHE  95           HE2      PHE  95  10.578 -17.184  -1.440
  758    HZ   PHE  95           HZ       PHE  95  11.946 -15.369  -2.440
  759    H    VAL  96           H        VAL  96   5.644 -19.468  -3.929
  760    HA   VAL  96           HA       VAL  96   3.116 -19.111  -5.462
  761    HB   VAL  96           HB       VAL  96   4.538 -21.726  -4.819
  762   1HG1  VAL  96          HG11      VAL  96   2.139 -22.106  -4.888
  763   2HG1  VAL  96          HG12      VAL  96   1.962 -21.096  -6.333
  764   3HG1  VAL  96          HG13      VAL  96   2.810 -22.666  -6.416
  765   1HG2  VAL  96          HG21      VAL  96   5.765 -20.598  -6.561
  766   2HG2  VAL  96          HG22      VAL  96   4.805 -21.867  -7.317
  767   3HG2  VAL  96          HG23      VAL  96   4.259 -20.171  -7.415
  768    H    ASP  97           H        ASP  97   1.236 -19.923  -4.525
  769    HA   ASP  97           HA       ASP  97  -0.297 -19.454  -3.007
  770   1HB   ASP  97          HB2       ASP  97   0.121 -21.816  -2.451
  771   2HB   ASP  97          HB3       ASP  97   1.289 -21.297  -1.219
  772    H    SER  98           H        SER  98   1.040 -17.362  -3.264
  773    HA   SER  98           HA       SER  98   2.221 -16.371  -0.783
  774   1HB   SER  98          HB2       SER  98   2.914 -15.828  -3.180
  775   2HB   SER  98          HB3       SER  98   1.447 -14.849  -3.293
  776    HG   SER  98           HG       SER  98   3.797 -14.451  -1.810
  777    H    ASP  99           H        ASP  99  -0.449 -14.887  -2.657
  778    HA   ASP  99           HA       ASP  99  -2.543 -14.286  -2.280
  779   1HB   ASP  99          HB2       ASP  99  -3.183 -16.513  -1.974
  780   2HB   ASP  99          HB3       ASP  99  -2.455 -16.614  -0.378
  781    H    HIS 100           H        HIS 100  -0.462 -14.191   0.393
  782    HA   HIS 100           HA       HIS 100  -1.187 -11.534   1.247
  783   1HB   HIS 100          HB2       HIS 100  -1.495 -12.081   3.566
  784   2HB   HIS 100          HB3       HIS 100  -2.808 -12.530   2.517
  785    HD1  HIS 100           HD1      HIS 100  -3.273 -15.247   2.228
  786    HD2  HIS 100           HD2      HIS 100  -0.058 -14.139   4.730
  787    HE1  HIS 100           HE1      HIS 100  -2.596 -17.337   3.506
  788    H    ALA 101           H        ALA 101   0.448 -12.201   3.771
  789    HA   ALA 101           HA       ALA 101   2.543 -11.783   4.356
  790   1HB   ALA 101          HB1       ALA 101   2.920 -14.174   3.916
  791   2HB   ALA 101          HB2       ALA 101   3.329 -13.823   2.223
  792   3HB   ALA 101          HB3       ALA 101   4.364 -13.219   3.534
  793    H    LEU 102           H        LEU 102   4.085 -12.132   1.213
  794    HA   LEU 102           HA       LEU 102   4.785  -9.489   0.748
  795   1HB   LEU 102          HB2       LEU 102   5.301 -11.652  -0.570
  796   2HB   LEU 102          HB3       LEU 102   3.779 -11.413  -1.395
  797    HG   LEU 102           HG       LEU 102   6.291  -9.697  -1.509
  798   1HD1  LEU 102          HD11      LEU 102   4.716 -11.275  -3.586
  799   2HD1  LEU 102          HD12      LEU 102   6.183 -10.334  -3.912
  800   3HD1  LEU 102          HD13      LEU 102   6.258 -11.761  -2.865
  801   1HD2  LEU 102          HD21      LEU 102   5.146  -8.297  -3.227
  802   2HD2  LEU 102          HD22      LEU 102   3.607  -9.075  -2.809
  803   3HD2  LEU 102          HD23      LEU 102   4.471  -8.068  -1.630
  804    H    THR 103           H        THR 103   1.761 -11.155  -0.226
  805    HA   THR 103           HA       THR 103   0.635  -8.871  -1.482
  806    HB   THR 103           HB       THR 103  -1.205 -10.988  -0.593
  807    HG1  THR 103           HG1      THR 103   0.551 -12.325  -1.036
  808   1HG2  THR 103          HG21      THR 103  -1.912 -10.855  -2.943
  809   2HG2  THR 103          HG22      THR 103  -1.892  -9.277  -2.114
  810   3HG2  THR 103          HG23      THR 103  -0.586  -9.700  -3.235
  811    H    ASP 104           H        ASP 104   0.753  -9.652   1.871
  812    HA   ASP 104           HA       ASP 104  -1.520  -7.818   2.505
  813   1HB   ASP 104          HB2       ASP 104  -1.463  -9.899   3.756
  814   2HB   ASP 104          HB3       ASP 104   0.241  -9.672   4.175
  815    H    ALA 105           H        ALA 105   1.887  -7.993   2.111
  816    HA   ALA 105           HA       ALA 105   2.562  -5.928   4.093
  817   1HB   ALA 105          HB1       ALA 105   4.285  -7.257   1.946
  818   2HB   ALA 105          HB2       ALA 105   4.867  -6.229   3.268
  819   3HB   ALA 105          HB3       ALA 105   4.130  -7.799   3.635
  820    H    PHE 106           H        PHE 106   2.094  -6.214   0.607
  821    HA   PHE 106           HA       PHE 106   2.223  -3.244   0.397
  822   1HB   PHE 106          HB2       PHE 106   3.341  -3.330  -1.505
  823   2HB   PHE 106          HB3       PHE 106   4.112  -4.560  -0.580
  824    HD1  PHE 106           HD1      PHE 106   4.800  -4.335  -3.246
  825    HD2  PHE 106           HD2      PHE 106   1.411  -6.470  -1.649
  826    HE1  PHE 106           HE1      PHE 106   4.603  -5.563  -5.353
  827    HE2  PHE 106           HE2      PHE 106   1.257  -7.756  -3.761
  828    HZ   PHE 106           HZ       PHE 106   2.799  -7.254  -5.644
  829    H    GLU 107           H        GLU 107   0.034  -5.358   0.862
  830    HA   GLU 107           HA       GLU 107  -2.114  -5.804   0.301
  831   1HB   GLU 107          HB2       GLU 107  -1.914  -2.786   0.404
  832   2HB   GLU 107          HB3       GLU 107  -3.431  -3.707   0.543
  833   1HG   GLU 107          HG2       GLU 107  -2.486  -4.892   2.529
  834   2HG   GLU 107          HG3       GLU 107  -1.048  -3.867   2.431
  835    H    ASN 108           H        ASN 108  -0.898  -6.333  -2.103
  836    HA   ASN 108           HA       ASN 108  -2.238  -4.965  -4.290
  837   1HB   ASN 108          HB2       ASN 108  -0.260  -6.226  -4.824
  838   2HB   ASN 108          HB3       ASN 108  -0.928  -7.675  -4.048
  839   1HD2  ASN 108          HD22      ASN 108  -0.849  -9.001  -5.955
  840   2HD2  ASN 108          HD21      ASN 108  -2.159  -8.783  -7.099
  841    H    GLU 109           H        GLU 109  -4.438  -4.828  -3.894
  842    HA   GLU 109           HA       GLU 109  -5.998  -7.145  -3.054
  843   1HB   GLU 109          HB2       GLU 109  -6.753  -4.310  -3.892
  844   2HB   GLU 109          HB3       GLU 109  -7.906  -5.522  -3.322
  845   1HG   GLU 109          HG2       GLU 109  -6.644  -5.712  -1.178
  846   2HG   GLU 109          HG3       GLU 109  -5.594  -4.394  -1.693
  847    H    TYR 110           H        TYR 110  -4.491  -6.993  -5.863
  848    HA   TYR 110           HA       TYR 110  -6.862  -7.609  -7.573
  849   1HB   TYR 110          HB2       TYR 110  -4.412  -6.058  -8.463
  850   2HB   TYR 110          HB3       TYR 110  -5.906  -6.296  -9.341
  851    HD1  TYR 110           HD1      TYR 110  -8.055  -5.188  -8.439
  852    HD2  TYR 110           HD2      TYR 110  -4.107  -4.204  -7.002
  853    HE1  TYR 110           HE1      TYR 110  -8.932  -3.068  -7.495
  854    HE2  TYR 110           HE2      TYR 110  -4.968  -2.085  -6.055
  855    HH   TYR 110           HH       TYR 110  -6.839  -0.725  -5.742
  856    H    VAL 111           H        VAL 111  -6.096  -8.589  -9.693
  857    HA   VAL 111           HA       VAL 111  -3.642 -10.173  -9.435
  858    HB   VAL 111           HB       VAL 111  -6.040 -11.528 -10.651
  859   1HG1  VAL 111          HG11      VAL 111  -4.684 -13.530  -9.965
  860   2HG1  VAL 111          HG12      VAL 111  -3.747 -12.506 -11.037
  861   3HG1  VAL 111          HG13      VAL 111  -3.437 -12.443  -9.312
  862   1HG2  VAL 111          HG21      VAL 111  -6.405 -12.706  -8.521
  863   2HG2  VAL 111          HG22      VAL 111  -5.279 -11.600  -7.710
  864   3HG2  VAL 111          HG23      VAL 111  -6.811 -11.012  -8.398
  865    HA   PRO 112           HA       PRO 112  -1.872 -10.260 -13.346
  866   1HB   PRO 112          HB2       PRO 112  -3.394  -8.886 -15.313
  867   2HB   PRO 112          HB3       PRO 112  -2.862 -10.597 -15.230
  868   1HG   PRO 112          HG2       PRO 112  -5.450  -9.394 -14.238
  869   2HG   PRO 112          HG3       PRO 112  -5.195 -10.925 -15.145
  870   1HD   PRO 112          HD2       PRO 112  -5.552 -11.068 -12.575
  871   2HD   PRO 112          HD3       PRO 112  -4.169 -11.961 -13.240
  872    H    ALA 113           H        ALA 113  -1.069  -9.012 -11.499
  873    HA   ALA 113           HA       ALA 113  -1.470  -6.058 -11.791
  874   1HB   ALA 113          HB1       ALA 113  -1.262  -5.871  -9.368
  875   2HB   ALA 113          HB2       ALA 113  -2.631  -6.921  -9.782
  876   3HB   ALA 113          HB3       ALA 113  -1.103  -7.628  -9.209
  877    H    TYR 114           H        TYR 114   0.398  -4.820 -11.685
  878    HA   TYR 114           HA       TYR 114   2.955  -6.352 -11.720
  879   1HB   TYR 114          HB2       TYR 114   2.365  -4.129 -13.654
  880   2HB   TYR 114          HB3       TYR 114   3.489  -5.467 -13.800
  881    HD1  TYR 114           HD1      TYR 114   0.585  -4.130 -15.147
  882    HD2  TYR 114           HD2      TYR 114   2.123  -7.902 -13.746
  883    HE1  TYR 114           HE1      TYR 114  -1.048  -5.319 -16.577
  884    HE2  TYR 114           HE2      TYR 114   0.484  -9.106 -15.155
  885    HH   TYR 114           HH       TYR 114  -1.284  -8.896 -16.657
  886    H    TYR 115           H        TYR 115   4.584  -5.350 -10.678
  887    HA   TYR 115           HA       TYR 115   4.285  -2.487  -9.865
  888   1HB   TYR 115          HB2       TYR 115   5.213  -4.861  -8.193
  889   2HB   TYR 115          HB3       TYR 115   5.295  -3.172  -7.709
  890    HD1  TYR 115           HD1      TYR 115   3.076  -6.076  -8.148
  891    HD2  TYR 115           HD2      TYR 115   3.283  -1.880  -7.182
  892    HE1  TYR 115           HE1      TYR 115   0.789  -6.187  -7.199
  893    HE2  TYR 115           HE2      TYR 115   0.967  -1.957  -6.315
  894    HH   TYR 115           HH       TYR 115  -0.907  -3.230  -5.986
  895    H    VAL 116           H        VAL 116   6.017  -1.322 -10.487
  896    HA   VAL 116           HA       VAL 116   8.433  -2.798 -11.406
  897    HB   VAL 116           HB       VAL 116   7.537  -0.208 -12.654
  898   1HG1  VAL 116          HG11      VAL 116   8.825  -2.724 -13.811
  899   2HG1  VAL 116          HG12      VAL 116   8.652  -1.142 -14.608
  900   3HG1  VAL 116          HG13      VAL 116   9.722  -1.315 -13.208
  901   1HG2  VAL 116          HG21      VAL 116   5.438  -1.413 -12.855
  902   2HG2  VAL 116          HG22      VAL 116   6.249  -1.431 -14.417
  903   3HG2  VAL 116          HG23      VAL 116   6.278  -2.881 -13.393
  904    H    PHE 117           H        PHE 117  10.302  -2.111 -10.513
  905    HA   PHE 117           HA       PHE 117  10.261   0.259  -8.695
  906   1HB   PHE 117          HB2       PHE 117  11.586  -2.479  -8.408
  907   2HB   PHE 117          HB3       PHE 117  11.849  -1.125  -7.332
  908    HD1  PHE 117           HD1      PHE 117   9.096  -3.375  -8.614
  909    HD2  PHE 117           HD2      PHE 117  10.523  -0.901  -5.386
  910    HE1  PHE 117           HE1      PHE 117   7.292  -4.211  -7.166
  911    HE2  PHE 117           HE2      PHE 117   8.619  -1.613  -3.999
  912    HZ   PHE 117           HZ       PHE 117   7.012  -3.321  -4.861
  913    H    ASP 118           H        ASP 118  12.111   1.541  -8.756
  914    HA   ASP 118           HA       ASP 118  13.892   1.318 -11.072
  915   1HB   ASP 118          HB2       ASP 118  13.088   3.480 -10.032
  916   2HB   ASP 118          HB3       ASP 118  14.100   3.095  -8.635
  917    H    LYS 119           H        LYS 119  16.357   1.531 -10.481
  918    HA   LYS 119           HA       LYS 119  17.185  -0.956  -9.282
  919   1HB   LYS 119          HB2       LYS 119  19.483  -0.079  -9.593
  920   2HB   LYS 119          HB3       LYS 119  18.508  -0.010 -11.054
  921   1HG   LYS 119          HG2       LYS 119  18.442   2.270 -11.128
  922   2HG   LYS 119          HG3       LYS 119  18.495   2.485  -9.383
  923   1HD   LYS 119          HD2       LYS 119  20.928   1.569 -10.982
  924   2HD   LYS 119          HD3       LYS 119  20.505   3.263 -10.694
  925   1HE   LYS 119          HE2       LYS 119  20.451   2.787  -8.211
  926   2HE   LYS 119          HE3       LYS 119  21.087   1.173  -8.536
  927   1HZ   LYS 119          HZ1       LYS 119  23.064   2.224  -9.485
  928   2HZ   LYS 119          HZ2       LYS 119  22.425   3.722  -9.282
  929   3HZ   LYS 119          HZ3       LYS 119  22.821   2.803  -7.978
  930    H    THR 120           H        THR 120  16.298   1.937  -7.730
  931    HA   THR 120           HA       THR 120  18.015   1.795  -5.406
  932    HB   THR 120           HB       THR 120  16.286   3.462  -4.616
  933    HG1  THR 120           HG1      THR 120  14.665   3.998  -6.168
  934   1HG2  THR 120          HG21      THR 120  16.743   5.203  -6.233
  935   2HG2  THR 120          HG22      THR 120  18.205   4.206  -6.059
  936   3HG2  THR 120          HG23      THR 120  17.155   4.012  -7.485
  937    H    GLY 121           H        GLY 121  15.342  -0.008  -6.592
  938   1HA   GLY 121          HA2       GLY 121  14.090  -1.699  -5.687
  939   2HA   GLY 121          HA3       GLY 121  14.904  -1.499  -4.114
  940    H    GLN 122           H        GLN 122  13.538   1.335  -5.662
  941    HA   GLN 122           HA       GLN 122  11.353   1.394  -3.637
  942   1HB   GLN 122          HB2       GLN 122  12.585   3.737  -5.139
  943   2HB   GLN 122          HB3       GLN 122  11.423   3.794  -3.816
  944   1HG   GLN 122          HG2       GLN 122  14.351   3.017  -3.702
  945   2HG   GLN 122          HG3       GLN 122  13.586   4.398  -2.945
  946   1HE2  GLN 122          HE22      GLN 122  14.799   1.289  -2.398
  947   2HE2  GLN 122          HE21      GLN 122  13.970   0.947  -0.895
  948    H    LEU 123           H        LEU 123   9.294   1.607  -4.384
  949    HA   LEU 123           HA       LEU 123   8.738   0.611  -6.951
  950   1HB   LEU 123          HB2       LEU 123   7.223   0.457  -4.926
  951   2HB   LEU 123          HB3       LEU 123   6.889   2.182  -5.097
  952    HG   LEU 123           HG       LEU 123   6.016   1.717  -7.414
  953   1HD1  LEU 123          HD11      LEU 123   6.038  -1.198  -6.494
  954   2HD1  LEU 123          HD12      LEU 123   5.424  -0.589  -8.040
  955   3HD1  LEU 123          HD13      LEU 123   7.157  -0.585  -7.707
  956   1HD2  LEU 123          HD21      LEU 123   3.897   0.470  -6.541
  957   2HD2  LEU 123          HD22      LEU 123   4.691   0.672  -4.953
  958   3HD2  LEU 123          HD23      LEU 123   4.313   2.069  -5.951
  959    H    ARG 124           H        ARG 124   8.214   1.570  -8.893
  960    HA   ARG 124           HA       ARG 124   8.406   4.527  -8.997
  961   1HB   ARG 124          HB2       ARG 124  10.531   3.252  -9.554
  962   2HB   ARG 124          HB3       ARG 124   9.684   2.574 -10.937
  963   1HG   ARG 124          HG2       ARG 124  11.101   4.356 -11.641
  964   2HG   ARG 124          HG3       ARG 124   9.441   4.875 -11.893
  965   1HD   ARG 124          HD2       ARG 124  11.049   5.665  -9.418
  966   2HD   ARG 124          HD3       ARG 124  11.179   6.545 -10.932
  967    HE   ARG 124           HE       ARG 124   8.833   7.107 -10.847
  968   1HH1  ARG 124          HH22      ARG 124  10.189   6.015  -7.727
  969   2HH1  ARG 124          HH21      ARG 124   8.855   6.659  -6.827
  970   1HH2  ARG 124          HH11      ARG 124   7.218   8.125  -9.539
  971   2HH2  ARG 124          HH12      ARG 124   7.255   7.901  -7.816
  972    H    HIS 125           H        HIS 125   6.829   1.596 -10.334
  973    HA   HIS 125           HA       HIS 125   4.662   3.368 -11.091
  974   1HB   HIS 125          HB2       HIS 125   6.301   3.137 -13.119
  975   2HB   HIS 125          HB3       HIS 125   5.716   1.474 -13.220
  976    HD1  HIS 125           HD1      HIS 125   4.514   5.110 -13.669
  977    HD2  HIS 125           HD2      HIS 125   3.133   1.154 -13.825
  978    HE1  HIS 125           HE1      HIS 125   2.172   5.231 -14.657
  979    H    PHE 126           H        PHE 126   2.645   2.085 -11.412
  980    HA   PHE 126           HA       PHE 126   2.738  -0.798 -10.852
  981   1HB   PHE 126          HB2       PHE 126   2.307  -0.290  -8.645
  982   2HB   PHE 126          HB3       PHE 126   1.657   1.294  -9.006
  983    HD1  PHE 126           HD1      PHE 126  -0.629   1.706  -8.847
  984    HD2  PHE 126           HD2      PHE 126   0.716  -2.353  -9.413
  985    HE1  PHE 126           HE1      PHE 126  -2.965   0.896  -8.642
  986    HE2  PHE 126           HE2      PHE 126  -1.627  -3.150  -9.259
  987    HZ   PHE 126           HZ       PHE 126  -3.471  -1.532  -8.851
  988    H    GLN 127           H        GLN 127   1.023  -1.848 -11.881
  989    HA   GLN 127           HA       GLN 127  -1.275  -0.387 -12.915
  990   1HB   GLN 127          HB2       GLN 127   0.714  -1.801 -14.751
  991   2HB   GLN 127          HB3       GLN 127  -0.963  -1.534 -15.202
  992   1HG   GLN 127          HG2       GLN 127   1.058   0.638 -14.634
  993   2HG   GLN 127          HG3       GLN 127   0.483   0.155 -16.215
  994   1HE2  GLN 127          HE22      GLN 127   0.240   2.702 -14.364
  995   2HE2  GLN 127          HE21      GLN 127  -1.450   3.140 -14.543
  996    H    ALA 128           H        ALA 128  -2.646  -2.103 -14.175
  997    HA   ALA 128           HA       ALA 128  -2.235  -4.845 -13.325
  998   1HB   ALA 128          HB1       ALA 128  -3.642  -3.895 -11.528
  999   2HB   ALA 128          HB2       ALA 128  -4.809  -3.327 -12.750
 1000   3HB   ALA 128          HB3       ALA 128  -4.553  -5.076 -12.496
 1001    H    GLY 129           H        GLY 129  -3.935  -6.208 -14.493
 1002   1HA   GLY 129          HA2       GLY 129  -3.374  -6.125 -17.124
 1003   2HA   GLY 129          HA3       GLY 129  -4.717  -7.042 -16.451
 1004    H    GLY 130           H        GLY 130  -4.694  -6.184 -19.025
 1005   1HA   GLY 130          HA2       GLY 130  -7.171  -4.871 -19.414
 1006   2HA   GLY 130          HA3       GLY 130  -5.817  -3.784 -19.822
 1007    H    SER 131           H        SER 131  -7.112  -4.352 -22.041
 1008    HA   SER 131           HA       SER 131  -7.018  -6.774 -23.299
 1009   1HB   SER 131          HB2       SER 131  -6.606  -4.081 -24.645
 1010   2HB   SER 131          HB3       SER 131  -7.332  -5.539 -25.347
 1011    HG   SER 131           HG       SER 131  -8.906  -4.030 -24.620
 1012    H    GLY 132           H        GLY 132  -5.312  -8.120 -23.445
 1013   1HA   GLY 132          HA2       GLY 132  -3.320  -9.014 -24.112
 1014   2HA   GLY 132          HA3       GLY 132  -3.053  -7.586 -25.112
 1015    H    MET 133           H        MET 133  -3.515  -6.531 -21.951
 1016    HA   MET 133           HA       MET 133  -2.164  -5.158 -20.797
 1017   1HB   MET 133          HB2       MET 133  -0.806  -6.444 -19.154
 1018   2HB   MET 133          HB3       MET 133  -2.460  -6.951 -19.353
 1019   1HG   MET 133          HG2       MET 133  -1.205  -8.924 -19.150
 1020   2HG   MET 133          HG3       MET 133  -1.721  -8.836 -20.814
 1021   1HE   MET 133          HE1       MET 133   1.089  -8.786 -18.240
 1022   2HE   MET 133          HE2       MET 133   2.572  -8.508 -19.166
 1023   3HE   MET 133          HE3       MET 133   1.443  -7.161 -18.865
 1024    H    LYS 134           H        LYS 134  -1.198  -5.172 -23.514
 1025    HA   LYS 134           HA       LYS 134   1.616  -5.365 -23.637
 1026   1HB   LYS 134          HB2       LYS 134   0.006  -5.327 -25.561
 1027   2HB   LYS 134          HB3       LYS 134  -0.200  -3.585 -25.319
 1028   1HG   LYS 134          HG2       LYS 134   2.197  -3.220 -25.800
 1029   2HG   LYS 134          HG3       LYS 134   2.455  -4.973 -25.922
 1030   1HD   LYS 134          HD2       LYS 134   0.910  -5.062 -27.861
 1031   2HD   LYS 134          HD3       LYS 134   0.645  -3.308 -27.730
 1032   1HE   LYS 134          HE2       LYS 134   3.073  -2.919 -28.102
 1033   2HE   LYS 134          HE3       LYS 134   3.338  -4.663 -28.226
 1034   1HZ   LYS 134          HZ1       LYS 134   1.668  -3.060 -30.078
 1035   2HZ   LYS 134          HZ2       LYS 134   3.156  -3.639 -30.401
 1036   3HZ   LYS 134          HZ3       LYS 134   1.916  -4.672 -30.193
 1037    H    MET 135           H        MET 135  -0.395  -2.746 -22.428
 1038    HA   MET 135           HA       MET 135   1.507  -0.658 -22.418
 1039   1HB   MET 135          HB2       MET 135   0.168   0.038 -20.274
 1040   2HB   MET 135          HB3       MET 135  -0.588   0.084 -21.854
 1041   1HG   MET 135          HG2       MET 135  -2.066  -0.781 -20.079
 1042   2HG   MET 135          HG3       MET 135  -1.880  -1.855 -21.447
 1043   1HE   MET 135          HE1       MET 135  -0.050  -2.676 -17.255
 1044   2HE   MET 135          HE2       MET 135   0.556  -1.381 -18.302
 1045   3HE   MET 135          HE3       MET 135  -1.088  -1.277 -17.626
 1046    H    LEU 136           H        LEU 136   1.533  -3.595 -20.459
 1047    HA   LEU 136           HA       LEU 136   3.139  -2.523 -18.356
 1048   1HB   LEU 136          HB2       LEU 136   1.982  -4.699 -18.184
 1049   2HB   LEU 136          HB3       LEU 136   3.007  -5.366 -19.463
 1050    HG   LEU 136           HG       LEU 136   5.015  -5.104 -18.046
 1051   1HD1  LEU 136          HD11      LEU 136   4.525  -3.125 -16.733
 1052   2HD1  LEU 136          HD12      LEU 136   3.109  -3.902 -15.996
 1053   3HD1  LEU 136          HD13      LEU 136   4.758  -4.466 -15.629
 1054   1HD2  LEU 136          HD21      LEU 136   2.692  -6.486 -16.671
 1055   2HD2  LEU 136          HD22      LEU 136   3.786  -7.172 -17.871
 1056   3HD2  LEU 136          HD23      LEU 136   4.407  -6.742 -16.271
 1057    H    GLU 137           H        GLU 137   3.912  -3.837 -21.588
 1058    HA   GLU 137           HA       GLU 137   6.737  -3.958 -21.355
 1059   1HB   GLU 137          HB2       GLU 137   5.311  -4.755 -23.314
 1060   2HB   GLU 137          HB3       GLU 137   5.145  -3.039 -23.798
 1061   1HG   GLU 137          HG2       GLU 137   7.531  -2.824 -24.131
 1062   2HG   GLU 137          HG3       GLU 137   7.838  -4.409 -23.424
 1063    H    LYS 138           H        LYS 138   4.496  -1.229 -21.984
 1064    HA   LYS 138           HA       LYS 138   6.698   0.616 -22.498
 1065   1HB   LYS 138          HB2       LYS 138   3.709   0.960 -22.122
 1066   2HB   LYS 138          HB3       LYS 138   4.814   2.352 -22.189
 1067   1HG   LYS 138          HG2       LYS 138   5.699   1.686 -24.317
 1068   2HG   LYS 138          HG3       LYS 138   4.829   0.127 -24.279
 1069   1HD   LYS 138          HD2       LYS 138   3.703   1.610 -25.803
 1070   2HD   LYS 138          HD3       LYS 138   2.667   1.348 -24.391
 1071   1HE   LYS 138          HE2       LYS 138   3.367   3.549 -23.468
 1072   2HE   LYS 138          HE3       LYS 138   4.457   3.787 -24.839
 1073   1HZ   LYS 138          HZ1       LYS 138   1.506   3.581 -25.032
 1074   2HZ   LYS 138          HZ2       LYS 138   2.372   4.955 -25.154
 1075   3HZ   LYS 138          HZ3       LYS 138   2.519   3.806 -26.296
 1076    H    ARG 139           H        ARG 139   4.743  -0.224 -19.576
 1077    HA   ARG 139           HA       ARG 139   5.934   1.949 -18.070
 1078   1HB   ARG 139          HB2       ARG 139   4.890  -0.707 -16.967
 1079   2HB   ARG 139          HB3       ARG 139   5.189   0.771 -16.059
 1080   1HG   ARG 139          HG2       ARG 139   2.966   0.239 -18.055
 1081   2HG   ARG 139          HG3       ARG 139   2.852   0.574 -16.336
 1082   1HD   ARG 139          HD2       ARG 139   3.871   2.873 -16.842
 1083   2HD   ARG 139          HD3       ARG 139   3.614   2.526 -18.552
 1084    HE   ARG 139           HE       ARG 139   1.634   3.016 -16.429
 1085   1HH1  ARG 139          HH21      ARG 139   2.100   2.148 -19.843
 1086   2HH1  ARG 139          HH22      ARG 139   0.512   2.628 -20.331
 1087   1HH2  ARG 139          HH11      ARG 139  -0.519   3.512 -17.044
 1088   2HH2  ARG 139          HH12      ARG 139  -1.032   3.363 -18.681
 1089    H    VAL 140           H        VAL 140   6.902  -1.446 -18.610
 1090    HA   VAL 140           HA       VAL 140   9.144  -1.461 -16.810
 1091    HB   VAL 140           HB       VAL 140   8.565  -2.897 -19.437
 1092   1HG1  VAL 140          HG11      VAL 140  10.968  -2.936 -19.150
 1093   2HG1  VAL 140          HG12      VAL 140  10.792  -3.463 -17.462
 1094   3HG1  VAL 140          HG13      VAL 140  10.295  -4.527 -18.807
 1095   1HG2  VAL 140          HG21      VAL 140   8.505  -3.960 -16.556
 1096   2HG2  VAL 140          HG22      VAL 140   7.056  -3.465 -17.432
 1097   3HG2  VAL 140          HG23      VAL 140   8.002  -4.834 -18.024
 1098    H    ASN 141           H        ASN 141   8.716  -0.689 -20.332
 1099    HA   ASN 141           HA       ASN 141  11.448  -0.195 -20.590
 1100   1HB   ASN 141          HB2       ASN 141   9.098   0.410 -22.367
 1101   2HB   ASN 141          HB3       ASN 141  10.604   1.257 -22.686
 1102   1HD2  ASN 141          HD22      ASN 141   9.211  -2.030 -22.419
 1103   2HD2  ASN 141          HD21      ASN 141  10.492  -2.809 -23.349
 1104    H    ARG 142           H        ARG 142   8.829   1.991 -19.606
 1105    HA   ARG 142           HA       ARG 142  10.383   4.399 -19.802
 1106   1HB   ARG 142          HB2       ARG 142   7.961   3.666 -18.131
 1107   2HB   ARG 142          HB3       ARG 142   8.655   5.271 -18.198
 1108   1HG   ARG 142          HG2       ARG 142   6.641   4.225 -19.792
 1109   2HG   ARG 142          HG3       ARG 142   7.433   5.789 -19.939
 1110   1HD   ARG 142          HD2       ARG 142   8.270   3.317 -21.488
 1111   2HD   ARG 142          HD3       ARG 142   7.132   4.500 -22.068
 1112    HE   ARG 142           HE       ARG 142   9.262   6.070 -21.402
 1113   1HH1  ARG 142          HH21      ARG 142   8.873   3.269 -23.539
 1114   2HH1  ARG 142          HH22      ARG 142  10.239   3.645 -24.524
 1115   1HH2  ARG 142          HH11      ARG 142  11.076   6.589 -22.724
 1116   2HH2  ARG 142          HH12      ARG 142  11.506   5.586 -24.054
 1117    H    VAL 143           H        VAL 143   9.869   2.019 -17.121
 1118    HA   VAL 143           HA       VAL 143  11.588   3.430 -15.313
 1119    HB   VAL 143           HB       VAL 143  10.775   0.519 -15.492
 1120   1HG1  VAL 143          HG11      VAL 143  12.892   0.635 -14.281
 1121   2HG1  VAL 143          HG12      VAL 143  12.275   1.945 -13.251
 1122   3HG1  VAL 143          HG13      VAL 143  11.573   0.311 -13.150
 1123   1HG2  VAL 143          HG21      VAL 143   9.893   2.836 -13.699
 1124   2HG2  VAL 143          HG22      VAL 143   8.925   2.082 -14.978
 1125   3HG2  VAL 143          HG23      VAL 143   9.347   1.158 -13.536
 1126    H    LEU 144           H        LEU 144  12.300   1.184 -18.038
 1127    HA   LEU 144           HA       LEU 144  15.094   0.854 -17.302
 1128   1HB   LEU 144          HB2       LEU 144  13.956   0.752 -20.131
 1129   2HB   LEU 144          HB3       LEU 144  15.510   0.162 -19.579
 1130    HG   LEU 144           HG       LEU 144  12.784  -1.023 -19.070
 1131   1HD1  LEU 144          HD11      LEU 144  13.726  -2.975 -20.153
 1132   2HD1  LEU 144          HD12      LEU 144  13.911  -1.542 -21.180
 1133   3HD1  LEU 144          HD13      LEU 144  15.310  -2.172 -20.281
 1134   1HD2  LEU 144          HD21      LEU 144  13.869  -1.151 -16.930
 1135   2HD2  LEU 144          HD22      LEU 144  13.856  -2.744 -17.683
 1136   3HD2  LEU 144          HD23      LEU 144  15.362  -1.789 -17.671
 1137    H    ALA 145           H        ALA 145  13.265   3.128 -19.249
 1138    HA   ALA 145           HA       ALA 145  15.465   4.590 -20.335
 1139   1HB   ALA 145          HB1       ALA 145  12.587   5.497 -19.838
 1140   2HB   ALA 145          HB2       ALA 145  13.757   6.258 -20.932
 1141   3HB   ALA 145          HB3       ALA 145  13.153   4.619 -21.266
 1142    H    GLU 146           H        GLU 146  13.566   4.899 -17.360
 1143    HA   GLU 146           HA       GLU 146  14.811   7.341 -16.439
 1144   1HB   GLU 146          HB2       GLU 146  12.930   5.240 -15.333
 1145   2HB   GLU 146          HB3       GLU 146  13.509   6.552 -14.302
 1146   1HG   GLU 146          HG2       GLU 146  12.020   6.982 -16.935
 1147   2HG   GLU 146          HG3       GLU 146  11.262   6.958 -15.350
 1148    H    THR 147           H        THR 147  15.677   3.951 -16.188
 1149    HA   THR 147           HA       THR 147  17.172   3.991 -13.771
 1150    HB   THR 147           HB       THR 147  17.580   2.365 -16.317
 1151    HG1  THR 147           HG1      THR 147  15.476   2.235 -15.211
 1152   1HG2  THR 147          HG21      THR 147  18.475   1.739 -13.473
 1153   2HG2  THR 147          HG22      THR 147  18.595   0.655 -14.878
 1154   3HG2  THR 147          HG23      THR 147  19.541   2.136 -14.839
 1155    H    GLU 148           H        GLU 148  19.397   4.387 -13.380
 1156    HA   GLU 148           HA       GLU 148  20.604   6.588 -14.651
 1157   1HB   GLU 148          HB2       GLU 148  21.850   4.407 -12.921
 1158   2HB   GLU 148          HB3       GLU 148  22.660   5.897 -13.414
 1159   1HG   GLU 148          HG2       GLU 148  20.814   7.206 -12.291
 1160   2HG   GLU 148          HG3       GLU 148  20.189   5.683 -11.650
  Start of MODEL   10
    1   1H    MET   1           H1       MET   1  -0.760   0.765  -2.273
    2   2H    MET   1           H2       MET   1  -0.016  -0.412  -1.404
    3   3H    MET   1           H3       MET   1   0.206   1.160  -1.009
    4    HA   MET   1           HA       MET   1   2.160   0.436  -2.110
    5   1HB   MET   1          HB2       MET   1   0.203  -0.820  -3.969
    6   2HB   MET   1          HB3       MET   1   1.674  -0.180  -4.693
    7   1HG   MET   1          HG2       MET   1   1.947  -1.852  -2.194
    8   2HG   MET   1          HG3       MET   1   1.574  -2.635  -3.723
    9   1HE   MET   1          HE1       MET   1   4.361  -3.027  -1.829
   10   2HE   MET   1          HE2       MET   1   5.751  -2.164  -2.496
   11   3HE   MET   1          HE3       MET   1   4.525  -1.276  -1.562
   12    H    LYS   2           H        LYS   2   2.278   2.684  -1.580
   13    HA   LYS   2           HA       LYS   2   1.452   4.729  -3.508
   14   1HB   LYS   2          HB2       LYS   2   3.633   4.748  -1.351
   15   2HB   LYS   2          HB3       LYS   2   3.091   6.151  -2.280
   16   1HG   LYS   2          HG2       LYS   2   0.812   5.895  -1.323
   17   2HG   LYS   2          HG3       LYS   2   1.380   4.512  -0.374
   18   1HD   LYS   2          HD2       LYS   2   1.344   6.417   1.087
   19   2HD   LYS   2          HD3       LYS   2   3.013   5.954   0.794
   20   1HE   LYS   2          HE2       LYS   2   2.899   8.345   0.760
   21   2HE   LYS   2          HE3       LYS   2   3.216   7.810  -0.888
   22   1HZ   LYS   2          HZ1       LYS   2   1.527   9.540  -0.795
   23   2HZ   LYS   2          HZ2       LYS   2   0.850   8.178  -1.374
   24   3HZ   LYS   2          HZ3       LYS   2   0.571   8.647   0.169
   25    H    LEU   3           H        LEU   3   2.857   5.715  -5.045
   26    HA   LEU   3           HA       LEU   3   4.915   4.052  -6.289
   27   1HB   LEU   3          HB2       LEU   3   4.095   6.918  -6.916
   28   2HB   LEU   3          HB3       LEU   3   5.100   5.864  -7.907
   29    HG   LEU   3           HG       LEU   3   2.126   5.600  -7.345
   30   1HD1  LEU   3          HD11      LEU   3   1.921   5.851  -9.772
   31   2HD1  LEU   3          HD12      LEU   3   2.805   7.220  -9.079
   32   3HD1  LEU   3          HD13      LEU   3   3.688   5.940  -9.937
   33   1HD2  LEU   3          HD21      LEU   3   3.994   3.581  -8.629
   34   2HD2  LEU   3          HD22      LEU   3   2.845   3.344  -7.297
   35   3HD2  LEU   3          HD23      LEU   3   2.234   3.604  -8.927
   36    H    ARG   4           H        ARG   4   5.868   4.082  -4.050
   37    HA   ARG   4           HA       ARG   4   8.184   5.811  -3.649
   38   1HB   ARG   4          HB2       ARG   4   6.400   7.323  -2.961
   39   2HB   ARG   4          HB3       ARG   4   5.625   6.052  -2.025
   40   1HG   ARG   4          HG2       ARG   4   6.740   7.555  -0.549
   41   2HG   ARG   4          HG3       ARG   4   7.476   5.954  -0.502
   42   1HD   ARG   4          HD2       ARG   4   9.180   7.749  -0.394
   43   2HD   ARG   4          HD3       ARG   4   9.389   6.715  -1.813
   44    HE   ARG   4           HE       ARG   4   7.762   9.042  -2.380
   45   1HH1  ARG   4          HH21      ARG   4  11.142   8.050  -1.947
   46   2HH1  ARG   4          HH22      ARG   4  11.782   9.271  -2.981
   47   1HH2  ARG   4          HH11      ARG   4   8.613  10.674  -3.760
   48   2HH2  ARG   4          HH12      ARG   4  10.309  10.804  -4.021
   49    H    GLN   5           H        GLN   5   5.879   3.253  -2.489
   50    HA   GLN   5           HA       GLN   5   7.252   2.684  -0.088
   51   1HB   GLN   5          HB2       GLN   5   5.255   1.221  -1.836
   52   2HB   GLN   5          HB3       GLN   5   6.071   0.326  -0.559
   53   1HG   GLN   5          HG2       GLN   5   5.279   1.874   1.154
   54   2HG   GLN   5          HG3       GLN   5   4.481   2.862  -0.080
   55   1HE2  GLN   5          HE22      GLN   5   4.572  -0.642   1.012
   56   2HE2  GLN   5          HE21      GLN   5   2.870  -0.895   0.773
   57    HA   PRO   6           HA       PRO   6  10.534  -0.039  -1.622
   58   1HB   PRO   6          HB2       PRO   6  11.086  -1.521   0.599
   59   2HB   PRO   6          HB3       PRO   6  11.544   0.202   0.493
   60   1HG   PRO   6          HG2       PRO   6   9.103  -0.999   1.830
   61   2HG   PRO   6          HG3       PRO   6  10.236   0.225   2.488
   62   1HD   PRO   6          HD2       PRO   6   7.835   0.869   1.314
   63   2HD   PRO   6          HD3       PRO   6   9.263   1.940   1.210
   64    H    MET   7           H        MET   7  10.740  -2.524  -1.849
   65    HA   MET   7           HA       MET   7   8.380  -3.869  -2.504
   66   1HB   MET   7          HB2       MET   7  10.984  -5.028  -1.429
   67   2HB   MET   7          HB3       MET   7   9.621  -6.016  -1.918
   68   1HG   MET   7          HG2       MET   7  11.045  -5.907  -3.784
   69   2HG   MET   7          HG3       MET   7   9.612  -4.958  -4.156
   70   1HE   MET   7          HE1       MET   7  12.504  -5.127  -5.525
   71   2HE   MET   7          HE2       MET   7  11.001  -4.391  -6.146
   72   3HE   MET   7          HE3       MET   7  12.534  -3.465  -6.178
   73    HA   PRO   8           HA       PRO   8   6.764  -4.723   1.719
   74   1HB   PRO   8          HB2       PRO   8   4.932  -6.651   1.220
   75   2HB   PRO   8          HB3       PRO   8   4.720  -4.999   0.569
   76   1HG   PRO   8          HG2       PRO   8   5.899  -7.427  -0.838
   77   2HG   PRO   8          HG3       PRO   8   4.604  -6.357  -1.433
   78   1HD   PRO   8          HD2       PRO   8   7.214  -5.982  -2.151
   79   2HD   PRO   8          HD3       PRO   8   6.090  -4.611  -1.935
   80    H    GLU   9           H        GLU   9   6.295  -7.123   2.887
   81    HA   GLU   9           HA       GLU   9   8.813  -8.612   2.781
   82   1HB   GLU   9          HB2       GLU   9   7.783 -10.118   4.365
   83   2HB   GLU   9          HB3       GLU   9   7.584  -8.448   4.904
   84   1HG   GLU   9          HG2       GLU   9   5.228  -8.530   3.931
   85   2HG   GLU   9          HG3       GLU   9   5.487 -10.256   3.659
   86    H    LEU  10           H        LEU  10   9.125 -10.321   1.395
   87    HA   LEU  10           HA       LEU  10   7.067 -10.573  -0.728
   88   1HB   LEU  10          HB2       LEU  10  10.023 -11.262  -0.789
   89   2HB   LEU  10          HB3       LEU  10   8.872 -11.517  -2.108
   90    HG   LEU  10           HG       LEU  10   9.541  -8.792  -0.938
   91   1HD1  LEU  10          HD11      LEU  10  10.468 -10.045  -3.552
   92   2HD1  LEU  10          HD12      LEU  10  10.828  -8.401  -2.979
   93   3HD1  LEU  10          HD13      LEU  10  11.465  -9.800  -2.101
   94   1HD2  LEU  10          HD21      LEU  10   7.299  -8.836  -1.963
   95   2HD2  LEU  10          HD22      LEU  10   8.417  -7.918  -2.972
   96   3HD2  LEU  10          HD23      LEU  10   7.972  -9.573  -3.434
   97    H    THR  11           H        THR  11   5.886 -11.762   0.960
   98    HA   THR  11           HA       THR  11   6.717 -14.344   1.827
   99    HB   THR  11           HB       THR  11   4.063 -14.463   2.111
  100    HG1  THR  11           HG1      THR  11   3.232 -12.340   2.298
  101   1HG2  THR  11          HG21      THR  11   4.310 -13.125   4.204
  102   2HG2  THR  11          HG22      THR  11   5.652 -14.254   3.965
  103   3HG2  THR  11          HG23      THR  11   5.883 -12.528   3.620
  104    H    GLY  12           H        GLY  12   5.962 -16.371   1.181
  105   1HA   GLY  12          HA2       GLY  12   4.667 -16.833  -1.381
  106   2HA   GLY  12          HA3       GLY  12   6.410 -17.241  -1.332
  107    H    GLU  13           H        GLU  13   3.435 -17.491   0.595
  108    HA   GLU  13           HA       GLU  13   4.329 -19.250   2.522
  109   1HB   GLU  13          HB2       GLU  13   2.306 -17.720   2.477
  110   2HB   GLU  13          HB3       GLU  13   1.475 -18.928   1.513
  111   1HG   GLU  13          HG2       GLU  13   0.762 -19.148   3.788
  112   2HG   GLU  13          HG3       GLU  13   1.744 -20.557   3.434
  113    H    LYS  14           H        LYS  14   3.377 -20.127  -0.760
  114    HA   LYS  14           HA       LYS  14   2.876 -22.940  -0.080
  115   1HB   LYS  14          HB2       LYS  14   1.870 -21.638  -2.044
  116   2HB   LYS  14          HB3       LYS  14   3.416 -21.826  -2.849
  117   1HG   LYS  14          HG2       LYS  14   1.643 -24.082  -1.817
  118   2HG   LYS  14          HG3       LYS  14   1.628 -23.479  -3.465
  119   1HD   LYS  14          HD2       LYS  14   3.969 -24.894  -2.125
  120   2HD   LYS  14          HD3       LYS  14   2.833 -25.587  -3.278
  121   1HE   LYS  14          HE2       LYS  14   3.573 -23.908  -4.999
  122   2HE   LYS  14          HE3       LYS  14   4.773 -23.303  -3.863
  123   1HZ   LYS  14          HZ1       LYS  14   5.752 -25.582  -3.867
  124   2HZ   LYS  14          HZ2       LYS  14   4.656 -26.064  -4.969
  125   3HZ   LYS  14          HZ3       LYS  14   5.753 -24.931  -5.366
  126    H    ALA  15           H        ALA  15   5.402 -21.216  -2.018
  127    HA   ALA  15           HA       ALA  15   7.634 -22.027  -0.597
  128   1HB   ALA  15          HB1       ALA  15   7.162 -24.389  -1.400
  129   2HB   ALA  15          HB2       ALA  15   7.201 -23.781  -3.074
  130   3HB   ALA  15          HB3       ALA  15   8.654 -23.746  -2.066
  131    H    TRP  16           H        TRP  16   9.662 -21.794  -2.155
  132    HA   TRP  16           HA       TRP  16   9.210 -19.640  -4.161
  133   1HB   TRP  16          HB2       TRP  16  11.600 -19.460  -4.195
  134   2HB   TRP  16          HB3       TRP  16  11.023 -19.308  -2.549
  135    HD1  TRP  16           HD1      TRP  16  11.980 -21.008  -0.788
  136    HE1  TRP  16           HE1      TRP  16  13.779 -22.817  -0.839
  137    HE3  TRP  16           HE3      TRP  16  12.571 -21.350  -5.823
  138    HZ2  TRP  16           HZ2      TRP  16  15.321 -24.255  -2.861
  139    HZ3  TRP  16           HZ3      TRP  16  14.230 -22.935  -6.819
  140    HH2  TRP  16           HH2      TRP  16  15.603 -24.385  -5.337
  141    H    LEU  17           H        LEU  17  10.004 -20.004  -6.346
  142    HA   LEU  17           HA       LEU  17  10.442 -22.785  -7.237
  143   1HB   LEU  17          HB2       LEU  17   7.991 -22.431  -7.231
  144   2HB   LEU  17          HB3       LEU  17   8.202 -20.906  -8.087
  145    HG   LEU  17           HG       LEU  17   9.066 -22.137 -10.074
  146   1HD1  LEU  17          HD11      LEU  17   8.263 -24.622  -8.477
  147   2HD1  LEU  17          HD12      LEU  17   8.703 -24.600 -10.199
  148   3HD1  LEU  17          HD13      LEU  17   9.914 -24.203  -8.976
  149   1HD2  LEU  17          HD21      LEU  17   6.859 -23.051 -10.742
  150   2HD2  LEU  17          HD22      LEU  17   6.339 -23.057  -9.036
  151   3HD2  LEU  17          HD23      LEU  17   6.673 -21.525  -9.867
  152    H    ASN  18           H        ASN  18  11.568 -22.772  -9.244
  153    HA   ASN  18           HA       ASN  18  13.056 -22.141 -10.684
  154   1HB   ASN  18          HB2       ASN  18  11.428 -19.587 -10.863
  155   2HB   ASN  18          HB3       ASN  18  12.817 -19.858 -11.883
  156   1HD2  ASN  18          HD22      ASN  18  10.457 -19.245 -12.963
  157   2HD2  ASN  18          HD21      ASN  18   9.902 -20.597 -13.945
  158    H    GLY  19           H        GLY  19  12.942 -20.443  -7.934
  159   1HA   GLY  19          HA2       GLY  19  15.567 -20.207  -7.275
  160   2HA   GLY  19          HA3       GLY  19  15.247 -18.750  -8.244
  161    H    GLU  20           H        GLU  20  15.883 -18.463  -5.735
  162    HA   GLU  20           HA       GLU  20  13.459 -17.408  -4.368
  163   1HB   GLU  20          HB2       GLU  20  14.352 -19.458  -3.243
  164   2HB   GLU  20          HB3       GLU  20  15.926 -18.655  -3.096
  165   1HG   GLU  20          HG2       GLU  20  14.909 -16.901  -1.691
  166   2HG   GLU  20          HG3       GLU  20  13.316 -17.631  -1.907
  167    H    VAL  21           H        VAL  21  13.724 -15.291  -3.649
  168    HA   VAL  21           HA       VAL  21  16.275 -13.869  -3.891
  169    HB   VAL  21           HB       VAL  21  14.912 -12.216  -5.455
  170   1HG1  VAL  21          HG11      VAL  21  15.879 -13.240  -7.447
  171   2HG1  VAL  21          HG12      VAL  21  17.002 -13.212  -6.076
  172   3HG1  VAL  21          HG13      VAL  21  16.191 -14.735  -6.549
  173   1HG2  VAL  21          HG21      VAL  21  12.779 -13.500  -5.443
  174   2HG2  VAL  21          HG22      VAL  21  13.426 -13.256  -7.069
  175   3HG2  VAL  21          HG23      VAL  21  13.592 -14.837  -6.278
  176    H    THR  22           H        THR  22  15.972 -11.593  -3.314
  177    HA   THR  22           HA       THR  22  13.470 -10.805  -1.993
  178    HB   THR  22           HB       THR  22  14.828  -9.719  -0.205
  179    HG1  THR  22           HG1      THR  22  16.983 -10.222  -0.005
  180   1HG2  THR  22          HG21      THR  22  13.847 -11.885   0.310
  181   2HG2  THR  22          HG22      THR  22  15.277 -12.700  -0.368
  182   3HG2  THR  22          HG23      THR  22  15.435 -11.686   1.093
  183    H    ARG  23           H        ARG  23  13.616  -8.328  -1.687
  184    HA   ARG  23           HA       ARG  23  14.469  -6.854  -3.968
  185   1HB   ARG  23          HB2       ARG  23  12.895  -5.922  -2.431
  186   2HB   ARG  23          HB3       ARG  23  13.942  -6.198  -1.036
  187   1HG   ARG  23          HG2       ARG  23  15.497  -4.396  -1.957
  188   2HG   ARG  23          HG3       ARG  23  14.243  -4.057  -3.165
  189   1HD   ARG  23          HD2       ARG  23  12.620  -3.637  -1.316
  190   2HD   ARG  23          HD3       ARG  23  13.868  -3.966  -0.127
  191    HE   ARG  23           HE       ARG  23  13.443  -1.548  -1.721
  192   1HH1  ARG  23          HH21      ARG  23  15.873  -3.292   0.209
  193   2HH1  ARG  23          HH22      ARG  23  16.686  -1.860   0.718
  194   1HH2  ARG  23          HH11      ARG  23  14.444   0.358  -0.918
  195   2HH2  ARG  23          HH12      ARG  23  15.897   0.242   0.003
  196    H    GLU  24           H        GLU  24  16.160  -7.540  -0.814
  197    HA   GLU  24           HA       GLU  24  18.196  -5.654  -1.625
  198   1HB   GLU  24          HB2       GLU  24  18.105  -7.663   0.692
  199   2HB   GLU  24          HB3       GLU  24  19.357  -6.430   0.491
  200   1HG   GLU  24          HG2       GLU  24  17.627  -4.650   0.593
  201   2HG   GLU  24          HG3       GLU  24  16.381  -5.872   0.859
  202    H    GLN  25           H        GLN  25  17.877  -9.163  -2.081
  203    HA   GLN  25           HA       GLN  25  20.694  -9.615  -2.283
  204   1HB   GLN  25          HB2       GLN  25  18.241 -11.160  -3.122
  205   2HB   GLN  25          HB3       GLN  25  19.836 -11.693  -3.664
  206   1HG   GLN  25          HG2       GLN  25  20.670 -11.886  -1.402
  207   2HG   GLN  25          HG3       GLN  25  19.189 -11.194  -0.733
  208   1HE2  GLN  25          HE22      GLN  25  17.144 -12.356  -1.254
  209   2HE2  GLN  25          HE21      GLN  25  17.175 -14.124  -1.281
  210    H    LEU  26           H        LEU  26  18.302  -8.475  -4.610
  211    HA   LEU  26           HA       LEU  26  20.415  -8.466  -6.715
  212   1HB   LEU  26          HB2       LEU  26  18.529  -8.728  -8.338
  213   2HB   LEU  26          HB3       LEU  26  18.997 -10.096  -7.352
  214    HG   LEU  26           HG       LEU  26  17.058  -9.905  -5.956
  215   1HD1  LEU  26          HD11      LEU  26  16.078  -7.592  -7.688
  216   2HD1  LEU  26          HD12      LEU  26  15.176  -8.420  -6.413
  217   3HD1  LEU  26          HD13      LEU  26  16.592  -7.469  -5.999
  218   1HD2  LEU  26          HD21      LEU  26  15.373 -10.555  -7.630
  219   2HD2  LEU  26          HD22      LEU  26  16.387  -9.866  -8.919
  220   3HD2  LEU  26          HD23      LEU  26  16.966 -11.246  -7.986
  221    H    ILE  27           H        ILE  27  18.524  -6.308  -4.878
  222    HA   ILE  27           HA       ILE  27  18.461  -4.200  -6.836
  223    HB   ILE  27           HB       ILE  27  18.208  -4.424  -3.845
  224   1HG1  ILE  27          HG12      ILE  27  16.255  -4.839  -5.249
  225   2HG1  ILE  27          HG13      ILE  27  16.040  -3.375  -4.284
  226   1HG2  ILE  27          HG21      ILE  27  18.421  -1.679  -5.084
  227   2HG2  ILE  27          HG22      ILE  27  17.809  -2.063  -3.471
  228   3HG2  ILE  27          HG23      ILE  27  19.491  -2.401  -3.867
  229   1HD1  ILE  27          HD11      ILE  27  16.553  -3.595  -7.256
  230   2HD1  ILE  27          HD12      ILE  27  15.102  -3.044  -6.431
  231   3HD1  ILE  27          HD13      ILE  27  16.583  -2.064  -6.352
  232    H    GLY  28           H        GLY  28  19.645  -2.289  -6.829
  233   1HA   GLY  28          HA2       GLY  28  21.728  -1.333  -5.680
  234   2HA   GLY  28          HA3       GLY  28  22.585  -2.672  -6.467
  235    H    GLU  29           H        GLU  29  21.191  -2.690  -8.956
  236    HA   GLU  29           HA       GLU  29  21.650   0.010 -10.105
  237   1HB   GLU  29          HB2       GLU  29  23.836  -1.235  -9.990
  238   2HB   GLU  29          HB3       GLU  29  23.139  -2.450 -11.075
  239   1HG   GLU  29          HG2       GLU  29  22.810  -0.719 -12.808
  240   2HG   GLU  29          HG3       GLU  29  23.368   0.538 -11.702
  241    H    LYS  30           H        LYS  30  20.190  -3.208 -10.415
  242    HA   LYS  30           HA       LYS  30  19.072  -2.430 -13.066
  243   1HB   LYS  30          HB2       LYS  30  19.000  -5.108 -11.619
  244   2HB   LYS  30          HB3       LYS  30  18.358  -4.782 -13.223
  245   1HG   LYS  30          HG2       LYS  30  21.295  -4.684 -12.394
  246   2HG   LYS  30          HG3       LYS  30  20.504  -5.953 -13.318
  247   1HD   LYS  30          HD2       LYS  30  21.157  -4.906 -15.189
  248   2HD   LYS  30          HD3       LYS  30  19.958  -3.672 -14.840
  249   1HE   LYS  30          HE2       LYS  30  21.984  -2.512 -15.231
  250   2HE   LYS  30          HE3       LYS  30  21.705  -2.436 -13.494
  251   1HZ   LYS  30          HZ1       LYS  30  23.311  -4.327 -13.301
  252   2HZ   LYS  30          HZ2       LYS  30  23.608  -4.223 -14.905
  253   3HZ   LYS  30          HZ3       LYS  30  23.996  -2.975 -13.916
  254    HA   PRO  31           HA       PRO  31  15.279  -1.551 -10.751
  255   1HB   PRO  31          HB2       PRO  31  13.480  -1.472 -12.819
  256   2HB   PRO  31          HB3       PRO  31  14.649  -0.153 -12.481
  257   1HG   PRO  31          HG2       PRO  31  14.893  -2.406 -14.494
  258   2HG   PRO  31          HG3       PRO  31  15.191  -0.656 -14.744
  259   1HD   PRO  31          HD2       PRO  31  17.206  -2.429 -14.243
  260   2HD   PRO  31          HD3       PRO  31  17.248  -0.758 -13.604
  261    H    THR  32           H        THR  32  13.049  -2.639 -10.595
  262    HA   THR  32           HA       THR  32  13.322  -5.567 -11.054
  263    HB   THR  32           HB       THR  32  12.487  -4.192  -8.475
  264    HG1  THR  32           HG1      THR  32  14.656  -3.932  -8.712
  265   1HG2  THR  32          HG21      THR  32  13.104  -7.137  -8.944
  266   2HG2  THR  32          HG22      THR  32  12.674  -6.386  -7.413
  267   3HG2  THR  32          HG23      THR  32  11.478  -6.456  -8.715
  268    H    LEU  33           H        LEU  33  11.472  -6.665 -11.448
  269    HA   LEU  33           HA       LEU  33   8.934  -5.099 -11.644
  270   1HB   LEU  33          HB2       LEU  33   9.930  -5.282 -13.875
  271   2HB   LEU  33          HB3       LEU  33  10.093  -7.031 -13.720
  272    HG   LEU  33           HG       LEU  33   8.247  -6.119 -15.171
  273   1HD1  LEU  33          HD11      LEU  33   8.224  -8.430 -14.476
  274   2HD1  LEU  33          HD12      LEU  33   7.310  -8.030 -13.006
  275   3HD1  LEU  33          HD13      LEU  33   6.582  -7.774 -14.592
  276   1HD2  LEU  33          HD21      LEU  33   6.748  -5.566 -12.590
  277   2HD2  LEU  33          HD22      LEU  33   7.529  -4.322 -13.597
  278   3HD2  LEU  33          HD23      LEU  33   6.208  -5.303 -14.256
  279    H    ILE  34           H        ILE  34   7.499  -6.047 -10.328
  280    HA   ILE  34           HA       ILE  34   7.683  -8.987  -9.814
  281    HB   ILE  34           HB       ILE  34   6.349  -6.776  -8.199
  282   1HG1  ILE  34          HG12      ILE  34   8.861  -8.355  -7.549
  283   2HG1  ILE  34          HG13      ILE  34   8.785  -6.642  -7.955
  284   1HG2  ILE  34          HG21      ILE  34   5.803  -8.491  -6.547
  285   2HG2  ILE  34          HG22      ILE  34   5.134  -8.953  -8.096
  286   3HG2  ILE  34          HG23      ILE  34   6.632  -9.729  -7.520
  287   1HD1  ILE  34          HD11      ILE  34   7.365  -6.297  -5.889
  288   2HD1  ILE  34          HD12      ILE  34   7.733  -7.980  -5.445
  289   3HD1  ILE  34          HD13      ILE  34   9.044  -6.803  -5.602
  290    H    HIS  35           H        HIS  35   6.003 -10.134 -10.798
  291    HA   HIS  35           HA       HIS  35   3.511  -8.600 -11.367
  292   1HB   HIS  35          HB2       HIS  35   3.058  -9.901 -13.303
  293   2HB   HIS  35          HB3       HIS  35   4.576  -8.999 -13.538
  294    HD1  HIS  35           HD1      HIS  35   3.005 -12.350 -13.751
  295    HD2  HIS  35           HD2      HIS  35   6.856 -10.677 -13.573
  296    HE1  HIS  35           HE1      HIS  35   4.629 -14.203 -14.394
  297    H    PHE  36           H        PHE  36   1.579  -9.717 -11.159
  298    HA   PHE  36           HA       PHE  36   1.672 -12.242  -9.620
  299   1HB   PHE  36          HB2       PHE  36  -0.130  -9.810  -9.564
  300   2HB   PHE  36          HB3       PHE  36  -0.738 -11.399  -9.120
  301    HD1  PHE  36           HD1      PHE  36  -1.026 -11.616  -6.882
  302    HD2  PHE  36           HD2      PHE  36   2.478  -9.512  -8.270
  303    HE1  PHE  36           HE1      PHE  36  -0.190 -11.444  -4.568
  304    HE2  PHE  36           HE2      PHE  36   3.269  -9.320  -5.947
  305    HZ   PHE  36           HZ       PHE  36   1.921 -10.278  -4.093
  306    H    TRP  37           H        TRP  37   0.496 -13.877 -10.449
  307    HA   TRP  37           HA       TRP  37  -1.452 -13.612 -12.591
  308   1HB   TRP  37          HB2       TRP  37  -0.269 -15.049 -14.149
  309   2HB   TRP  37          HB3       TRP  37   0.697 -13.627 -13.846
  310    HD1  TRP  37           HD1      TRP  37   2.955 -14.038 -12.212
  311    HE1  TRP  37           HE1      TRP  37   4.388 -16.092 -11.862
  312    HE3  TRP  37           HE3      TRP  37  -0.085 -17.535 -14.405
  313    HZ2  TRP  37           HZ2      TRP  37   4.261 -18.956 -12.458
  314    HZ3  TRP  37           HZ3      TRP  37   0.646 -19.884 -14.593
  315    HH2  TRP  37           HH2      TRP  37   2.809 -20.618 -13.599
  316    H    SER  38           H        SER  38  -2.158 -16.078 -13.096
  317    HA   SER  38           HA       SER  38  -1.456 -18.020 -11.059
  318   1HB   SER  38          HB2       SER  38  -4.395 -17.810 -11.624
  319   2HB   SER  38          HB3       SER  38  -3.556 -18.545 -10.260
  320    HG   SER  38           HG       SER  38  -3.609 -16.725  -9.231
  321    H    ILE  39           H        ILE  39  -2.055 -20.223 -11.848
  322    HA   ILE  39           HA       ILE  39  -1.608 -20.564 -14.600
  323    HB   ILE  39           HB       ILE  39  -2.366 -22.937 -14.205
  324   1HG1  ILE  39          HG12      ILE  39  -2.607 -22.053 -11.290
  325   2HG1  ILE  39          HG13      ILE  39  -3.944 -22.532 -12.334
  326   1HG2  ILE  39          HG21      ILE  39  -0.339 -23.494 -13.120
  327   2HG2  ILE  39          HG22      ILE  39  -0.016 -22.040 -14.032
  328   3HG2  ILE  39          HG23      ILE  39  -0.244 -21.930 -12.278
  329   1HD1  ILE  39          HD11      ILE  39  -1.655 -24.380 -11.503
  330   2HD1  ILE  39          HD12      ILE  39  -3.273 -24.339 -10.798
  331   3HD1  ILE  39          HD13      ILE  39  -3.069 -24.801 -12.489
  332    H    SER  40           H        SER  40  -4.758 -20.144 -12.994
  333    HA   SER  40           HA       SER  40  -6.035 -20.441 -15.680
  334   1HB   SER  40          HB2       SER  40  -7.019 -21.491 -13.002
  335   2HB   SER  40          HB3       SER  40  -7.829 -21.663 -14.567
  336    HG   SER  40           HG       SER  40  -6.588 -23.511 -13.912
  337    H    CYS  41           H        CYS  41  -5.535 -17.916 -15.377
  338    HA   CYS  41           HA       CYS  41  -8.161 -16.804 -14.589
  339   1HB   CYS  41          HB2       CYS  41  -6.906 -14.638 -13.972
  340   2HB   CYS  41          HB3       CYS  41  -7.083 -15.925 -12.817
  341    H    HIS  42           H        HIS  42  -8.945 -15.140 -15.750
  342    HA   HIS  42           HA       HIS  42  -8.191 -14.859 -18.506
  343   1HB   HIS  42          HB2       HIS  42  -9.876 -13.052 -16.711
  344   2HB   HIS  42          HB3       HIS  42  -9.802 -12.975 -18.468
  345    HD1  HIS  42           HD1      HIS  42 -10.685 -15.446 -19.704
  346    HD2  HIS  42           HD2      HIS  42 -11.816 -14.510 -15.755
  347    HE1  HIS  42           HE1      HIS  42 -12.694 -16.910 -19.170
  348    H    LEU  43           H        LEU  43  -7.313 -13.012 -19.476
  349    HA   LEU  43           HA       LEU  43  -5.564 -11.842 -19.970
  350   1HB   LEU  43          HB2       LEU  43  -7.032 -10.274 -18.360
  351   2HB   LEU  43          HB3       LEU  43  -5.537 -10.250 -17.450
  352    HG   LEU  43           HG       LEU  43  -5.816  -8.349 -18.974
  353   1HD1  LEU  43          HD11      LEU  43  -3.497  -9.947 -20.083
  354   2HD1  LEU  43          HD12      LEU  43  -3.650  -8.203 -19.841
  355   3HD1  LEU  43          HD13      LEU  43  -3.494  -9.277 -18.440
  356   1HD2  LEU  43          HD21      LEU  43  -5.530 -10.267 -21.336
  357   2HD2  LEU  43          HD22      LEU  43  -7.070  -9.589 -20.775
  358   3HD2  LEU  43          HD23      LEU  43  -5.793  -8.515 -21.365
  359    H    CYS  44           H        CYS  44  -5.096 -13.473 -16.862
  360    HA   CYS  44           HA       CYS  44  -2.263 -13.294 -16.781
  361   1HB   CYS  44          HB2       CYS  44  -3.948 -15.746 -16.169
  362   2HB   CYS  44          HB3       CYS  44  -2.339 -15.405 -15.575
  363    H    LYS  45           H        LYS  45  -4.487 -15.285 -18.705
  364    HA   LYS  45           HA       LYS  45  -2.669 -16.796 -20.188
  365   1HB   LYS  45          HB2       LYS  45  -4.536 -16.709 -21.965
  366   2HB   LYS  45          HB3       LYS  45  -4.812 -17.463 -20.401
  367   1HG   LYS  45          HG2       LYS  45  -6.791 -16.366 -20.929
  368   2HG   LYS  45          HG3       LYS  45  -6.054 -15.429 -19.653
  369   1HD   LYS  45          HD2       LYS  45  -7.034 -13.967 -21.270
  370   2HD   LYS  45          HD3       LYS  45  -5.272 -13.768 -21.365
  371   1HE   LYS  45          HE2       LYS  45  -5.129 -14.921 -23.431
  372   2HE   LYS  45          HE3       LYS  45  -6.669 -15.757 -23.181
  373   1HZ   LYS  45          HZ1       LYS  45  -6.879 -14.040 -24.847
  374   2HZ   LYS  45          HZ2       LYS  45  -7.826 -13.677 -23.579
  375   3HZ   LYS  45          HZ3       LYS  45  -6.418 -12.861 -23.812
  376    H    GLU  46           H        GLU  46  -2.968 -13.333 -20.412
  377    HA   GLU  46           HA       GLU  46  -1.290 -13.466 -22.889
  378   1HB   GLU  46          HB2       GLU  46  -3.150 -11.304 -21.889
  379   2HB   GLU  46          HB3       GLU  46  -1.876 -10.994 -23.089
  380   1HG   GLU  46          HG2       GLU  46  -2.770 -12.759 -24.549
  381   2HG   GLU  46          HG3       GLU  46  -3.984 -13.157 -23.336
  382    H    ALA  47           H        ALA  47  -1.455 -12.400 -19.500
  383    HA   ALA  47           HA       ALA  47   1.006 -10.977 -19.521
  384   1HB   ALA  47          HB1       ALA  47   1.034 -11.350 -17.101
  385   2HB   ALA  47          HB2       ALA  47  -0.619 -10.943 -17.605
  386   3HB   ALA  47          HB3       ALA  47  -0.179 -12.631 -17.244
  387    H    MET  48           H        MET  48   0.345 -14.486 -18.965
  388    HA   MET  48           HA       MET  48   2.972 -15.246 -18.315
  389   1HB   MET  48          HB2       MET  48   0.618 -16.659 -19.607
  390   2HB   MET  48          HB3       MET  48   2.108 -17.519 -19.216
  391   1HG   MET  48          HG2       MET  48   1.789 -17.337 -16.926
  392   2HG   MET  48          HG3       MET  48   0.840 -15.865 -17.045
  393   1HE   MET  48          HE1       MET  48   0.676 -19.575 -18.315
  394   2HE   MET  48          HE2       MET  48  -1.080 -19.879 -18.327
  395   3HE   MET  48          HE3       MET  48  -0.370 -18.729 -19.478
  396    HA   PRO  49           HA       PRO  49   4.058 -16.127 -22.854
  397   1HB   PRO  49          HB2       PRO  49   2.712 -14.705 -24.848
  398   2HB   PRO  49          HB3       PRO  49   2.388 -16.409 -24.371
  399   1HG   PRO  49          HG2       PRO  49   0.942 -13.902 -23.586
  400   2HG   PRO  49          HG3       PRO  49   0.256 -15.502 -23.981
  401   1HD   PRO  49          HD2       PRO  49   0.564 -14.665 -21.409
  402   2HD   PRO  49          HD3       PRO  49   0.789 -16.374 -21.866
  403    H    GLN  50           H        GLN  50   2.830 -12.791 -22.023
  404    HA   GLN  50           HA       GLN  50   4.908 -11.622 -23.709
  405   1HB   GLN  50          HB2       GLN  50   2.592 -10.758 -23.369
  406   2HB   GLN  50          HB3       GLN  50   3.026 -10.306 -21.718
  407   1HG   GLN  50          HG2       GLN  50   4.441  -8.562 -22.462
  408   2HG   GLN  50          HG3       GLN  50   4.722  -9.327 -24.039
  409   1HE2  GLN  50          HE22      GLN  50   1.820  -8.322 -22.150
  410   2HE2  GLN  50          HE21      GLN  50   0.923  -7.731 -23.512
  411    H    VAL  51           H        VAL  51   4.402 -12.359 -20.294
  412    HA   VAL  51           HA       VAL  51   6.695 -11.160 -19.161
  413    HB   VAL  51           HB       VAL  51   4.954 -13.548 -18.535
  414   1HG1  VAL  51          HG11      VAL  51   7.238 -12.695 -16.736
  415   2HG1  VAL  51          HG12      VAL  51   6.001 -13.943 -16.445
  416   3HG1  VAL  51          HG13      VAL  51   7.199 -14.195 -17.702
  417   1HG2  VAL  51          HG21      VAL  51   4.200 -11.134 -18.123
  418   2HG2  VAL  51          HG22      VAL  51   4.146 -12.215 -16.724
  419   3HG2  VAL  51          HG23      VAL  51   5.467 -11.045 -16.873
  420    H    ASN  52           H        ASN  52   6.216 -14.435 -20.652
  421    HA   ASN  52           HA       ASN  52   8.869 -15.300 -20.499
  422   1HB   ASN  52          HB2       ASN  52   7.846 -17.002 -21.432
  423   2HB   ASN  52          HB3       ASN  52   6.500 -16.028 -22.003
  424   1HD2  ASN  52          HD21      ASN  52   6.448 -15.370 -24.189
  425   2HD2  ASN  52          HD22      ASN  52   7.693 -15.779 -25.356
  426    H    GLU  53           H        GLU  53   7.429 -13.222 -23.044
  427    HA   GLU  53           HA       GLU  53   9.843 -13.062 -24.571
  428   1HB   GLU  53          HB2       GLU  53   7.418 -11.222 -24.442
  429   2HB   GLU  53          HB3       GLU  53   8.787 -10.922 -25.486
  430   1HG   GLU  53          HG2       GLU  53   6.814 -13.186 -25.630
  431   2HG   GLU  53          HG3       GLU  53   7.189 -11.921 -26.822
  432    H    PHE  54           H        PHE  54   8.440 -10.564 -22.282
  433    HA   PHE  54           HA       PHE  54  10.788  -8.996 -22.653
  434   1HB   PHE  54          HB2       PHE  54   9.937  -7.437 -21.174
  435   2HB   PHE  54          HB3       PHE  54   8.594  -8.075 -22.067
  436    HD1  PHE  54           HD1      PHE  54  10.408  -8.480 -18.768
  437    HD2  PHE  54           HD2      PHE  54   6.639  -8.519 -20.875
  438    HE1  PHE  54           HE1      PHE  54   9.200  -8.684 -16.622
  439    HE2  PHE  54           HE2      PHE  54   5.443  -8.734 -18.724
  440    HZ   PHE  54           HZ       PHE  54   6.713  -8.847 -16.592
  441    H    ARG  55           H        ARG  55  10.110 -11.602 -20.381
  442    HA   ARG  55           HA       ARG  55  12.355 -11.289 -18.669
  443   1HB   ARG  55          HB2       ARG  55  10.707 -12.896 -18.127
  444   2HB   ARG  55          HB3       ARG  55  10.783 -13.676 -19.686
  445   1HG   ARG  55          HG2       ARG  55  13.008 -13.830 -17.621
  446   2HG   ARG  55          HG3       ARG  55  11.676 -14.968 -17.745
  447   1HD   ARG  55          HD2       ARG  55  13.976 -14.611 -19.664
  448   2HD   ARG  55          HD3       ARG  55  13.477 -16.041 -18.796
  449    HE   ARG  55           HE       ARG  55  11.857 -14.804 -20.992
  450   1HH1  ARG  55          HH21      ARG  55  12.968 -17.898 -19.535
  451   2HH1  ARG  55          HH22      ARG  55  12.290 -18.811 -20.845
  452   1HH2  ARG  55          HH11      ARG  55  11.096 -16.044 -22.629
  453   2HH2  ARG  55          HH12      ARG  55  11.393 -17.750 -22.685
  454    H    ASP  56           H        ASP  56  12.146 -12.813 -21.962
  455    HA   ASP  56           HA       ASP  56  14.957 -13.579 -21.851
  456   1HB   ASP  56          HB2       ASP  56  13.457 -14.849 -23.222
  457   2HB   ASP  56          HB3       ASP  56  12.988 -13.417 -24.149
  458    H    LYS  57           H        LYS  57  13.093 -10.907 -23.319
  459    HA   LYS  57           HA       LYS  57  15.253  -9.714 -24.724
  460   1HB   LYS  57          HB2       LYS  57  12.716  -8.472 -23.578
  461   2HB   LYS  57          HB3       LYS  57  13.781  -7.674 -24.742
  462   1HG   LYS  57          HG2       LYS  57  13.365  -9.330 -26.427
  463   2HG   LYS  57          HG3       LYS  57  12.540 -10.389 -25.291
  464   1HD   LYS  57          HD2       LYS  57  10.730  -8.684 -25.025
  465   2HD   LYS  57          HD3       LYS  57  11.487  -7.712 -26.290
  466   1HE   LYS  57          HE2       LYS  57  10.509 -10.603 -26.628
  467   2HE   LYS  57          HE3       LYS  57   9.553  -9.196 -27.046
  468   1HZ   LYS  57          HZ1       LYS  57  10.671 -10.084 -28.975
  469   2HZ   LYS  57          HZ2       LYS  57  11.251  -8.591 -28.681
  470   3HZ   LYS  57          HZ3       LYS  57  12.142  -9.912 -28.303
  471    H    TYR  58           H        TYR  58  14.246  -9.398 -21.369
  472    HA   TYR  58           HA       TYR  58  16.467  -7.444 -20.929
  473   1HB   TYR  58          HB2       TYR  58  13.836  -7.455 -19.463
  474   2HB   TYR  58          HB3       TYR  58  15.081  -6.219 -19.429
  475    HD1  TYR  58           HD1      TYR  58  15.748  -5.399 -22.026
  476    HD2  TYR  58           HD2      TYR  58  11.941  -6.832 -20.636
  477    HE1  TYR  58           HE1      TYR  58  14.651  -4.336 -23.971
  478    HE2  TYR  58           HE2      TYR  58  10.821  -5.806 -22.602
  479    HH   TYR  58           HH       TYR  58  11.136  -4.689 -24.648
  480    H    GLN  59           H        GLN  59  15.954 -10.600 -20.103
  481    HA   GLN  59           HA       GLN  59  16.144 -10.798 -17.434
  482   1HB   GLN  59          HB2       GLN  59  17.625 -12.901 -17.848
  483   2HB   GLN  59          HB3       GLN  59  15.971 -12.835 -18.400
  484   1HG   GLN  59          HG2       GLN  59  17.509 -13.910 -20.011
  485   2HG   GLN  59          HG3       GLN  59  16.597 -12.588 -20.678
  486   1HE2  GLN  59          HE22      GLN  59  17.749 -11.224 -21.986
  487   2HE2  GLN  59          HE21      GLN  59  19.460 -10.882 -21.830
  488    H    ASP  60           H        ASP  60  18.898  -9.612 -19.308
  489    HA   ASP  60           HA       ASP  60  20.684  -9.822 -16.942
  490   1HB   ASP  60          HB2       ASP  60  21.459 -10.530 -19.197
  491   2HB   ASP  60          HB3       ASP  60  21.223  -8.884 -19.784
  492    H    GLN  61           H        GLN  61  18.353  -7.733 -17.813
  493    HA   GLN  61           HA       GLN  61  19.814  -5.196 -17.182
  494   1HB   GLN  61          HB2       GLN  61  17.495  -5.696 -19.090
  495   2HB   GLN  61          HB3       GLN  61  18.309  -4.156 -18.840
  496   1HG   GLN  61          HG2       GLN  61  20.253  -4.852 -20.007
  497   2HG   GLN  61          HG3       GLN  61  19.878  -6.559 -19.820
  498   1HE2  GLN  61          HE22      GLN  61  19.203  -7.583 -21.644
  499   2HE2  GLN  61          HE21      GLN  61  18.121  -6.894 -22.819
  500    H    LEU  62           H        LEU  62  17.075  -7.258 -16.621
  501    HA   LEU  62           HA       LEU  62  15.773  -5.286 -14.788
  502   1HB   LEU  62          HB2       LEU  62  14.612  -5.487 -16.983
  503   2HB   LEU  62          HB3       LEU  62  14.582  -7.241 -16.806
  504    HG   LEU  62           HG       LEU  62  13.129  -6.968 -14.755
  505   1HD1  LEU  62          HD11      LEU  62  11.967  -4.774 -14.481
  506   2HD1  LEU  62          HD12      LEU  62  13.690  -4.623 -14.170
  507   3HD1  LEU  62          HD13      LEU  62  13.023  -4.064 -15.714
  508   1HD2  LEU  62          HD21      LEU  62  12.195  -7.584 -16.901
  509   2HD2  LEU  62          HD22      LEU  62  11.087  -6.477 -16.074
  510   3HD2  LEU  62          HD23      LEU  62  12.135  -5.895 -17.405
  511    H    ASN  63           H        ASN  63  15.284  -6.108 -12.799
  512    HA   ASN  63           HA       ASN  63  15.811  -8.944 -12.165
  513   1HB   ASN  63          HB2       ASN  63  15.016  -6.571 -10.476
  514   2HB   ASN  63          HB3       ASN  63  15.156  -8.198  -9.861
  515   1HD2  ASN  63          HD22      ASN  63  16.562  -5.722  -9.172
  516   2HD2  ASN  63          HD21      ASN  63  18.258  -6.193  -9.194
  517    H    VAL  64           H        VAL  64  14.002  -9.463 -13.816
  518    HA   VAL  64           HA       VAL  64  11.274  -8.864 -12.935
  519    HB   VAL  64           HB       VAL  64  11.462  -9.027 -15.222
  520   1HG1  VAL  64          HG11      VAL  64  13.031 -11.611 -14.948
  521   2HG1  VAL  64          HG12      VAL  64  12.371 -10.990 -16.472
  522   3HG1  VAL  64          HG13      VAL  64  13.586 -10.049 -15.612
  523   1HG2  VAL  64          HG21      VAL  64   9.989 -10.805 -15.885
  524   2HG2  VAL  64          HG22      VAL  64  10.417 -11.759 -14.459
  525   3HG2  VAL  64          HG23      VAL  64   9.522 -10.239 -14.267
  526    H    VAL  65           H        VAL  65  10.062 -10.053 -11.564
  527    HA   VAL  65           HA       VAL  65  10.751 -12.842 -10.963
  528    HB   VAL  65           HB       VAL  65  10.611 -12.579  -8.593
  529   1HG1  VAL  65          HG11      VAL  65  12.474 -10.360  -9.511
  530   2HG1  VAL  65          HG12      VAL  65  12.543 -11.260  -7.991
  531   3HG1  VAL  65          HG13      VAL  65  12.852 -12.101  -9.519
  532   1HG2  VAL  65          HG21      VAL  65  10.384 -10.356  -7.465
  533   2HG2  VAL  65          HG22      VAL  65   9.959  -9.651  -9.039
  534   3HG2  VAL  65          HG23      VAL  65   8.926 -10.896  -8.288
  535    H    ALA  66           H        ALA  66   8.820 -13.913  -9.969
  536    HA   ALA  66           HA       ALA  66   6.259 -12.613 -10.854
  537   1HB   ALA  66          HB1       ALA  66   6.804 -15.553 -10.896
  538   2HB   ALA  66          HB2       ALA  66   5.587 -14.621 -11.784
  539   3HB   ALA  66          HB3       ALA  66   7.292 -14.535 -12.266
  540    H    VAL  67           H        VAL  67   4.378 -13.396  -9.754
  541    HA   VAL  67           HA       VAL  67   4.783 -14.923  -7.260
  542    HB   VAL  67           HB       VAL  67   2.909 -12.552  -7.503
  543   1HG1  VAL  67          HG11      VAL  67   2.900 -12.742  -5.023
  544   2HG1  VAL  67          HG12      VAL  67   2.351 -14.235  -5.786
  545   3HG1  VAL  67          HG13      VAL  67   3.995 -14.130  -5.119
  546   1HG2  VAL  67          HG21      VAL  67   4.566 -11.296  -6.084
  547   2HG2  VAL  67          HG22      VAL  67   5.748 -12.577  -6.382
  548   3HG2  VAL  67          HG23      VAL  67   5.116 -11.585  -7.725
  549    H    HIS  68           H        HIS  68   3.530 -16.718  -7.418
  550    HA   HIS  68           HA       HIS  68   1.204 -16.694  -9.298
  551   1HB   HIS  68          HB2       HIS  68   2.803 -18.457  -9.794
  552   2HB   HIS  68          HB3       HIS  68   2.815 -18.982  -8.107
  553    HD1  HIS  68           HD1      HIS  68   0.367 -20.035  -7.215
  554    HD2  HIS  68           HD2      HIS  68   0.779 -19.237 -11.322
  555    HE1  HIS  68           HE1      HIS  68  -1.664 -21.054  -8.355
  556    H    MET  69           H        MET  69  -0.718 -16.303  -8.221
  557    HA   MET  69           HA       MET  69  -0.934 -17.312  -5.434
  558   1HB   MET  69          HB2       MET  69  -2.397 -15.503  -4.903
  559   2HB   MET  69          HB3       MET  69  -0.732 -15.027  -5.212
  560   1HG   MET  69          HG2       MET  69  -1.218 -13.762  -7.016
  561   2HG   MET  69          HG3       MET  69  -2.548 -14.759  -7.562
  562   1HE   MET  69          HE1       MET  69  -4.608 -14.990  -5.272
  563   2HE   MET  69          HE2       MET  69  -5.624 -13.576  -5.620
  564   3HE   MET  69          HE3       MET  69  -4.974 -14.557  -6.954
  565    HA   PRO  70           HA       PRO  70  -4.288 -19.694  -7.376
  566   1HB   PRO  70          HB2       PRO  70  -4.693 -20.299  -4.449
  567   2HB   PRO  70          HB3       PRO  70  -4.738 -21.386  -5.865
  568   1HG   PRO  70          HG2       PRO  70  -2.551 -21.308  -4.222
  569   2HG   PRO  70          HG3       PRO  70  -2.320 -21.367  -5.999
  570   1HD   PRO  70          HD2       PRO  70  -2.256 -18.921  -4.198
  571   2HD   PRO  70          HD3       PRO  70  -1.127 -19.414  -5.499
  572    H    ARG  71           H        ARG  71  -6.511 -19.492  -7.429
  573    HA   ARG  71           HA       ARG  71  -7.899 -17.833  -5.343
  574   1HB   ARG  71          HB2       ARG  71  -8.512 -18.214  -8.293
  575   2HB   ARG  71          HB3       ARG  71  -9.541 -17.332  -7.171
  576   1HG   ARG  71          HG2       ARG  71  -8.413 -15.436  -7.513
  577   2HG   ARG  71          HG3       ARG  71  -6.936 -16.163  -6.903
  578   1HD   ARG  71          HD2       ARG  71  -6.552 -15.296  -9.141
  579   2HD   ARG  71          HD3       ARG  71  -6.418 -17.040  -9.156
  580    HE   ARG  71           HE       ARG  71  -8.805 -15.456 -10.074
  581   1HH1  ARG  71          HH11      ARG  71  -6.807 -18.426 -10.359
  582   2HH1  ARG  71          HH12      ARG  71  -7.601 -18.906 -11.834
  583   1HH2  ARG  71          HH21      ARG  71  -9.979 -16.342 -11.885
  584   2HH2  ARG  71          HH22      ARG  71  -9.412 -17.807 -12.624
  585    H    SER  72           H        SER  72  -7.615 -20.997  -6.692
  586    HA   SER  72           HA       SER  72 -10.177 -21.901  -5.552
  587   1HB   SER  72          HB2       SER  72  -9.369 -22.361  -8.457
  588   2HB   SER  72          HB3       SER  72 -10.865 -22.890  -7.672
  589    HG   SER  72           HG       SER  72 -11.177 -21.021  -8.943
  590    H    GLU  73           H        GLU  73 -10.261 -24.305  -5.547
  591    HA   GLU  73           HA       GLU  73  -7.811 -25.507  -4.781
  592   1HB   GLU  73          HB2       GLU  73  -9.088 -27.556  -4.584
  593   2HB   GLU  73          HB3       GLU  73  -9.986 -26.194  -3.916
  594   1HG   GLU  73          HG2       GLU  73 -11.348 -26.083  -6.015
  595   2HG   GLU  73          HG3       GLU  73 -10.466 -27.475  -6.648
  596    H    ASP  74           H        ASP  74  -9.246 -25.131  -7.945
  597    HA   ASP  74           HA       ASP  74  -7.363 -27.074  -9.136
  598   1HB   ASP  74          HB2       ASP  74  -8.730 -27.187 -10.998
  599   2HB   ASP  74          HB3       ASP  74  -9.881 -27.108  -9.671
  600    H    ASP  75           H        ASP  75  -6.924 -24.223  -8.050
  601    HA   ASP  75           HA       ASP  75  -5.351 -23.185 -10.372
  602   1HB   ASP  75          HB2       ASP  75  -7.450 -21.861  -9.786
  603   2HB   ASP  75          HB3       ASP  75  -6.686 -21.505  -8.232
  604    H    LEU  76           H        LEU  76  -4.932 -24.897  -7.724
  605    HA   LEU  76           HA       LEU  76  -2.462 -23.485  -6.860
  606   1HB   LEU  76          HB2       LEU  76  -2.822 -24.292  -4.585
  607   2HB   LEU  76          HB3       LEU  76  -4.092 -23.238  -5.137
  608    HG   LEU  76           HG       LEU  76  -5.582 -25.189  -5.515
  609   1HD1  LEU  76          HD11      LEU  76  -5.054 -27.274  -4.190
  610   2HD1  LEU  76          HD12      LEU  76  -4.098 -27.102  -5.650
  611   3HD1  LEU  76          HD13      LEU  76  -3.370 -26.717  -4.071
  612   1HD2  LEU  76          HD21      LEU  76  -5.718 -23.751  -3.539
  613   2HD2  LEU  76          HD22      LEU  76  -6.073 -25.424  -3.088
  614   3HD2  LEU  76          HD23      LEU  76  -4.485 -24.722  -2.708
  615    H    ASP  77           H        ASP  77  -3.451 -26.109  -8.552
  616    HA   ASP  77           HA       ASP  77  -2.299 -28.338  -7.387
  617   1HB   ASP  77          HB2       ASP  77  -3.846 -28.414  -9.254
  618   2HB   ASP  77          HB3       ASP  77  -2.623 -27.739 -10.330
  619    HA   PRO  78           HA       PRO  78   1.986 -26.876  -7.435
  620   1HB   PRO  78          HB2       PRO  78   2.456 -29.809  -6.886
  621   2HB   PRO  78          HB3       PRO  78   3.196 -28.383  -6.098
  622   1HG   PRO  78          HG2       PRO  78   1.175 -29.732  -4.892
  623   2HG   PRO  78          HG3       PRO  78   1.197 -27.935  -4.870
  624   1HD   PRO  78          HD2       PRO  78  -0.430 -29.775  -6.632
  625   2HD   PRO  78          HD3       PRO  78  -0.910 -28.246  -5.844
  626    H    GLY  79           H        GLY  79   0.877 -29.736  -9.247
  627   1HA   GLY  79          HA2       GLY  79   3.281 -30.027 -10.862
  628   2HA   GLY  79          HA3       GLY  79   1.710 -30.838 -11.067
  629    H    LYS  80           H        LYS  80  -0.085 -28.643 -11.250
  630    HA   LYS  80           HA       LYS  80   0.504 -27.879 -13.965
  631   1HB   LYS  80          HB2       LYS  80  -1.783 -28.323 -13.194
  632   2HB   LYS  80          HB3       LYS  80  -1.735 -26.838 -12.207
  633   1HG   LYS  80          HG2       LYS  80  -1.422 -25.463 -14.131
  634   2HG   LYS  80          HG3       LYS  80  -1.028 -26.839 -15.168
  635   1HD   LYS  80          HD2       LYS  80  -3.359 -27.573 -15.146
  636   2HD   LYS  80          HD3       LYS  80  -3.796 -26.241 -14.035
  637   1HE   LYS  80          HE2       LYS  80  -2.797 -24.615 -15.662
  638   2HE   LYS  80          HE3       LYS  80  -2.431 -25.955 -16.744
  639   1HZ   LYS  80          HZ1       LYS  80  -4.855 -26.349 -16.921
  640   2HZ   LYS  80          HZ2       LYS  80  -5.161 -25.072 -15.940
  641   3HZ   LYS  80          HZ3       LYS  80  -4.481 -24.838 -17.401
  642    H    ILE  81           H        ILE  81   1.004 -26.131 -10.852
  643    HA   ILE  81           HA       ILE  81   1.503 -23.580 -12.073
  644    HB   ILE  81           HB       ILE  81   2.646 -24.859  -9.573
  645   1HG1  ILE  81          HG12      ILE  81   0.578 -22.644  -9.665
  646   2HG1  ILE  81          HG13      ILE  81   0.044 -24.295  -9.905
  647   1HG2  ILE  81          HG21      ILE  81   2.741 -21.933 -10.467
  648   2HG2  ILE  81          HG22      ILE  81   3.217 -22.522  -8.863
  649   3HG2  ILE  81          HG23      ILE  81   4.134 -23.017 -10.284
  650   1HD1  ILE  81          HD11      ILE  81   1.047 -25.009  -7.832
  651   2HD1  ILE  81          HD12      ILE  81   1.603 -23.358  -7.481
  652   3HD1  ILE  81          HD13      ILE  81  -0.138 -23.708  -7.557
  653    H    LYS  82           H        LYS  82   3.757 -26.187 -11.147
  654    HA   LYS  82           HA       LYS  82   6.062 -25.185 -12.432
  655   1HB   LYS  82          HB2       LYS  82   6.304 -26.989 -10.906
  656   2HB   LYS  82          HB3       LYS  82   5.048 -27.941 -11.692
  657   1HG   LYS  82          HG2       LYS  82   7.121 -28.981 -12.176
  658   2HG   LYS  82          HG3       LYS  82   6.474 -28.279 -13.656
  659   1HD   LYS  82          HD2       LYS  82   8.078 -26.348 -13.402
  660   2HD   LYS  82          HD3       LYS  82   8.711 -27.122 -11.944
  661   1HE   LYS  82          HE2       LYS  82  10.181 -27.671 -13.772
  662   2HE   LYS  82          HE3       LYS  82   9.324 -29.137 -13.287
  663   1HZ   LYS  82          HZ1       LYS  82   8.619 -27.452 -15.619
  664   2HZ   LYS  82          HZ2       LYS  82   9.413 -28.875 -15.691
  665   3HZ   LYS  82          HZ3       LYS  82   7.851 -28.849 -15.218
  666    H    GLU  83           H        GLU  83   3.505 -27.359 -13.832
  667    HA   GLU  83           HA       GLU  83   5.074 -27.536 -16.248
  668   1HB   GLU  83          HB2       GLU  83   2.301 -28.533 -15.545
  669   2HB   GLU  83          HB3       GLU  83   3.064 -28.802 -17.118
  670   1HG   GLU  83          HG2       GLU  83   4.253 -29.705 -14.455
  671   2HG   GLU  83          HG3       GLU  83   3.352 -30.727 -15.564
  672    H    THR  84           H        THR  84   2.214 -25.508 -15.390
  673    HA   THR  84           HA       THR  84   1.957 -24.445 -18.038
  674    HB   THR  84           HB       THR  84   1.423 -23.062 -15.377
  675    HG1  THR  84           HG1      THR  84   0.301 -24.892 -15.326
  676   1HG2  THR  84          HG21      THR  84   0.158 -22.651 -18.120
  677   2HG2  THR  84          HG22      THR  84  -0.355 -21.858 -16.614
  678   3HG2  THR  84          HG23      THR  84   1.251 -21.522 -17.282
  679    H    ALA  85           H        ALA  85   4.084 -23.627 -15.282
  680    HA   ALA  85           HA       ALA  85   5.301 -21.356 -16.487
  681   1HB   ALA  85          HB1       ALA  85   6.538 -23.377 -14.560
  682   2HB   ALA  85          HB2       ALA  85   7.208 -21.798 -14.988
  683   3HB   ALA  85          HB3       ALA  85   5.666 -21.889 -14.112
  684    H    ALA  86           H        ALA  86   5.854 -24.854 -16.984
  685    HA   ALA  86           HA       ALA  86   8.268 -24.439 -18.567
  686   1HB   ALA  86          HB1       ALA  86   7.826 -26.572 -17.368
  687   2HB   ALA  86          HB2       ALA  86   6.410 -26.863 -18.406
  688   3HB   ALA  86          HB3       ALA  86   8.033 -26.813 -19.114
  689    H    GLU  87           H        GLU  87   4.752 -24.908 -19.159
  690    HA   GLU  87           HA       GLU  87   5.064 -25.186 -21.984
  691   1HB   GLU  87          HB2       GLU  87   2.675 -24.619 -20.194
  692   2HB   GLU  87          HB3       GLU  87   2.522 -24.657 -21.952
  693   1HG   GLU  87          HG2       GLU  87   3.460 -26.947 -22.013
  694   2HG   GLU  87          HG3       GLU  87   3.562 -26.967 -20.259
  695    H    HIS  88           H        HIS  88   4.704 -22.351 -19.928
  696    HA   HIS  88           HA       HIS  88   4.508 -20.607 -22.328
  697   1HB   HIS  88          HB2       HIS  88   3.802 -20.202 -19.416
  698   2HB   HIS  88          HB3       HIS  88   3.875 -18.875 -20.577
  699    HD1  HIS  88           HD1      HIS  88   1.874 -18.697 -22.342
  700    HD2  HIS  88           HD2      HIS  88   1.831 -22.097 -19.864
  701    HE1  HIS  88           HE1      HIS  88  -0.395 -19.801 -22.679
  702    H    ASP  89           H        ASP  89   7.007 -21.918 -20.653
  703    HA   ASP  89           HA       ASP  89   9.190 -21.434 -20.539
  704   1HB   ASP  89          HB2       ASP  89   8.920 -21.047 -22.943
  705   2HB   ASP  89          HB3       ASP  89   8.626 -19.331 -22.654
  706    H    ILE  90           H        ILE  90   7.994 -20.626 -18.443
  707    HA   ILE  90           HA       ILE  90   8.668 -17.805 -17.806
  708    HB   ILE  90           HB       ILE  90   6.927 -19.806 -16.303
  709   1HG1  ILE  90          HG12      ILE  90   6.100 -17.695 -18.341
  710   2HG1  ILE  90          HG13      ILE  90   5.852 -19.440 -18.437
  711   1HG2  ILE  90          HG21      ILE  90   6.161 -17.905 -15.043
  712   2HG2  ILE  90          HG22      ILE  90   7.926 -17.879 -15.019
  713   3HG2  ILE  90          HG23      ILE  90   7.031 -16.796 -16.123
  714   1HD1  ILE  90          HD11      ILE  90   3.757 -18.460 -17.872
  715   2HD1  ILE  90          HD12      ILE  90   4.340 -19.294 -16.425
  716   3HD1  ILE  90          HD13      ILE  90   4.448 -17.520 -16.550
  717    H    THR  91           H        THR  91  10.851 -17.874 -17.265
  718    HA   THR  91           HA       THR  91  11.773 -20.063 -15.455
  719    HB   THR  91           HB       THR  91  13.936 -19.826 -16.579
  720    HG1  THR  91           HG1      THR  91  14.049 -17.834 -17.344
  721   1HG2  THR  91          HG21      THR  91  12.257 -21.431 -17.487
  722   2HG2  THR  91          HG22      THR  91  11.680 -20.173 -18.603
  723   3HG2  THR  91          HG23      THR  91  13.342 -20.782 -18.729
  724    H    GLN  92           H        GLN  92  11.184 -16.717 -15.379
  725    HA   GLN  92           HA       GLN  92  13.398 -15.846 -13.787
  726   1HB   GLN  92          HB2       GLN  92  12.060 -13.978 -13.209
  727   2HB   GLN  92          HB3       GLN  92  11.807 -14.282 -14.911
  728   1HG   GLN  92          HG2       GLN  92   9.835 -15.219 -12.759
  729   2HG   GLN  92          HG3       GLN  92   9.805 -13.611 -13.418
  730   1HE2  GLN  92          HE22      GLN  92   7.519 -14.175 -14.081
  731   2HE2  GLN  92          HE21      GLN  92   7.347 -15.062 -15.550
  732    HA   PRO  93           HA       PRO  93  12.430 -17.691  -9.777
  733   1HB   PRO  93          HB2       PRO  93  12.594 -14.885  -8.694
  734   2HB   PRO  93          HB3       PRO  93  13.355 -16.385  -8.069
  735   1HG   PRO  93          HG2       PRO  93  14.825 -14.569  -9.453
  736   2HG   PRO  93          HG3       PRO  93  15.032 -16.326  -9.764
  737   1HD   PRO  93          HD2       PRO  93  13.428 -14.312 -11.354
  738   2HD   PRO  93          HD3       PRO  93  14.532 -15.596 -11.939
  739    H    ILE  94           H        ILE  94  10.513 -18.094  -8.701
  740    HA   ILE  94           HA       ILE  94   8.227 -16.240  -9.088
  741    HB   ILE  94           HB       ILE  94   8.372 -19.231  -9.626
  742   1HG1  ILE  94          HG12      ILE  94   8.506 -16.891 -11.367
  743   2HG1  ILE  94          HG13      ILE  94   8.848 -18.560 -11.704
  744   1HG2  ILE  94          HG21      ILE  94   5.897 -17.457  -9.446
  745   2HG2  ILE  94          HG22      ILE  94   5.923 -19.147 -10.025
  746   3HG2  ILE  94          HG23      ILE  94   6.341 -18.781  -8.365
  747   1HD1  ILE  94          HD11      ILE  94   6.004 -17.514 -11.762
  748   2HD1  ILE  94          HD12      ILE  94   7.115 -17.346 -13.084
  749   3HD1  ILE  94          HD13      ILE  94   6.686 -18.987 -12.514
  750    H    PHE  95           H        PHE  95   7.530 -15.665  -7.155
  751    HA   PHE  95           HA       PHE  95   7.890 -17.318  -4.732
  752   1HB   PHE  95          HB2       PHE  95   6.314 -14.771  -5.355
  753   2HB   PHE  95          HB3       PHE  95   6.431 -15.508  -3.766
  754    HD1  PHE  95           HD1      PHE  95   8.638 -15.545  -2.544
  755    HD2  PHE  95           HD2      PHE  95   8.097 -13.291  -6.200
  756    HE1  PHE  95           HE1      PHE  95  10.660 -14.184  -2.028
  757    HE2  PHE  95           HE2      PHE  95  10.108 -11.967  -5.669
  758    HZ   PHE  95           HZ       PHE  95  11.386 -12.405  -3.591
  759    H    VAL  96           H        VAL  96   6.194 -18.844  -4.105
  760    HA   VAL  96           HA       VAL  96   3.683 -18.690  -5.715
  761    HB   VAL  96           HB       VAL  96   4.870 -21.239  -4.587
  762   1HG1  VAL  96          HG11      VAL  96   2.610 -20.663  -6.564
  763   2HG1  VAL  96          HG12      VAL  96   3.176 -22.269  -6.110
  764   3HG1  VAL  96          HG13      VAL  96   2.401 -21.230  -4.903
  765   1HG2  VAL  96          HG21      VAL  96   6.350 -20.448  -6.414
  766   2HG2  VAL  96          HG22      VAL  96   5.431 -21.878  -6.891
  767   3HG2  VAL  96          HG23      VAL  96   4.928 -20.282  -7.477
  768    H    ASP  97           H        ASP  97   1.933 -18.402  -4.584
  769    HA   ASP  97           HA       ASP  97   2.212 -18.020  -1.652
  770   1HB   ASP  97          HB2       ASP  97   1.587 -16.133  -3.344
  771   2HB   ASP  97          HB3       ASP  97   0.008 -16.918  -3.415
  772    H    SER  98           H        SER  98   0.384 -18.830  -0.300
  773    HA   SER  98           HA       SER  98  -0.778 -21.302  -1.360
  774   1HB   SER  98          HB2       SER  98  -1.230 -19.890   1.296
  775   2HB   SER  98          HB3       SER  98  -1.781 -21.520   0.848
  776    HG   SER  98           HG       SER  98   0.161 -21.639   1.995
  777    H    ASP  99           H        ASP  99  -1.763 -17.887  -0.904
  778    HA   ASP  99           HA       ASP  99  -4.099 -18.331  -2.533
  779   1HB   ASP  99          HB2       ASP  99  -4.962 -19.253  -0.359
  780   2HB   ASP  99          HB3       ASP  99  -4.660 -17.692   0.391
  781    H    HIS 100           H        HIS 100  -2.563 -16.092  -0.092
  782    HA   HIS 100           HA       HIS 100  -2.959 -13.856  -1.874
  783   1HB   HIS 100          HB2       HIS 100  -4.548 -12.603  -0.479
  784   2HB   HIS 100          HB3       HIS 100  -5.259 -14.092  -1.048
  785    HD1  HIS 100           HD1      HIS 100  -6.199 -15.702   0.788
  786    HD2  HIS 100           HD2      HIS 100  -3.716 -12.628   2.243
  787    HE1  HIS 100           HE1      HIS 100  -6.351 -15.794   3.341
  788    H    ALA 101           H        ALA 101  -0.863 -15.121   0.313
  789    HA   ALA 101           HA       ALA 101  -0.816 -13.303   2.484
  790   1HB   ALA 101          HB1       ALA 101   1.533 -14.868   1.290
  791   2HB   ALA 101          HB2       ALA 101   1.446 -14.165   2.914
  792   3HB   ALA 101          HB3       ALA 101   0.361 -15.498   2.469
  793    H    LEU 102           H        LEU 102   1.375 -13.201  -0.427
  794    HA   LEU 102           HA       LEU 102   2.437 -10.627   0.374
  795   1HB   LEU 102          HB2       LEU 102   3.421 -12.394  -1.229
  796   2HB   LEU 102          HB3       LEU 102   2.395 -11.685  -2.455
  797    HG   LEU 102           HG       LEU 102   4.785 -10.437  -0.987
  798   1HD1  LEU 102          HD11      LEU 102   4.179 -10.905  -3.928
  799   2HD1  LEU 102          HD12      LEU 102   5.696 -10.299  -3.250
  800   3HD1  LEU 102          HD13      LEU 102   5.183 -11.957  -2.907
  801   1HD2  LEU 102          HD21      LEU 102   3.412  -8.514  -1.110
  802   2HD2  LEU 102          HD22      LEU 102   4.490  -8.432  -2.500
  803   3HD2  LEU 102          HD23      LEU 102   2.817  -8.917  -2.728
  804    H    THR 103           H        THR 103  -0.466 -11.656  -1.429
  805    HA   THR 103           HA       THR 103  -1.026  -9.217  -2.789
  806    HB   THR 103           HB       THR 103  -3.192 -11.048  -1.760
  807    HG1  THR 103           HG1      THR 103  -2.603 -12.459  -3.580
  808   1HG2  THR 103          HG21      THR 103  -3.568  -9.141  -3.325
  809   2HG2  THR 103          HG22      THR 103  -2.584 -10.012  -4.541
  810   3HG2  THR 103          HG23      THR 103  -4.104 -10.725  -3.948
  811    H    ASP 104           H        ASP 104  -1.623 -10.378   0.522
  812    HA   ASP 104           HA       ASP 104  -3.373  -8.116   1.206
  813   1HB   ASP 104          HB2       ASP 104  -3.767 -10.329   2.156
  814   2HB   ASP 104          HB3       ASP 104  -2.110 -10.427   2.753
  815    H    ALA 105           H        ALA 105   0.005  -8.814   1.101
  816    HA   ALA 105           HA       ALA 105   0.762  -7.151   3.391
  817   1HB   ALA 105          HB1       ALA 105   2.073  -9.190   2.743
  818   2HB   ALA 105          HB2       ALA 105   2.521  -8.383   1.219
  819   3HB   ALA 105          HB3       ALA 105   3.058  -7.714   2.768
  820    H    PHE 106           H        PHE 106   0.373  -6.791  -0.071
  821    HA   PHE 106           HA       PHE 106   0.987  -3.894   0.210
  822   1HB   PHE 106          HB2       PHE 106   2.332  -3.786  -1.538
  823   2HB   PHE 106          HB3       PHE 106   2.857  -5.215  -0.728
  824    HD1  PHE 106           HD1      PHE 106   0.360  -6.861  -2.265
  825    HD2  PHE 106           HD2      PHE 106   3.796  -4.489  -3.344
  826    HE1  PHE 106           HE1      PHE 106   0.462  -7.961  -4.476
  827    HE2  PHE 106           HE2      PHE 106   3.841  -5.518  -5.558
  828    HZ   PHE 106           HZ       PHE 106   2.135  -7.231  -6.165
  829    H    GLU 107           H        GLU 107  -1.449  -5.630   0.176
  830    HA   GLU 107           HA       GLU 107  -3.547  -5.730  -0.654
  831   1HB   GLU 107          HB2       GLU 107  -2.986  -2.788  -0.258
  832   2HB   GLU 107          HB3       GLU 107  -4.616  -3.497  -0.389
  833   1HG   GLU 107          HG2       GLU 107  -4.119  -4.946   1.573
  834   2HG   GLU 107          HG3       GLU 107  -2.547  -4.161   1.747
  835    H    ASN 108           H        ASN 108  -2.171  -6.338  -2.862
  836    HA   ASN 108           HA       ASN 108  -2.499  -4.669  -5.074
  837   1HB   ASN 108          HB2       ASN 108  -1.047  -6.487  -5.188
  838   2HB   ASN 108          HB3       ASN 108  -2.258  -7.659  -4.661
  839   1HD2  ASN 108          HD22      ASN 108  -1.344  -8.919  -6.530
  840   2HD2  ASN 108          HD21      ASN 108  -2.099  -8.622  -8.072
  841    H    GLU 109           H        GLU 109  -4.714  -7.261  -3.957
  842    HA   GLU 109           HA       GLU 109  -6.854  -7.715  -4.307
  843   1HB   GLU 109          HB2       GLU 109  -7.201  -4.723  -4.695
  844   2HB   GLU 109          HB3       GLU 109  -8.480  -5.892  -4.379
  845   1HG   GLU 109          HG2       GLU 109  -7.338  -6.513  -2.227
  846   2HG   GLU 109          HG3       GLU 109  -6.195  -5.196  -2.488
  847    H    TYR 110           H        TYR 110  -5.040  -6.944  -6.942
  848    HA   TYR 110           HA       TYR 110  -7.172  -7.924  -8.796
  849   1HB   TYR 110          HB2       TYR 110  -4.675  -6.318  -9.470
  850   2HB   TYR 110          HB3       TYR 110  -5.830  -6.958 -10.624
  851    HD1  TYR 110           HD1      TYR 110  -5.050  -4.237  -8.359
  852    HD2  TYR 110           HD2      TYR 110  -8.194  -6.032 -10.699
  853    HE1  TYR 110           HE1      TYR 110  -6.342  -2.121  -8.232
  854    HE2  TYR 110           HE2      TYR 110  -9.496  -3.931 -10.581
  855    HH   TYR 110           HH       TYR 110  -9.571  -1.743  -9.780
  856    H    VAL 111           H        VAL 111  -5.720  -9.195 -10.699
  857    HA   VAL 111           HA       VAL 111  -3.593 -10.672  -9.263
  858    HB   VAL 111           HB       VAL 111  -5.616 -12.170 -10.924
  859   1HG1  VAL 111          HG11      VAL 111  -3.309 -13.061 -10.987
  860   2HG1  VAL 111          HG12      VAL 111  -3.181 -12.934  -9.237
  861   3HG1  VAL 111          HG13      VAL 111  -4.330 -14.087  -9.960
  862   1HG2  VAL 111          HG21      VAL 111  -6.696 -11.484  -8.846
  863   2HG2  VAL 111          HG22      VAL 111  -6.253 -13.186  -8.730
  864   3HG2  VAL 111          HG23      VAL 111  -5.265 -11.961  -7.908
  865    HA   PRO 112           HA       PRO 112  -2.038 -10.639 -13.675
  866   1HB   PRO 112          HB2       PRO 112  -3.426  -9.484 -15.746
  867   2HB   PRO 112          HB3       PRO 112  -3.549 -11.213 -15.295
  868   1HG   PRO 112          HG2       PRO 112  -5.403  -8.944 -14.478
  869   2HG   PRO 112          HG3       PRO 112  -5.852 -10.543 -15.149
  870   1HD   PRO 112          HD2       PRO 112  -5.912 -10.077 -12.482
  871   2HD   PRO 112          HD3       PRO 112  -5.355 -11.646 -13.146
  872    H    ALA 113           H        ALA 113  -1.055  -9.263 -12.130
  873    HA   ALA 113           HA       ALA 113  -1.456  -6.313 -12.537
  874   1HB   ALA 113          HB1       ALA 113  -1.318  -7.788  -9.877
  875   2HB   ALA 113          HB2       ALA 113  -1.491  -6.035 -10.105
  876   3HB   ALA 113          HB3       ALA 113  -2.799  -7.128 -10.601
  877    H    TYR 114           H        TYR 114   0.327  -5.002 -12.030
  878    HA   TYR 114           HA       TYR 114   2.930  -6.445 -11.894
  879   1HB   TYR 114          HB2       TYR 114   2.423  -4.289 -13.922
  880   2HB   TYR 114          HB3       TYR 114   3.557  -5.637 -13.975
  881    HD1  TYR 114           HD1      TYR 114   0.454  -4.364 -15.215
  882    HD2  TYR 114           HD2      TYR 114   2.375  -8.043 -14.110
  883    HE1  TYR 114           HE1      TYR 114  -1.261  -5.629 -16.469
  884    HE2  TYR 114           HE2      TYR 114   0.668  -9.333 -15.348
  885    HH   TYR 114           HH       TYR 114  -2.079  -7.756 -17.004
  886    H    TYR 115           H        TYR 115   4.520  -5.306 -10.887
  887    HA   TYR 115           HA       TYR 115   4.002  -2.511  -9.987
  888   1HB   TYR 115          HB2       TYR 115   4.857  -4.921  -8.320
  889   2HB   TYR 115          HB3       TYR 115   4.874  -3.250  -7.772
  890    HD1  TYR 115           HD1      TYR 115   2.602  -6.014  -8.900
  891    HD2  TYR 115           HD2      TYR 115   2.952  -2.257  -6.800
  892    HE1  TYR 115           HE1      TYR 115   0.220  -6.177  -8.214
  893    HE2  TYR 115           HE2      TYR 115   0.565  -2.449  -6.094
  894    HH   TYR 115           HH       TYR 115  -1.611  -4.955  -7.366
  895    H    VAL 116           H        VAL 116   5.738  -1.288 -10.492
  896    HA   VAL 116           HA       VAL 116   8.223  -2.679 -11.374
  897    HB   VAL 116           HB       VAL 116   7.375   0.039 -12.381
  898   1HG1  VAL 116          HG11      VAL 116   8.796  -2.309 -13.716
  899   2HG1  VAL 116          HG12      VAL 116   8.601  -0.666 -14.368
  900   3HG1  VAL 116          HG13      VAL 116   9.601  -0.937 -12.933
  901   1HG2  VAL 116          HG21      VAL 116   6.202  -0.973 -14.336
  902   2HG2  VAL 116          HG22      VAL 116   6.184  -2.534 -13.497
  903   3HG2  VAL 116          HG23      VAL 116   5.307  -1.147 -12.831
  904    H    PHE 117           H        PHE 117  10.086  -2.040 -10.336
  905    HA   PHE 117           HA       PHE 117   9.933   0.256  -8.443
  906   1HB   PHE 117          HB2       PHE 117  11.172  -2.479  -8.006
  907   2HB   PHE 117          HB3       PHE 117  11.328  -1.121  -6.916
  908    HD1  PHE 117           HD1      PHE 117   9.832  -0.966  -5.041
  909    HD2  PHE 117           HD2      PHE 117   8.738  -3.381  -8.455
  910    HE1  PHE 117           HE1      PHE 117   7.894  -1.836  -3.813
  911    HE2  PHE 117           HE2      PHE 117   6.870  -4.330  -7.166
  912    HZ   PHE 117           HZ       PHE 117   6.414  -3.551  -4.846
  913    H    ASP 118           H        ASP 118  11.795   1.346  -8.132
  914    HA   ASP 118           HA       ASP 118  13.564   1.743 -10.302
  915   1HB   ASP 118          HB2       ASP 118  12.762   3.207  -8.201
  916   2HB   ASP 118          HB3       ASP 118  14.225   2.574  -7.476
  917    H    LYS 119           H        LYS 119  16.037   1.800  -9.964
  918    HA   LYS 119           HA       LYS 119  17.074  -0.851  -9.377
  919   1HB   LYS 119          HB2       LYS 119  19.274   0.227  -9.701
  920   2HB   LYS 119          HB3       LYS 119  18.176   0.412 -11.068
  921   1HG   LYS 119          HG2       LYS 119  18.002   2.679 -10.833
  922   2HG   LYS 119          HG3       LYS 119  18.202   2.669  -9.083
  923   1HD   LYS 119          HD2       LYS 119  20.542   1.999 -10.921
  924   2HD   LYS 119          HD3       LYS 119  20.084   3.670 -10.530
  925   1HE   LYS 119          HE2       LYS 119  20.251   3.192  -8.109
  926   2HE   LYS 119          HE3       LYS 119  20.731   1.529  -8.443
  927   1HZ   LYS 119          HZ1       LYS 119  22.736   2.394  -9.504
  928   2HZ   LYS 119          HZ2       LYS 119  22.249   3.947  -9.280
  929   3HZ   LYS 119          HZ3       LYS 119  22.619   2.992  -7.996
  930    H    THR 120           H        THR 120  16.312   1.752  -7.312
  931    HA   THR 120           HA       THR 120  18.114   0.744  -5.204
  932    HB   THR 120           HB       THR 120  18.271   3.084  -5.850
  933    HG1  THR 120           HG1      THR 120  18.471   3.801  -3.813
  934   1HG2  THR 120          HG21      THR 120  15.463   3.238  -4.730
  935   2HG2  THR 120          HG22      THR 120  16.508   4.650  -5.020
  936   3HG2  THR 120          HG23      THR 120  16.002   3.634  -6.375
  937    H    GLY 121           H        GLY 121  15.151  -0.131  -6.341
  938   1HA   GLY 121          HA2       GLY 121  13.711  -1.607  -5.416
  939   2HA   GLY 121          HA3       GLY 121  14.613  -1.522  -3.897
  940    H    GLN 122           H        GLN 122  12.877   1.083  -5.671
  941    HA   GLN 122           HA       GLN 122  10.853   1.210  -3.500
  942   1HB   GLN 122          HB2       GLN 122  12.190   3.591  -4.878
  943   2HB   GLN 122          HB3       GLN 122  10.911   3.678  -3.674
  944   1HG   GLN 122          HG2       GLN 122  13.778   2.755  -3.249
  945   2HG   GLN 122          HG3       GLN 122  13.050   4.256  -2.682
  946   1HE2  GLN 122          HE22      GLN 122  10.604   3.381  -1.522
  947   2HE2  GLN 122          HE21      GLN 122  11.014   2.322  -0.194
  948    H    LEU 123           H        LEU 123   8.787   1.575  -4.293
  949    HA   LEU 123           HA       LEU 123   8.283   0.670  -6.884
  950   1HB   LEU 123          HB2       LEU 123   6.778   0.502  -4.852
  951   2HB   LEU 123          HB3       LEU 123   6.409   2.215  -5.046
  952    HG   LEU 123           HG       LEU 123   5.533   1.698  -7.343
  953   1HD1  LEU 123          HD11      LEU 123   6.725  -0.599  -7.583
  954   2HD1  LEU 123          HD12      LEU 123   5.580  -1.209  -6.392
  955   3HD1  LEU 123          HD13      LEU 123   5.001  -0.613  -7.960
  956   1HD2  LEU 123          HD21      LEU 123   4.256   0.629  -4.856
  957   2HD2  LEU 123          HD22      LEU 123   3.823   2.010  -5.849
  958   3HD2  LEU 123          HD23      LEU 123   3.447   0.393  -6.425
  959    H    ARG 124           H        ARG 124   7.840   1.640  -8.811
  960    HA   ARG 124           HA       ARG 124   7.973   4.637  -8.999
  961   1HB   ARG 124          HB2       ARG 124   8.884   2.473 -10.957
  962   2HB   ARG 124          HB3       ARG 124   8.874   4.198 -11.302
  963   1HG   ARG 124          HG2       ARG 124  10.587   2.803  -9.220
  964   2HG   ARG 124          HG3       ARG 124  11.106   3.355 -10.809
  965   1HD   ARG 124          HD2       ARG 124  11.882   5.057  -9.472
  966   2HD   ARG 124          HD3       ARG 124  10.349   5.726 -10.006
  967    HE   ARG 124           HE       ARG 124   9.437   4.733  -7.802
  968   1HH1  ARG 124          HH21      ARG 124  12.873   5.757  -7.911
  969   2HH1  ARG 124          HH22      ARG 124  12.811   6.411  -6.312
  970   1HH2  ARG 124          HH11      ARG 124   9.425   5.416  -5.761
  971   2HH2  ARG 124          HH12      ARG 124  10.806   6.179  -5.018
  972    H    HIS 125           H        HIS 125   6.335   1.635 -10.241
  973    HA   HIS 125           HA       HIS 125   4.050   3.305 -10.989
  974   1HB   HIS 125          HB2       HIS 125   5.784   3.325 -12.904
  975   2HB   HIS 125          HB3       HIS 125   5.482   1.599 -13.068
  976    HD1  HIS 125           HD1      HIS 125   3.739   5.006 -13.597
  977    HD2  HIS 125           HD2      HIS 125   3.204   0.883 -14.195
  978    HE1  HIS 125           HE1      HIS 125   1.710   4.773 -15.118
  979    H    PHE 126           H        PHE 126   2.171   1.906 -11.499
  980    HA   PHE 126           HA       PHE 126   2.407  -0.974 -11.058
  981   1HB   PHE 126          HB2       PHE 126   1.926  -0.696  -8.834
  982   2HB   PHE 126          HB3       PHE 126   1.284   0.922  -9.046
  983    HD1  PHE 126           HD1      PHE 126   0.373  -2.686  -9.655
  984    HD2  PHE 126           HD2      PHE 126  -1.037   1.338  -8.991
  985    HE1  PHE 126           HE1      PHE 126  -1.962  -3.504  -9.633
  986    HE2  PHE 126           HE2      PHE 126  -3.371   0.505  -8.938
  987    HZ   PHE 126           HZ       PHE 126  -3.843  -1.916  -9.275
  988    H    GLN 127           H        GLN 127   0.735  -2.046 -12.162
  989    HA   GLN 127           HA       GLN 127  -1.634  -0.601 -13.095
  990   1HB   GLN 127          HB2       GLN 127   0.191  -2.085 -15.026
  991   2HB   GLN 127          HB3       GLN 127  -1.402  -1.456 -15.414
  992   1HG   GLN 127          HG2       GLN 127   0.918   0.332 -14.595
  993   2HG   GLN 127          HG3       GLN 127   0.652  -0.149 -16.244
  994   1HE2  GLN 127          HE22      GLN 127  -0.899   1.631 -13.537
  995   2HE2  GLN 127          HE21      GLN 127  -1.940   2.609 -14.563
  996    H    ALA 128           H        ALA 128  -3.163  -2.255 -14.129
  997    HA   ALA 128           HA       ALA 128  -2.492  -5.052 -13.885
  998   1HB   ALA 128          HB1       ALA 128  -3.189  -4.539 -11.567
  999   2HB   ALA 128          HB2       ALA 128  -4.701  -3.828 -12.171
 1000   3HB   ALA 128          HB3       ALA 128  -4.394  -5.575 -12.367
 1001    H    GLY 129           H        GLY 129  -4.004  -6.360 -14.980
 1002   1HA   GLY 129          HA2       GLY 129  -5.465  -6.919 -16.631
 1003   2HA   GLY 129          HA3       GLY 129  -6.550  -5.805 -15.790
 1004    H    GLY 130           H        GLY 130  -3.617  -4.740 -17.561
 1005   1HA   GLY 130          HA2       GLY 130  -5.143  -2.860 -19.148
 1006   2HA   GLY 130          HA3       GLY 130  -3.416  -3.198 -19.275
 1007    H    SER 131           H        SER 131  -4.934  -2.781 -21.566
 1008    HA   SER 131           HA       SER 131  -6.132  -4.930 -22.823
 1009   1HB   SER 131          HB2       SER 131  -4.442  -2.771 -24.143
 1010   2HB   SER 131          HB3       SER 131  -5.797  -3.668 -24.855
 1011    HG   SER 131           HG       SER 131  -6.416  -1.588 -24.103
 1012    H    GLY 132           H        GLY 132  -5.256  -6.932 -22.885
 1013   1HA   GLY 132          HA2       GLY 132  -3.779  -8.659 -23.023
 1014   2HA   GLY 132          HA3       GLY 132  -3.135  -7.838 -24.456
 1015    H    MET 133           H        MET 133  -3.054  -6.452 -21.226
 1016    HA   MET 133           HA       MET 133  -1.484  -5.237 -20.289
 1017   1HB   MET 133          HB2       MET 133  -0.012  -6.460 -18.885
 1018   2HB   MET 133          HB3       MET 133  -1.554  -7.273 -19.037
 1019   1HG   MET 133          HG2       MET 133  -0.227  -9.070 -19.138
 1020   2HG   MET 133          HG3       MET 133  -0.318  -8.738 -20.851
 1021   1HE   MET 133          HE1       MET 133   1.842  -9.085 -17.685
 1022   2HE   MET 133          HE2       MET 133   3.346  -8.225 -18.064
 1023   3HE   MET 133          HE3       MET 133   1.853  -7.308 -17.787
 1024    H    LYS 134           H        LYS 134  -1.083  -5.228 -23.205
 1025    HA   LYS 134           HA       LYS 134   1.593  -5.507 -23.970
 1026   1HB   LYS 134          HB2       LYS 134  -0.372  -5.234 -25.473
 1027   2HB   LYS 134          HB3       LYS 134  -0.535  -3.560 -24.969
 1028   1HG   LYS 134          HG2       LYS 134   0.434  -3.627 -27.132
 1029   2HG   LYS 134          HG3       LYS 134   1.658  -3.017 -26.033
 1030   1HD   LYS 134          HD2       LYS 134   1.585  -5.975 -26.709
 1031   2HD   LYS 134          HD3       LYS 134   2.190  -4.829 -27.907
 1032   1HE   LYS 134          HE2       LYS 134   3.924  -4.022 -26.412
 1033   2HE   LYS 134          HE3       LYS 134   3.302  -5.002 -25.079
 1034   1HZ   LYS 134          HZ1       LYS 134   5.185  -6.056 -26.143
 1035   2HZ   LYS 134          HZ2       LYS 134   3.835  -6.973 -26.285
 1036   3HZ   LYS 134          HZ3       LYS 134   4.398  -6.122 -27.586
 1037    H    MET 135           H        MET 135  -0.040  -2.668 -22.595
 1038    HA   MET 135           HA       MET 135   2.126  -0.836 -22.804
 1039   1HB   MET 135          HB2       MET 135   0.809   0.260 -20.801
 1040   2HB   MET 135          HB3       MET 135   0.150   0.254 -22.425
 1041   1HG   MET 135          HG2       MET 135  -1.506  -0.251 -20.627
 1042   2HG   MET 135          HG3       MET 135  -1.441  -1.404 -21.943
 1043   1HE   MET 135          HE1       MET 135  -0.791  -0.792 -18.110
 1044   2HE   MET 135          HE2       MET 135   0.108  -2.258 -17.653
 1045   3HE   MET 135          HE3       MET 135   0.861  -1.053 -18.713
 1046    H    LEU 136           H        LEU 136   1.820  -3.547 -20.589
 1047    HA   LEU 136           HA       LEU 136   3.267  -2.351 -18.432
 1048   1HB   LEU 136          HB2       LEU 136   1.924  -4.398 -18.202
 1049   2HB   LEU 136          HB3       LEU 136   3.020  -5.282 -19.250
 1050    HG   LEU 136           HG       LEU 136   3.186  -5.620 -16.731
 1051   1HD1  LEU 136          HD11      LEU 136   5.535  -6.037 -16.718
 1052   2HD1  LEU 136          HD12      LEU 136   4.860  -6.453 -18.299
 1053   3HD1  LEU 136          HD13      LEU 136   5.797  -4.974 -18.105
 1054   1HD2  LEU 136          HD21      LEU 136   4.535  -4.103 -15.399
 1055   2HD2  LEU 136          HD22      LEU 136   4.714  -2.990 -16.743
 1056   3HD2  LEU 136          HD23      LEU 136   3.113  -3.256 -16.028
 1057    H    GLU 137           H        GLU 137   4.249  -4.087 -21.399
 1058    HA   GLU 137           HA       GLU 137   7.018  -4.280 -20.933
 1059   1HB   GLU 137          HB2       GLU 137   5.545  -5.111 -22.931
 1060   2HB   GLU 137          HB3       GLU 137   5.775  -3.476 -23.601
 1061   1HG   GLU 137          HG2       GLU 137   8.276  -3.850 -23.384
 1062   2HG   GLU 137          HG3       GLU 137   7.939  -5.522 -22.919
 1063    H    LYS 138           H        LYS 138   5.025  -1.507 -22.020
 1064    HA   LYS 138           HA       LYS 138   7.344   0.196 -22.476
 1065   1HB   LYS 138          HB2       LYS 138   4.355   0.681 -22.431
 1066   2HB   LYS 138          HB3       LYS 138   5.512   2.025 -22.465
 1067   1HG   LYS 138          HG2       LYS 138   6.579   1.207 -24.451
 1068   2HG   LYS 138          HG3       LYS 138   5.659  -0.322 -24.406
 1069   1HD   LYS 138          HD2       LYS 138   4.740   1.087 -26.123
 1070   2HD   LYS 138          HD3       LYS 138   3.560   0.945 -24.809
 1071   1HE   LYS 138          HE2       LYS 138   4.237   3.181 -23.956
 1072   2HE   LYS 138          HE3       LYS 138   5.464   3.301 -25.225
 1073   1HZ   LYS 138          HZ1       LYS 138   3.458   4.501 -25.817
 1074   2HZ   LYS 138          HZ2       LYS 138   3.679   3.277 -26.866
 1075   3HZ   LYS 138          HZ3       LYS 138   2.541   3.162 -25.698
 1076    H    ARG 139           H        ARG 139   5.095  -0.284 -19.674
 1077    HA   ARG 139           HA       ARG 139   6.189   1.980 -18.263
 1078   1HB   ARG 139          HB2       ARG 139   5.175  -0.577 -16.937
 1079   2HB   ARG 139          HB3       ARG 139   5.276   1.030 -16.234
 1080   1HG   ARG 139          HG2       ARG 139   3.303   0.032 -18.312
 1081   2HG   ARG 139          HG3       ARG 139   2.991   0.508 -16.663
 1082   1HD   ARG 139          HD2       ARG 139   3.742   2.866 -17.308
 1083   2HD   ARG 139          HD3       ARG 139   3.753   2.310 -18.991
 1084    HE   ARG 139           HE       ARG 139   1.397   2.310 -17.137
 1085   1HH1  ARG 139          HH21      ARG 139   2.646   2.961 -20.395
 1086   2HH1  ARG 139          HH22      ARG 139   1.092   3.225 -21.093
 1087   1HH2  ARG 139          HH11      ARG 139  -0.674   2.418 -18.108
 1088   2HH2  ARG 139          HH12      ARG 139  -0.843   2.979 -19.738
 1089    H    VAL 140           H        VAL 140   7.152  -1.464 -18.381
 1090    HA   VAL 140           HA       VAL 140   9.276  -1.288 -16.446
 1091    HB   VAL 140           HB       VAL 140   8.860  -3.079 -18.873
 1092   1HG1  VAL 140          HG11      VAL 140  10.313  -4.701 -17.756
 1093   2HG1  VAL 140          HG12      VAL 140  11.187  -3.230 -18.171
 1094   3HG1  VAL 140          HG13      VAL 140  10.697  -3.509 -16.484
 1095   1HG2  VAL 140          HG21      VAL 140   8.298  -3.609 -15.888
 1096   2HG2  VAL 140          HG22      VAL 140   7.039  -3.256 -17.067
 1097   3HG2  VAL 140          HG23      VAL 140   7.983  -4.739 -17.220
 1098    H    ASN 141           H        ASN 141   9.064  -0.927 -20.050
 1099    HA   ASN 141           HA       ASN 141  11.816  -0.513 -20.225
 1100   1HB   ASN 141          HB2       ASN 141   9.566  -0.057 -22.152
 1101   2HB   ASN 141          HB3       ASN 141  11.063   0.810 -22.467
 1102   1HD2  ASN 141          HD22      ASN 141   9.752  -2.480 -21.981
 1103   2HD2  ASN 141          HD21      ASN 141  11.119  -3.294 -22.749
 1104    H    ARG 142           H        ARG 142   9.233   1.806 -19.536
 1105    HA   ARG 142           HA       ARG 142  10.886   4.134 -19.862
 1106   1HB   ARG 142          HB2       ARG 142   8.368   3.661 -18.244
 1107   2HB   ARG 142          HB3       ARG 142   9.142   5.219 -18.431
 1108   1HG   ARG 142          HG2       ARG 142   7.158   4.082 -20.029
 1109   2HG   ARG 142          HG3       ARG 142   7.984   5.619 -20.242
 1110   1HD   ARG 142          HD2       ARG 142   8.867   3.033 -21.559
 1111   2HD   ARG 142          HD3       ARG 142   7.778   4.183 -22.286
 1112    HE   ARG 142           HE       ARG 142   9.898   5.772 -21.610
 1113   1HH1  ARG 142          HH21      ARG 142   9.566   2.843 -23.580
 1114   2HH1  ARG 142          HH22      ARG 142  10.968   3.151 -24.536
 1115   1HH2  ARG 142          HH11      ARG 142  11.758   6.201 -22.898
 1116   2HH2  ARG 142          HH12      ARG 142  12.228   5.114 -24.146
 1117    H    VAL 143           H        VAL 143  10.138   2.052 -17.000
 1118    HA   VAL 143           HA       VAL 143  11.826   3.546 -15.250
 1119    HB   VAL 143           HB       VAL 143  10.931   0.650 -15.222
 1120   1HG1  VAL 143          HG11      VAL 143  12.347   2.225 -13.024
 1121   2HG1  VAL 143          HG12      VAL 143  11.595   0.622 -12.829
 1122   3HG1  VAL 143          HG13      VAL 143  12.985   0.819 -13.901
 1123   1HG2  VAL 143          HG21      VAL 143   9.417   1.507 -13.410
 1124   2HG2  VAL 143          HG22      VAL 143  10.030   3.145 -13.697
 1125   3HG2  VAL 143          HG23      VAL 143   9.108   2.302 -14.954
 1126    H    LEU 144           H        LEU 144  12.631   1.012 -17.715
 1127    HA   LEU 144           HA       LEU 144  15.377   0.759 -16.791
 1128   1HB   LEU 144          HB2       LEU 144  13.926   0.113 -19.378
 1129   2HB   LEU 144          HB3       LEU 144  15.658  -0.114 -19.229
 1130    HG   LEU 144           HG       LEU 144  13.836  -1.335 -17.132
 1131   1HD1  LEU 144          HD11      LEU 144  13.729  -3.386 -18.526
 1132   2HD1  LEU 144          HD12      LEU 144  12.871  -1.998 -19.218
 1133   3HD1  LEU 144          HD13      LEU 144  14.447  -2.475 -19.884
 1134   1HD2  LEU 144          HD21      LEU 144  16.322  -1.319 -16.825
 1135   2HD2  LEU 144          HD22      LEU 144  15.650  -2.954 -16.957
 1136   3HD2  LEU 144          HD23      LEU 144  16.494  -2.220 -18.340
 1137    H    ALA 145           H        ALA 145  13.705   2.737 -19.206
 1138    HA   ALA 145           HA       ALA 145  15.972   4.062 -20.268
 1139   1HB   ALA 145          HB1       ALA 145  13.102   5.075 -20.001
 1140   2HB   ALA 145          HB2       ALA 145  14.344   5.720 -21.091
 1141   3HB   ALA 145          HB3       ALA 145  13.724   4.069 -21.320
 1142    H    GLU 146           H        GLU 146  13.936   4.780 -17.428
 1143    HA   GLU 146           HA       GLU 146  15.264   7.262 -16.759
 1144   1HB   GLU 146          HB2       GLU 146  13.263   5.431 -15.394
 1145   2HB   GLU 146          HB3       GLU 146  13.911   6.869 -14.593
 1146   1HG   GLU 146          HG2       GLU 146  13.118   8.297 -16.453
 1147   2HG   GLU 146          HG3       GLU 146  12.412   6.898 -17.252
 1148    H    THR 147           H        THR 147  15.939   3.887 -16.031
 1149    HA   THR 147           HA       THR 147  17.454   4.211 -13.645
 1150    HB   THR 147           HB       THR 147  17.709   2.185 -15.907
 1151    HG1  THR 147           HG1      THR 147  15.659   2.294 -14.778
 1152   1HG2  THR 147          HG21      THR 147  18.730   0.688 -14.251
 1153   2HG2  THR 147          HG22      THR 147  19.730   2.107 -14.504
 1154   3HG2  THR 147          HG23      THR 147  18.724   1.992 -13.044
 1155    H    GLU 148           H        GLU 148  19.680   4.531 -13.316
 1156    HA   GLU 148           HA       GLU 148  20.977   6.503 -14.828
 1157   1HB   GLU 148          HB2       GLU 148  22.118   4.475 -12.856
 1158   2HB   GLU 148          HB3       GLU 148  22.990   5.878 -13.484
 1159   1HG   GLU 148          HG2       GLU 148  21.246   7.381 -12.517
 1160   2HG   GLU 148          HG3       GLU 148  20.444   5.974 -11.812
  Start of MODEL   11
    1   1H    MET   1           H1       MET   1  -0.350   0.017  -1.480
    2   2H    MET   1           H2       MET   1  -0.957  -0.407  -2.941
    3   3H    MET   1           H3       MET   1  -0.216  -1.537  -2.008
    4    HA   MET   1           HA       MET   1   1.879  -0.312  -2.179
    5   1HB   MET   1          HB2       MET   1   0.543  -1.667  -4.466
    6   2HB   MET   1          HB3       MET   1   1.997  -0.760  -4.844
    7   1HG   MET   1          HG2       MET   1   2.256  -2.410  -2.395
    8   2HG   MET   1          HG3       MET   1   1.925  -3.329  -3.857
    9   1HE   MET   1          HE1       MET   1   5.984  -1.879  -2.592
   10   2HE   MET   1          HE2       MET   1   4.458  -1.473  -1.766
   11   3HE   MET   1          HE3       MET   1   4.982  -3.161  -1.914
   12    H    LYS   2           H        LYS   2   1.872   1.878  -1.663
   13    HA   LYS   2           HA       LYS   2   1.015   3.917  -3.616
   14   1HB   LYS   2          HB2       LYS   2   2.783   4.015  -1.113
   15   2HB   LYS   2          HB3       LYS   2   2.425   5.417  -2.124
   16   1HG   LYS   2          HG2       LYS   2   0.021   5.179  -1.681
   17   2HG   LYS   2          HG3       LYS   2   0.334   3.752  -0.668
   18   1HD   LYS   2          HD2       LYS   2   1.677   5.147   0.891
   19   2HD   LYS   2          HD3       LYS   2   1.441   6.549  -0.157
   20   1HE   LYS   2          HE2       LYS   2  -0.082   6.766   1.670
   21   2HE   LYS   2          HE3       LYS   2  -1.021   6.419   0.218
   22   1HZ   LYS   2          HZ1       LYS   2  -1.219   4.119   0.985
   23   2HZ   LYS   2          HZ2       LYS   2  -0.315   4.439   2.313
   24   3HZ   LYS   2          HZ3       LYS   2  -1.772   5.137   2.127
   25    H    LEU   3           H        LEU   3   2.492   5.080  -4.941
   26    HA   LEU   3           HA       LEU   3   4.734   3.587  -6.031
   27   1HB   LEU   3          HB2       LEU   3   3.812   6.417  -6.668
   28   2HB   LEU   3          HB3       LEU   3   4.914   5.419  -7.610
   29    HG   LEU   3           HG       LEU   3   1.923   5.067  -7.242
   30   1HD1  LEU   3          HD11      LEU   3   1.887   5.274  -9.685
   31   2HD1  LEU   3          HD12      LEU   3   2.680   6.674  -8.948
   32   3HD1  LEU   3          HD13      LEU   3   3.660   5.412  -9.719
   33   1HD2  LEU   3          HD21      LEU   3   3.913   3.057  -8.339
   34   2HD2  LEU   3          HD22      LEU   3   2.648   2.824  -7.114
   35   3HD2  LEU   3          HD23      LEU   3   2.185   3.056  -8.793
   36    H    ARG   4           H        ARG   4   5.545   3.639  -3.746
   37    HA   ARG   4           HA       ARG   4   7.703   5.572  -3.254
   38   1HB   ARG   4          HB2       ARG   4   5.348   5.292  -1.319
   39   2HB   ARG   4          HB3       ARG   4   6.847   6.138  -0.969
   40   1HG   ARG   4          HG2       ARG   4   4.834   6.941  -3.088
   41   2HG   ARG   4          HG3       ARG   4   4.945   7.616  -1.469
   42   1HD   ARG   4          HD2       ARG   4   7.275   8.376  -1.942
   43   2HD   ARG   4          HD3       ARG   4   7.130   7.806  -3.600
   44    HE   ARG   4           HE       ARG   4   5.906  10.166  -2.361
   45   1HH1  ARG   4          HH21      ARG   4   5.857   8.053  -5.231
   46   2HH1  ARG   4          HH22      ARG   4   5.182   9.267  -6.264
   47   1HH2  ARG   4          HH11      ARG   4   4.965  11.738  -3.729
   48   2HH2  ARG   4          HH12      ARG   4   4.637  11.388  -5.381
   49    H    GLN   5           H        GLN   5   5.668   2.818  -2.199
   50    HA   GLN   5           HA       GLN   5   7.057   2.196   0.171
   51   1HB   GLN   5          HB2       GLN   5   5.225   0.656  -1.692
   52   2HB   GLN   5          HB3       GLN   5   5.967  -0.153  -0.310
   53   1HG   GLN   5          HG2       GLN   5   4.943   1.437   1.249
   54   2HG   GLN   5          HG3       GLN   5   4.211   2.317  -0.101
   55   1HE2  GLN   5          HE22      GLN   5   4.375  -1.084   1.241
   56   2HE2  GLN   5          HE21      GLN   5   2.720  -1.457   0.852
   57    HA   PRO   6           HA       PRO   6  10.484  -0.350  -1.386
   58   1HB   PRO   6          HB2       PRO   6  11.039  -1.894   0.788
   59   2HB   PRO   6          HB3       PRO   6  11.408  -0.146   0.775
   60   1HG   PRO   6          HG2       PRO   6   8.992  -1.529   1.972
   61   2HG   PRO   6          HG3       PRO   6  10.042  -0.287   2.725
   62   1HD   PRO   6          HD2       PRO   6   7.652   0.304   1.501
   63   2HD   PRO   6          HD3       PRO   6   9.031   1.441   1.494
   64    H    MET   7           H        MET   7  10.802  -2.777  -1.802
   65    HA   MET   7           HA       MET   7   8.371  -4.177  -2.360
   66   1HB   MET   7          HB2       MET   7  11.249  -5.002  -2.130
   67   2HB   MET   7          HB3       MET   7  10.043  -6.281  -2.057
   68   1HG   MET   7          HG2       MET   7   9.096  -5.680  -4.162
   69   2HG   MET   7          HG3       MET   7  10.034  -4.196  -4.238
   70   1HE   MET   7          HE1       MET   7  12.990  -4.812  -3.645
   71   2HE   MET   7          HE2       MET   7  13.415  -4.910  -5.370
   72   3HE   MET   7          HE3       MET   7  12.132  -3.785  -4.820
   73    HA   PRO   8           HA       PRO   8   7.457  -5.469   1.896
   74   1HB   PRO   8          HB2       PRO   8   5.728  -7.548   1.525
   75   2HB   PRO   8          HB3       PRO   8   5.309  -5.872   1.079
   76   1HG   PRO   8          HG2       PRO   8   6.354  -8.073  -0.712
   77   2HG   PRO   8          HG3       PRO   8   4.954  -7.007  -0.989
   78   1HD   PRO   8          HD2       PRO   8   7.414  -6.457  -2.071
   79   2HD   PRO   8          HD3       PRO   8   6.296  -5.165  -1.549
   80    H    GLU   9           H        GLU   9   7.283  -7.957   3.001
   81    HA   GLU   9           HA       GLU   9   9.977  -8.915   2.936
   82   1HB   GLU   9          HB2       GLU   9   7.524 -10.219   4.198
   83   2HB   GLU   9          HB3       GLU   9   9.205 -10.507   4.665
   84   1HG   GLU   9          HG2       GLU   9   7.741  -7.855   4.905
   85   2HG   GLU   9          HG3       GLU   9   7.928  -9.016   6.210
   86    H    LEU  10           H        LEU  10   7.646  -9.416   0.935
   87    HA   LEU  10           HA       LEU  10   7.005 -10.874  -0.744
   88   1HB   LEU  10          HB2       LEU  10   9.977 -11.469  -0.795
   89   2HB   LEU  10          HB3       LEU  10   8.814 -11.876  -2.060
   90    HG   LEU  10           HG       LEU  10   9.397  -9.033  -1.176
   91   1HD1  LEU  10          HD11      LEU  10  10.716  -8.778  -3.189
   92   2HD1  LEU  10          HD12      LEU  10  11.377 -10.098  -2.212
   93   3HD1  LEU  10          HD13      LEU  10  10.410 -10.464  -3.656
   94   1HD2  LEU  10          HD21      LEU  10   7.152  -9.399  -2.246
   95   2HD2  LEU  10          HD22      LEU  10   8.230  -8.375  -3.196
   96   3HD2  LEU  10          HD23      LEU  10   7.974 -10.075  -3.659
   97    H    THR  11           H        THR  11   5.902 -11.901   1.114
   98    HA   THR  11           HA       THR  11   6.680 -14.489   2.052
   99    HB   THR  11           HB       THR  11   4.091 -14.561   2.444
  100    HG1  THR  11           HG1      THR  11   3.436 -12.961   1.038
  101   1HG2  THR  11          HG21      THR  11   4.259 -13.004   4.342
  102   2HG2  THR  11          HG22      THR  11   5.725 -13.991   4.217
  103   3HG2  THR  11          HG23      THR  11   5.746 -12.299   3.670
  104    H    GLY  12           H        GLY  12   5.916 -16.544   1.339
  105   1HA   GLY  12          HA2       GLY  12   4.443 -16.978  -1.089
  106   2HA   GLY  12          HA3       GLY  12   6.199 -17.122  -1.354
  107    H    GLU  13           H        GLU  13   3.895 -17.955   1.283
  108    HA   GLU  13           HA       GLU  13   5.578 -20.009   2.280
  109   1HB   GLU  13          HB2       GLU  13   2.684 -19.317   2.903
  110   2HB   GLU  13          HB3       GLU  13   3.673 -20.451   3.831
  111   1HG   GLU  13          HG2       GLU  13   5.327 -18.606   4.250
  112   2HG   GLU  13          HG3       GLU  13   4.225 -17.477   3.458
  113    H    LYS  14           H        LYS  14   3.423 -20.273  -0.428
  114    HA   LYS  14           HA       LYS  14   2.852 -23.110   0.040
  115   1HB   LYS  14          HB2       LYS  14   1.532 -21.546  -1.522
  116   2HB   LYS  14          HB3       LYS  14   2.840 -21.788  -2.669
  117   1HG   LYS  14          HG2       LYS  14   2.081 -24.400  -1.676
  118   2HG   LYS  14          HG3       LYS  14   0.596 -23.521  -1.922
  119   1HD   LYS  14          HD2       LYS  14   1.151 -24.846  -3.893
  120   2HD   LYS  14          HD3       LYS  14   1.130 -23.137  -4.266
  121   1HE   LYS  14          HE2       LYS  14   3.040 -24.045  -5.409
  122   2HE   LYS  14          HE3       LYS  14   3.655 -23.107  -4.053
  123   1HZ   LYS  14          HZ1       LYS  14   4.717 -25.324  -4.330
  124   2HZ   LYS  14          HZ2       LYS  14   4.060 -25.140  -2.847
  125   3HZ   LYS  14          HZ3       LYS  14   3.307 -26.064  -3.980
  126    H    ALA  15           H        ALA  15   5.519 -21.222  -1.138
  127    HA   ALA  15           HA       ALA  15   7.624 -22.243  -0.574
  128   1HB   ALA  15          HB1       ALA  15   6.942 -24.358  -2.650
  129   2HB   ALA  15          HB2       ALA  15   8.492 -24.176  -1.816
  130   3HB   ALA  15          HB3       ALA  15   7.073 -24.619  -0.884
  131    H    TRP  16           H        TRP  16   9.499 -22.385  -2.127
  132    HA   TRP  16           HA       TRP  16   9.567 -20.221  -4.043
  133   1HB   TRP  16          HB2       TRP  16  11.450 -22.558  -3.447
  134   2HB   TRP  16          HB3       TRP  16  11.848 -21.166  -4.425
  135    HD1  TRP  16           HD1      TRP  16  12.360 -22.413  -1.076
  136    HE1  TRP  16           HE1      TRP  16  13.227 -20.578   0.471
  137    HE3  TRP  16           HE3      TRP  16  11.219 -18.337  -3.951
  138    HZ2  TRP  16           HZ2      TRP  16  13.258 -17.681   0.553
  139    HZ3  TRP  16           HZ3      TRP  16  11.722 -16.053  -3.128
  140    HH2  TRP  16           HH2      TRP  16  12.698 -15.716  -0.861
  141    H    LEU  17           H        LEU  17  10.024 -20.508  -6.335
  142    HA   LEU  17           HA       LEU  17  10.050 -23.155  -7.520
  143   1HB   LEU  17          HB2       LEU  17   7.613 -22.524  -7.417
  144   2HB   LEU  17          HB3       LEU  17   8.003 -21.022  -8.243
  145    HG   LEU  17           HG       LEU  17   8.729 -22.325 -10.246
  146   1HD1  LEU  17          HD11      LEU  17   8.080 -24.737 -10.380
  147   2HD1  LEU  17          HD12      LEU  17   9.344 -24.473  -9.174
  148   3HD1  LEU  17          HD13      LEU  17   7.663 -24.708  -8.650
  149   1HD2  LEU  17          HD21      LEU  17   6.411 -21.463 -10.032
  150   2HD2  LEU  17          HD22      LEU  17   6.435 -22.985 -10.930
  151   3HD2  LEU  17          HD23      LEU  17   5.913 -22.958  -9.218
  152    H    ASN  18           H        ASN  18  11.215 -23.011  -9.486
  153    HA   ASN  18           HA       ASN  18  12.686 -22.338 -10.922
  154   1HB   ASN  18          HB2       ASN  18  10.957 -19.845 -10.933
  155   2HB   ASN  18          HB3       ASN  18  12.400 -19.912 -11.916
  156   1HD2  ASN  18          HD22      ASN  18  10.302 -19.350 -13.231
  157   2HD2  ASN  18          HD21      ASN  18   9.799 -20.684 -14.271
  158    H    GLY  19           H        GLY  19  12.754 -20.782  -8.086
  159   1HA   GLY  19          HA2       GLY  19  15.489 -20.636  -7.727
  160   2HA   GLY  19          HA3       GLY  19  15.019 -19.084  -8.452
  161    H    GLU  20           H        GLU  20  15.861 -18.527  -6.378
  162    HA   GLU  20           HA       GLU  20  13.803 -18.082  -4.299
  163   1HB   GLU  20          HB2       GLU  20  16.679 -18.804  -3.599
  164   2HB   GLU  20          HB3       GLU  20  15.324 -18.550  -2.491
  165   1HG   GLU  20          HG2       GLU  20  14.265 -20.627  -3.315
  166   2HG   GLU  20          HG3       GLU  20  15.576 -20.862  -4.464
  167    H    VAL  21           H        VAL  21  13.880 -15.912  -3.567
  168    HA   VAL  21           HA       VAL  21  16.119 -14.136  -4.192
  169    HB   VAL  21           HB       VAL  21  14.319 -12.636  -5.431
  170   1HG1  VAL  21          HG11      VAL  21  15.106 -13.333  -7.587
  171   2HG1  VAL  21          HG12      VAL  21  16.425 -13.361  -6.400
  172   3HG1  VAL  21          HG13      VAL  21  15.670 -14.884  -6.943
  173   1HG2  VAL  21          HG21      VAL  21  13.263 -15.368  -6.259
  174   2HG2  VAL  21          HG22      VAL  21  12.436 -14.266  -5.151
  175   3HG2  VAL  21          HG23      VAL  21  12.724 -13.774  -6.823
  176    H    THR  22           H        THR  22  15.619 -11.899  -3.459
  177    HA   THR  22           HA       THR  22  13.263 -11.540  -1.760
  178    HB   THR  22           HB       THR  22  14.458 -10.734   0.145
  179    HG1  THR  22           HG1      THR  22  16.731 -10.710   0.192
  180   1HG2  THR  22          HG21      THR  22  14.300 -13.215   0.116
  181   2HG2  THR  22          HG22      THR  22  15.928 -13.280  -0.614
  182   3HG2  THR  22          HG23      THR  22  15.703 -12.604   1.015
  183    H    ARG  23           H        ARG  23  13.434  -9.092  -0.967
  184    HA   ARG  23           HA       ARG  23  13.636  -7.217  -3.090
  185   1HB   ARG  23          HB2       ARG  23  12.456  -6.699  -1.043
  186   2HB   ARG  23          HB3       ARG  23  13.860  -7.091  -0.049
  187   1HG   ARG  23          HG2       ARG  23  14.949  -4.978  -1.226
  188   2HG   ARG  23          HG3       ARG  23  13.292  -4.558  -1.586
  189   1HD   ARG  23          HD2       ARG  23  14.591  -4.923   1.117
  190   2HD   ARG  23          HD3       ARG  23  13.887  -3.465   0.449
  191    HE   ARG  23           HE       ARG  23  11.655  -4.515   0.677
  192   1HH1  ARG  23          HH21      ARG  23  14.280  -5.933   2.745
  193   2HH1  ARG  23          HH22      ARG  23  13.121  -6.493   3.899
  194   1HH2  ARG  23          HH11      ARG  23  10.291  -5.296   2.171
  195   2HH2  ARG  23          HH12      ARG  23  10.819  -6.170   3.598
  196    H    GLU  24           H        GLU  24  16.048  -8.335  -0.672
  197    HA   GLU  24           HA       GLU  24  17.931  -6.294  -1.721
  198   1HB   GLU  24          HB2       GLU  24  17.788  -7.990   0.797
  199   2HB   GLU  24          HB3       GLU  24  19.221  -7.026   0.410
  200   1HG   GLU  24          HG2       GLU  24  18.101  -4.977   0.601
  201   2HG   GLU  24          HG3       GLU  24  16.519  -5.691   0.346
  202    H    GLN  25           H        GLN  25  17.486  -9.730  -2.029
  203    HA   GLN  25           HA       GLN  25  20.191 -10.548  -2.262
  204   1HB   GLN  25          HB2       GLN  25  17.525 -11.583  -3.234
  205   2HB   GLN  25          HB3       GLN  25  18.963 -12.279  -3.946
  206   1HG   GLN  25          HG2       GLN  25  18.356 -12.217  -0.963
  207   2HG   GLN  25          HG3       GLN  25  18.170 -13.605  -2.037
  208   1HE2  GLN  25          HE22      GLN  25  20.580 -13.448  -3.556
  209   2HE2  GLN  25          HE21      GLN  25  21.925 -13.729  -2.481
  210    H    LEU  26           H        LEU  26  18.119  -8.897  -4.553
  211    HA   LEU  26           HA       LEU  26  20.275  -8.982  -6.604
  212   1HB   LEU  26          HB2       LEU  26  18.380  -9.053  -8.261
  213   2HB   LEU  26          HB3       LEU  26  18.737 -10.493  -7.331
  214    HG   LEU  26           HG       LEU  26  16.796 -10.215  -5.938
  215   1HD1  LEU  26          HD11      LEU  26  16.468  -7.803  -5.791
  216   2HD1  LEU  26          HD12      LEU  26  16.058  -7.724  -7.519
  217   3HD1  LEU  26          HD13      LEU  26  15.019  -8.590  -6.382
  218   1HD2  LEU  26          HD21      LEU  26  15.084 -10.649  -7.662
  219   2HD2  LEU  26          HD22      LEU  26  16.185 -10.010  -8.905
  220   3HD2  LEU  26          HD23      LEU  26  16.618 -11.465  -8.013
  221    H    ILE  27           H        ILE  27  18.489  -6.807  -4.685
  222    HA   ILE  27           HA       ILE  27  18.381  -4.673  -6.641
  223    HB   ILE  27           HB       ILE  27  17.929  -4.995  -3.712
  224   1HG1  ILE  27          HG12      ILE  27  16.167  -5.253  -5.454
  225   2HG1  ILE  27          HG13      ILE  27  15.785  -4.047  -4.223
  226   1HG2  ILE  27          HG21      ILE  27  19.269  -3.041  -3.472
  227   2HG2  ILE  27          HG22      ILE  27  18.378  -2.194  -4.751
  228   3HG2  ILE  27          HG23      ILE  27  17.569  -2.633  -3.239
  229   1HD1  ILE  27          HD11      ILE  27  16.715  -3.474  -7.069
  230   2HD1  ILE  27          HD12      ILE  27  15.081  -3.299  -6.417
  231   3HD1  ILE  27          HD13      ILE  27  16.381  -2.257  -5.824
  232    H    GLY  28           H        GLY  28  19.596  -2.758  -6.599
  233   1HA   GLY  28          HA2       GLY  28  21.656  -1.867  -5.286
  234   2HA   GLY  28          HA3       GLY  28  22.507  -3.164  -6.144
  235    H    GLU  29           H        GLU  29  21.306  -3.093  -8.648
  236    HA   GLU  29           HA       GLU  29  21.809  -0.329  -9.667
  237   1HB   GLU  29          HB2       GLU  29  23.872  -1.953  -9.597
  238   2HB   GLU  29          HB3       GLU  29  23.055  -2.772 -10.925
  239   1HG   GLU  29          HG2       GLU  29  24.387  -1.292 -12.104
  240   2HG   GLU  29          HG3       GLU  29  22.927  -0.305 -11.960
  241    H    LYS  30           H        LYS  30  20.112  -3.406 -10.055
  242    HA   LYS  30           HA       LYS  30  19.166  -2.574 -12.761
  243   1HB   LYS  30          HB2       LYS  30  19.059  -5.282 -11.410
  244   2HB   LYS  30          HB3       LYS  30  18.493  -4.912 -13.033
  245   1HG   LYS  30          HG2       LYS  30  21.403  -4.766 -12.081
  246   2HG   LYS  30          HG3       LYS  30  20.661  -6.071 -12.990
  247   1HD   LYS  30          HD2       LYS  30  21.775  -4.965 -14.646
  248   2HD   LYS  30          HD3       LYS  30  20.159  -4.276 -14.810
  249   1HE   LYS  30          HE2       LYS  30  20.904  -2.255 -13.561
  250   2HE   LYS  30          HE3       LYS  30  22.492  -2.984 -13.317
  251   1HZ   LYS  30          HZ1       LYS  30  22.844  -2.884 -15.697
  252   2HZ   LYS  30          HZ2       LYS  30  21.342  -2.278 -15.954
  253   3HZ   LYS  30          HZ3       LYS  30  22.448  -1.394 -15.141
  254    HA   PRO  31           HA       PRO  31  15.267  -1.590 -10.676
  255   1HB   PRO  31          HB2       PRO  31  14.230  -1.982 -13.481
  256   2HB   PRO  31          HB3       PRO  31  13.884  -0.666 -12.309
  257   1HG   PRO  31          HG2       PRO  31  15.599  -0.220 -14.359
  258   2HG   PRO  31          HG3       PRO  31  15.998   0.355 -12.706
  259   1HD   PRO  31          HD2       PRO  31  16.957  -2.178 -14.078
  260   2HD   PRO  31          HD3       PRO  31  17.908  -0.940 -13.199
  261    H    THR  32           H        THR  32  13.168  -2.740 -10.390
  262    HA   THR  32           HA       THR  32  13.443  -5.660 -10.900
  263    HB   THR  32           HB       THR  32  12.835  -4.275  -8.254
  264    HG1  THR  32           HG1      THR  32  14.996  -4.119  -8.737
  265   1HG2  THR  32          HG21      THR  32  11.704  -6.447  -8.322
  266   2HG2  THR  32          HG22      THR  32  13.205  -7.241  -8.844
  267   3HG2  THR  32          HG23      THR  32  13.101  -6.512  -7.237
  268    H    LEU  33           H        LEU  33  11.622  -6.783 -11.225
  269    HA   LEU  33           HA       LEU  33   9.041  -5.274 -11.344
  270   1HB   LEU  33          HB2       LEU  33   9.810  -5.368 -13.621
  271   2HB   LEU  33          HB3       LEU  33  10.371  -7.035 -13.435
  272    HG   LEU  33           HG       LEU  33   7.989  -7.799 -13.206
  273   1HD1  LEU  33          HD11      LEU  33   6.973  -5.629 -12.450
  274   2HD1  LEU  33          HD12      LEU  33   7.296  -4.962 -14.064
  275   3HD1  LEU  33          HD13      LEU  33   6.167  -6.317 -13.856
  276   1HD2  LEU  33          HD21      LEU  33   7.451  -7.499 -15.595
  277   2HD2  LEU  33          HD22      LEU  33   8.717  -6.260 -15.718
  278   3HD2  LEU  33          HD23      LEU  33   9.151  -7.928 -15.337
  279    H    ILE  34           H        ILE  34   7.500  -6.344 -10.251
  280    HA   ILE  34           HA       ILE  34   7.751  -9.300  -9.863
  281    HB   ILE  34           HB       ILE  34   6.375  -7.224  -8.110
  282   1HG1  ILE  34          HG12      ILE  34   8.772  -8.943  -7.399
  283   2HG1  ILE  34          HG13      ILE  34   8.873  -7.237  -7.836
  284   1HG2  ILE  34          HG21      ILE  34   5.162  -9.421  -8.227
  285   2HG2  ILE  34          HG22      ILE  34   6.646 -10.222  -7.654
  286   3HG2  ILE  34          HG23      ILE  34   5.761  -9.076  -6.625
  287   1HD1  ILE  34          HD11      ILE  34   7.466  -6.654  -5.884
  288   2HD1  ILE  34          HD12      ILE  34   7.415  -8.369  -5.420
  289   3HD1  ILE  34          HD13      ILE  34   8.955  -7.521  -5.437
  290    H    HIS  35           H        HIS  35   6.077 -10.384 -10.926
  291    HA   HIS  35           HA       HIS  35   3.586  -8.813 -11.388
  292   1HB   HIS  35          HB2       HIS  35   3.112  -9.927 -13.400
  293   2HB   HIS  35          HB3       HIS  35   4.666  -9.079 -13.571
  294    HD1  HIS  35           HD1      HIS  35   3.004 -12.399 -13.950
  295    HD2  HIS  35           HD2      HIS  35   6.893 -10.824 -13.697
  296    HE1  HIS  35           HE1      HIS  35   4.590 -14.269 -14.642
  297    H    PHE  36           H        PHE  36   1.726  -9.789 -10.916
  298    HA   PHE  36           HA       PHE  36   1.788 -12.442  -9.626
  299   1HB   PHE  36          HB2       PHE  36  -0.048 -10.035  -9.487
  300   2HB   PHE  36          HB3       PHE  36  -0.620 -11.657  -9.106
  301    HD1  PHE  36           HD1      PHE  36   2.498  -9.666  -8.156
  302    HD2  PHE  36           HD2      PHE  36  -0.875 -12.043  -6.910
  303    HE1  PHE  36           HE1      PHE  36   3.254  -9.535  -5.811
  304    HE2  PHE  36           HE2      PHE  36  -0.098 -11.899  -4.561
  305    HZ   PHE  36           HZ       PHE  36   1.909 -10.579  -4.014
  306    H    TRP  37           H        TRP  37   0.612 -14.028 -10.569
  307    HA   TRP  37           HA       TRP  37  -1.249 -13.612 -12.756
  308   1HB   TRP  37          HB2       TRP  37  -0.012 -15.022 -14.332
  309   2HB   TRP  37          HB3       TRP  37   0.954 -13.621 -13.928
  310    HD1  TRP  37           HD1      TRP  37   3.115 -14.077 -12.256
  311    HE1  TRP  37           HE1      TRP  37   4.470 -16.167 -11.764
  312    HE3  TRP  37           HE3      TRP  37   0.096 -17.562 -14.498
  313    HZ2  TRP  37           HZ2      TRP  37   4.251 -19.058 -12.228
  314    HZ3  TRP  37           HZ3      TRP  37   0.727 -19.948 -14.512
  315    HH2  TRP  37           HH2      TRP  37   2.812 -20.710 -13.389
  316    H    SER  38           H        SER  38  -1.923 -16.114 -13.418
  317    HA   SER  38           HA       SER  38  -1.163 -18.087 -11.529
  318   1HB   SER  38          HB2       SER  38  -2.988 -18.463 -10.288
  319   2HB   SER  38          HB3       SER  38  -3.293 -16.749 -10.545
  320    HG   SER  38           HG       SER  38  -4.662 -18.939 -11.264
  321    H    ILE  39           H        ILE  39  -2.205 -20.249 -12.176
  322    HA   ILE  39           HA       ILE  39  -2.083 -20.554 -15.031
  323    HB   ILE  39           HB       ILE  39  -2.715 -22.923 -14.555
  324   1HG1  ILE  39          HG12      ILE  39  -2.578 -22.144 -11.615
  325   2HG1  ILE  39          HG13      ILE  39  -4.049 -22.559 -12.490
  326   1HG2  ILE  39          HG21      ILE  39  -0.367 -22.054 -14.680
  327   2HG2  ILE  39          HG22      ILE  39  -0.354 -21.983 -12.904
  328   3HG2  ILE  39          HG23      ILE  39  -0.569 -23.532 -13.763
  329   1HD1  ILE  39          HD11      ILE  39  -1.704 -24.479 -12.066
  330   2HD1  ILE  39          HD12      ILE  39  -3.181 -24.438 -11.114
  331   3HD1  ILE  39          HD13      ILE  39  -3.270 -24.846 -12.826
  332    H    SER  40           H        SER  40  -4.692 -19.230 -13.335
  333    HA   SER  40           HA       SER  40  -6.603 -20.390 -15.326
  334   1HB   SER  40          HB2       SER  40  -8.295 -20.399 -13.576
  335   2HB   SER  40          HB3       SER  40  -6.916 -21.426 -13.158
  336    HG   SER  40           HG       SER  40  -6.253 -20.039 -11.672
  337    H    CYS  41           H        CYS  41  -5.567 -17.338 -13.786
  338    HA   CYS  41           HA       CYS  41  -8.021 -16.002 -14.195
  339   1HB   CYS  41          HB2       CYS  41  -6.312 -13.909 -14.322
  340   2HB   CYS  41          HB3       CYS  41  -6.895 -14.661 -12.870
  341    H    HIS  42           H        HIS  42  -8.939 -14.842 -15.756
  342    HA   HIS  42           HA       HIS  42  -8.464 -15.690 -18.395
  343   1HB   HIS  42          HB2       HIS  42 -10.266 -13.430 -17.439
  344   2HB   HIS  42          HB3       HIS  42 -10.439 -14.360 -18.926
  345    HD1  HIS  42           HD1      HIS  42 -12.160 -14.207 -15.823
  346    HD2  HIS  42           HD2      HIS  42 -10.448 -17.315 -18.096
  347    HE1  HIS  42           HE1      HIS  42 -13.303 -16.354 -15.076
  348    H    LEU  43           H        LEU  43  -6.717 -13.226 -16.934
  349    HA   LEU  43           HA       LEU  43  -5.991 -12.302 -19.654
  350   1HB   LEU  43          HB2       LEU  43  -7.211 -10.585 -18.201
  351   2HB   LEU  43          HB3       LEU  43  -5.779 -10.522 -17.195
  352    HG   LEU  43           HG       LEU  43  -6.166  -8.724 -18.956
  353   1HD1  LEU  43          HD11      LEU  43  -3.943  -9.104 -17.832
  354   2HD1  LEU  43          HD12      LEU  43  -3.426  -9.970 -19.296
  355   3HD1  LEU  43          HD13      LEU  43  -3.910  -8.282 -19.392
  356   1HD2  LEU  43          HD21      LEU  43  -5.142 -10.819 -20.919
  357   2HD2  LEU  43          HD22      LEU  43  -6.826 -10.258 -20.795
  358   3HD2  LEU  43          HD23      LEU  43  -5.557  -9.120 -21.257
  359    H    CYS  44           H        CYS  44  -4.956 -13.747 -16.731
  360    HA   CYS  44           HA       CYS  44  -2.156 -13.334 -16.874
  361   1HB   CYS  44          HB2       CYS  44  -3.764 -15.736 -15.931
  362   2HB   CYS  44          HB3       CYS  44  -2.056 -15.461 -15.608
  363    H    LYS  45           H        LYS  45  -4.365 -15.412 -18.763
  364    HA   LYS  45           HA       LYS  45  -2.345 -16.912 -20.044
  365   1HB   LYS  45          HB2       LYS  45  -3.960 -17.803 -21.287
  366   2HB   LYS  45          HB3       LYS  45  -5.001 -17.078 -20.070
  367   1HG   LYS  45          HG2       LYS  45  -4.401 -15.893 -22.818
  368   2HG   LYS  45          HG3       LYS  45  -5.800 -16.866 -22.404
  369   1HD   LYS  45          HD2       LYS  45  -6.614 -15.216 -20.835
  370   2HD   LYS  45          HD3       LYS  45  -5.190 -14.171 -21.091
  371   1HE   LYS  45          HE2       LYS  45  -5.702 -13.981 -23.482
  372   2HE   LYS  45          HE3       LYS  45  -7.078 -15.087 -23.302
  373   1HZ   LYS  45          HZ1       LYS  45  -7.975 -13.368 -21.670
  374   2HZ   LYS  45          HZ2       LYS  45  -6.889 -12.322 -22.302
  375   3HZ   LYS  45          HZ3       LYS  45  -8.026 -12.977 -23.266
  376    H    GLU  46           H        GLU  46  -3.037 -13.521 -20.435
  377    HA   GLU  46           HA       GLU  46  -1.532 -13.426 -23.009
  378   1HB   GLU  46          HB2       GLU  46  -2.871 -11.235 -21.375
  379   2HB   GLU  46          HB3       GLU  46  -1.875 -10.936 -22.790
  380   1HG   GLU  46          HG2       GLU  46  -4.443 -12.539 -22.749
  381   2HG   GLU  46          HG3       GLU  46  -4.267 -10.900 -23.346
  382    H    ALA  47           H        ALA  47  -1.389 -12.680 -19.530
  383    HA   ALA  47           HA       ALA  47   0.985 -11.211 -19.523
  384   1HB   ALA  47          HB1       ALA  47   1.120 -11.736 -17.131
  385   2HB   ALA  47          HB2       ALA  47  -0.581 -11.441 -17.552
  386   3HB   ALA  47          HB3       ALA  47   0.023 -13.103 -17.318
  387    H    MET  48           H        MET  48   0.552 -14.757 -19.093
  388    HA   MET  48           HA       MET  48   3.248 -15.322 -18.533
  389   1HB   MET  48          HB2       MET  48   1.134 -17.034 -19.871
  390   2HB   MET  48          HB3       MET  48   2.701 -17.635 -19.326
  391   1HG   MET  48          HG2       MET  48   2.130 -16.781 -17.003
  392   2HG   MET  48          HG3       MET  48   0.526 -16.398 -17.594
  393   1HE   MET  48          HE1       MET  48  -0.509 -20.199 -18.688
  394   2HE   MET  48          HE2       MET  48  -0.732 -18.489 -19.128
  395   3HE   MET  48          HE3       MET  48   0.764 -19.349 -19.593
  396    HA   PRO  49           HA       PRO  49   4.284 -16.045 -23.127
  397   1HB   PRO  49          HB2       PRO  49   2.819 -14.550 -25.008
  398   2HB   PRO  49          HB3       PRO  49   2.665 -16.308 -24.679
  399   1HG   PRO  49          HG2       PRO  49   0.965 -14.038 -23.741
  400   2HG   PRO  49          HG3       PRO  49   0.473 -15.700 -24.156
  401   1HD   PRO  49          HD2       PRO  49   0.757 -14.841 -21.572
  402   2HD   PRO  49          HD3       PRO  49   1.083 -16.524 -22.062
  403    H    GLN  50           H        GLN  50   2.910 -12.798 -22.168
  404    HA   GLN  50           HA       GLN  50   4.928 -11.407 -23.738
  405   1HB   GLN  50          HB2       GLN  50   2.612 -10.535 -23.049
  406   2HB   GLN  50          HB3       GLN  50   3.277 -10.340 -21.424
  407   1HG   GLN  50          HG2       GLN  50   5.189  -8.971 -22.675
  408   2HG   GLN  50          HG3       GLN  50   4.020  -8.902 -23.994
  409   1HE2  GLN  50          HE22      GLN  50   1.582  -8.483 -22.790
  410   2HE2  GLN  50          HE21      GLN  50   1.662  -7.049 -21.773
  411    H    VAL  51           H        VAL  51   4.515 -12.465 -20.371
  412    HA   VAL  51           HA       VAL  51   6.767 -11.282 -19.196
  413    HB   VAL  51           HB       VAL  51   5.108 -13.759 -18.710
  414   1HG1  VAL  51          HG11      VAL  51   7.337 -14.402 -17.884
  415   2HG1  VAL  51          HG12      VAL  51   7.363 -12.933 -16.870
  416   3HG1  VAL  51          HG13      VAL  51   6.137 -14.201 -16.612
  417   1HG2  VAL  51          HG21      VAL  51   4.315 -11.366 -18.193
  418   2HG2  VAL  51          HG22      VAL  51   4.164 -12.573 -16.917
  419   3HG2  VAL  51          HG23      VAL  51   5.490 -11.395 -16.852
  420    H    ASN  52           H        ASN  52   6.396 -14.446 -20.888
  421    HA   ASN  52           HA       ASN  52   9.082 -15.274 -20.691
  422   1HB   ASN  52          HB2       ASN  52   8.001 -17.004 -21.546
  423   2HB   ASN  52          HB3       ASN  52   6.681 -16.021 -22.160
  424   1HD2  ASN  52          HD22      ASN  52   6.634 -15.409 -24.358
  425   2HD2  ASN  52          HD21      ASN  52   7.712 -16.187 -25.509
  426    H    GLU  53           H        GLU  53   7.534 -13.188 -23.157
  427    HA   GLU  53           HA       GLU  53   9.873 -12.822 -24.754
  428   1HB   GLU  53          HB2       GLU  53   7.330 -11.204 -24.381
  429   2HB   GLU  53          HB3       GLU  53   8.692 -10.546 -25.275
  430   1HG   GLU  53          HG2       GLU  53   8.667 -12.579 -26.739
  431   2HG   GLU  53          HG3       GLU  53   7.212 -13.127 -25.886
  432    H    PHE  54           H        PHE  54   8.530 -10.464 -22.277
  433    HA   PHE  54           HA       PHE  54  10.901  -8.914 -22.606
  434   1HB   PHE  54          HB2       PHE  54  10.116  -7.501 -20.826
  435   2HB   PHE  54          HB3       PHE  54   8.905  -7.823 -22.031
  436    HD1  PHE  54           HD1      PHE  54  10.008  -9.267 -18.674
  437    HD2  PHE  54           HD2      PHE  54   6.773  -7.935 -21.215
  438    HE1  PHE  54           HE1      PHE  54   8.375  -9.653 -16.843
  439    HE2  PHE  54           HE2      PHE  54   5.184  -8.269 -19.372
  440    HZ   PHE  54           HZ       PHE  54   5.977  -9.118 -17.162
  441    H    ARG  55           H        ARG  55  10.233 -11.593 -20.427
  442    HA   ARG  55           HA       ARG  55  12.482 -11.293 -18.707
  443   1HB   ARG  55          HB2       ARG  55  10.850 -12.933 -18.198
  444   2HB   ARG  55          HB3       ARG  55  10.936 -13.677 -19.773
  445   1HG   ARG  55          HG2       ARG  55  13.162 -13.834 -17.702
  446   2HG   ARG  55          HG3       ARG  55  11.862 -15.006 -17.877
  447   1HD   ARG  55          HD2       ARG  55  14.174 -14.518 -19.751
  448   2HD   ARG  55          HD3       ARG  55  13.686 -15.998 -18.965
  449    HE   ARG  55           HE       ARG  55  12.098 -14.667 -21.131
  450   1HH1  ARG  55          HH21      ARG  55  13.103 -17.838 -19.739
  451   2HH1  ARG  55          HH22      ARG  55  12.532 -18.650 -21.182
  452   1HH2  ARG  55          HH11      ARG  55  11.292 -15.879 -22.796
  453   2HH2  ARG  55          HH12      ARG  55  11.502 -17.617 -22.787
  454    H    ASP  56           H        ASP  56  12.259 -12.693 -22.056
  455    HA   ASP  56           HA       ASP  56  15.085 -13.427 -21.990
  456   1HB   ASP  56          HB2       ASP  56  13.609 -14.690 -23.381
  457   2HB   ASP  56          HB3       ASP  56  13.086 -13.244 -24.259
  458    H    LYS  57           H        LYS  57  13.161 -10.738 -23.377
  459    HA   LYS  57           HA       LYS  57  15.281  -9.455 -24.749
  460   1HB   LYS  57          HB2       LYS  57  12.838  -8.214 -23.415
  461   2HB   LYS  57          HB3       LYS  57  13.869  -7.404 -24.598
  462   1HG   LYS  57          HG2       LYS  57  13.261  -8.950 -26.341
  463   2HG   LYS  57          HG3       LYS  57  12.410  -9.987 -25.200
  464   1HD   LYS  57          HD2       LYS  57  10.779  -8.127 -24.754
  465   2HD   LYS  57          HD3       LYS  57  11.580  -7.172 -26.023
  466   1HE   LYS  57          HE2       LYS  57  11.049  -8.980 -27.670
  467   2HE   LYS  57          HE3       LYS  57  10.311  -9.926 -26.379
  468   1HZ   LYS  57          HZ1       LYS  57   8.519  -8.910 -27.337
  469   2HZ   LYS  57          HZ2       LYS  57   8.806  -7.842 -26.111
  470   3HZ   LYS  57          HZ3       LYS  57   9.292  -7.484 -27.630
  471    H    TYR  58           H        TYR  58  14.304  -9.241 -21.349
  472    HA   TYR  58           HA       TYR  58  16.562  -7.334 -20.890
  473   1HB   TYR  58          HB2       TYR  58  13.963  -7.321 -19.377
  474   2HB   TYR  58          HB3       TYR  58  15.208  -6.081 -19.407
  475    HD1  TYR  58           HD1      TYR  58  12.033  -6.668 -20.421
  476    HD2  TYR  58           HD2      TYR  58  15.774  -5.372 -22.095
  477    HE1  TYR  58           HE1      TYR  58  10.819  -5.720 -22.376
  478    HE2  TYR  58           HE2      TYR  58  14.591  -4.396 -24.031
  479    HH   TYR  58           HH       TYR  58  12.520  -4.123 -25.097
  480    H    GLN  59           H        GLN  59  15.887 -10.488 -20.023
  481    HA   GLN  59           HA       GLN  59  16.244 -10.761 -17.424
  482   1HB   GLN  59          HB2       GLN  59  17.736 -12.822 -17.926
  483   2HB   GLN  59          HB3       GLN  59  16.079 -12.762 -18.470
  484   1HG   GLN  59          HG2       GLN  59  17.619 -13.768 -20.120
  485   2HG   GLN  59          HG3       GLN  59  16.696 -12.438 -20.749
  486   1HE2  GLN  59          HE22      GLN  59  17.824 -11.031 -22.017
  487   2HE2  GLN  59          HE21      GLN  59  19.536 -10.686 -21.869
  488    H    ASP  60           H        ASP  60  18.969  -9.500 -19.323
  489    HA   ASP  60           HA       ASP  60  20.788  -9.746 -16.991
  490   1HB   ASP  60          HB2       ASP  60  21.537 -10.351 -19.280
  491   2HB   ASP  60          HB3       ASP  60  21.254  -8.692 -19.805
  492    H    GLN  61           H        GLN  61  18.438  -7.623 -17.818
  493    HA   GLN  61           HA       GLN  61  19.880  -5.108 -17.070
  494   1HB   GLN  61          HB2       GLN  61  17.564  -5.549 -18.997
  495   2HB   GLN  61          HB3       GLN  61  18.381  -4.019 -18.706
  496   1HG   GLN  61          HG2       GLN  61  20.300  -4.666 -19.926
  497   2HG   GLN  61          HG3       GLN  61  19.965  -6.383 -19.747
  498   1HE2  GLN  61          HE22      GLN  61  19.336  -7.388 -21.597
  499   2HE2  GLN  61          HE21      GLN  61  18.209  -6.725 -22.746
  500    H    LEU  62           H        LEU  62  17.224  -7.229 -16.526
  501    HA   LEU  62           HA       LEU  62  15.791  -5.326 -14.720
  502   1HB   LEU  62          HB2       LEU  62  14.706  -5.498 -16.937
  503   2HB   LEU  62          HB3       LEU  62  14.771  -7.257 -16.848
  504    HG   LEU  62           HG       LEU  62  13.201  -7.221 -14.907
  505   1HD1  LEU  62          HD11      LEU  62  11.913  -5.137 -14.485
  506   2HD1  LEU  62          HD12      LEU  62  13.608  -4.940 -14.051
  507   3HD1  LEU  62          HD13      LEU  62  12.997  -4.246 -15.566
  508   1HD2  LEU  62          HD21      LEU  62  12.399  -7.665 -17.139
  509   2HD2  LEU  62          HD22      LEU  62  11.220  -6.635 -16.311
  510   3HD2  LEU  62          HD23      LEU  62  12.336  -5.937 -17.516
  511    H    ASN  63           H        ASN  63  15.354  -6.194 -12.750
  512    HA   ASN  63           HA       ASN  63  15.905  -9.042 -12.167
  513   1HB   ASN  63          HB2       ASN  63  15.156  -6.651 -10.493
  514   2HB   ASN  63          HB3       ASN  63  15.175  -8.272  -9.845
  515   1HD2  ASN  63          HD22      ASN  63  16.634  -5.996  -9.005
  516   2HD2  ASN  63          HD21      ASN  63  18.320  -6.513  -8.998
  517    H    VAL  64           H        VAL  64  14.095  -9.597 -13.783
  518    HA   VAL  64           HA       VAL  64  11.369  -9.008 -12.874
  519    HB   VAL  64           HB       VAL  64  11.666  -9.115 -15.200
  520   1HG1  VAL  64          HG11      VAL  64  12.893 -11.881 -14.922
  521   2HG1  VAL  64          HG12      VAL  64  12.390 -11.130 -16.447
  522   3HG1  VAL  64          HG13      VAL  64  13.685 -10.394 -15.507
  523   1HG2  VAL  64          HG21      VAL  64   9.569 -10.056 -14.337
  524   2HG2  VAL  64          HG22      VAL  64  10.053 -10.795 -15.881
  525   3HG2  VAL  64          HG23      VAL  64  10.283 -11.679 -14.371
  526    H    VAL  65           H        VAL  65  10.185 -10.219 -11.505
  527    HA   VAL  65           HA       VAL  65  10.805 -13.057 -11.079
  528    HB   VAL  65           HB       VAL  65  10.650 -12.938  -8.704
  529   1HG1  VAL  65          HG11      VAL  65  12.621 -10.749  -9.487
  530   2HG1  VAL  65          HG12      VAL  65  12.653 -11.738  -8.024
  531   3HG1  VAL  65          HG13      VAL  65  12.922 -12.502  -9.599
  532   1HG2  VAL  65          HG21      VAL  65   9.046 -11.194  -8.305
  533   2HG2  VAL  65          HG22      VAL  65  10.517 -10.812  -7.420
  534   3HG2  VAL  65          HG23      VAL  65  10.163  -9.954  -8.931
  535    H    ALA  66           H        ALA  66   8.821 -14.064  -9.933
  536    HA   ALA  66           HA       ALA  66   6.316 -12.675 -10.799
  537   1HB   ALA  66          HB1       ALA  66   7.328 -14.469 -12.377
  538   2HB   ALA  66          HB2       ALA  66   6.781 -15.611 -11.133
  539   3HB   ALA  66          HB3       ALA  66   5.613 -14.548 -11.945
  540    H    VAL  67           H        VAL  67   4.375 -13.637  -9.852
  541    HA   VAL  67           HA       VAL  67   4.764 -15.229  -7.393
  542    HB   VAL  67           HB       VAL  67   2.847 -12.885  -7.544
  543   1HG1  VAL  67          HG11      VAL  67   2.373 -14.632  -5.867
  544   2HG1  VAL  67          HG12      VAL  67   4.013 -14.463  -5.207
  545   3HG1  VAL  67          HG13      VAL  67   2.859 -13.125  -5.090
  546   1HG2  VAL  67          HG21      VAL  67   4.486 -11.615  -6.130
  547   2HG2  VAL  67          HG22      VAL  67   5.710 -12.830  -6.519
  548   3HG2  VAL  67          HG23      VAL  67   4.970 -11.835  -7.806
  549    H    HIS  68           H        HIS  68   3.457 -17.003  -7.545
  550    HA   HIS  68           HA       HIS  68   1.201 -16.952  -9.497
  551   1HB   HIS  68          HB2       HIS  68   2.723 -18.849  -9.680
  552   2HB   HIS  68          HB3       HIS  68   2.491 -19.242  -7.984
  553    HD1  HIS  68           HD1      HIS  68  -0.172 -20.082  -7.376
  554    HD2  HIS  68           HD2      HIS  68   0.859 -19.487 -11.404
  555    HE1  HIS  68           HE1      HIS  68  -2.120 -20.946  -8.758
  556    H    MET  69           H        MET  69  -0.840 -16.681  -8.703
  557    HA   MET  69           HA       MET  69  -1.124 -16.447  -5.750
  558   1HB   MET  69          HB2       MET  69  -1.067 -14.434  -7.496
  559   2HB   MET  69          HB3       MET  69  -2.772 -14.831  -7.644
  560   1HG   MET  69          HG2       MET  69  -1.216 -13.945  -5.216
  561   2HG   MET  69          HG3       MET  69  -2.575 -13.137  -6.007
  562   1HE   MET  69          HE1       MET  69  -4.710 -15.349  -6.400
  563   2HE   MET  69          HE2       MET  69  -5.624 -15.229  -4.890
  564   3HE   MET  69          HE3       MET  69  -5.077 -13.748  -5.701
  565    HA   PRO  70           HA       PRO  70  -4.097 -19.890  -6.437
  566   1HB   PRO  70          HB2       PRO  70  -4.740 -18.997  -3.609
  567   2HB   PRO  70          HB3       PRO  70  -4.641 -20.644  -4.277
  568   1HG   PRO  70          HG2       PRO  70  -2.567 -19.623  -2.904
  569   2HG   PRO  70          HG3       PRO  70  -2.235 -20.473  -4.450
  570   1HD   PRO  70          HD2       PRO  70  -2.490 -17.479  -3.962
  571   2HD   PRO  70          HD3       PRO  70  -1.228 -18.373  -4.874
  572    H    ARG  71           H        ARG  71  -5.777 -19.408  -7.758
  573    HA   ARG  71           HA       ARG  71  -7.839 -17.452  -6.856
  574   1HB   ARG  71          HB2       ARG  71  -7.367 -18.852  -9.496
  575   2HB   ARG  71          HB3       ARG  71  -8.758 -17.809  -9.136
  576   1HG   ARG  71          HG2       ARG  71  -7.172 -15.960  -8.493
  577   2HG   ARG  71          HG3       ARG  71  -5.824 -16.994  -8.989
  578   1HD   ARG  71          HD2       ARG  71  -6.290 -15.464 -10.714
  579   2HD   ARG  71          HD3       ARG  71  -6.720 -17.086 -11.272
  580    HE   ARG  71           HE       ARG  71  -8.567 -14.859 -10.567
  581   1HH1  ARG  71          HH21      ARG  71  -8.259 -18.192 -11.877
  582   2HH1  ARG  71          HH22      ARG  71  -9.852 -18.185 -12.535
  583   1HH2  ARG  71          HH11      ARG  71 -10.665 -14.909 -11.464
  584   2HH2  ARG  71          HH12      ARG  71 -11.240 -16.304 -12.290
  585    H    SER  72           H        SER  72  -7.502 -20.957  -7.353
  586    HA   SER  72           HA       SER  72 -10.215 -21.487  -6.343
  587   1HB   SER  72          HB2       SER  72  -9.254 -22.439  -9.083
  588   2HB   SER  72          HB3       SER  72 -10.833 -22.742  -8.346
  589    HG   SER  72           HG       SER  72 -10.922 -21.079  -9.904
  590    H    GLU  73           H        GLU  73 -10.463 -23.941  -6.085
  591    HA   GLU  73           HA       GLU  73  -8.191 -25.272  -5.074
  592   1HB   GLU  73          HB2       GLU  73 -10.651 -26.566  -6.333
  593   2HB   GLU  73          HB3       GLU  73  -9.497 -27.306  -5.230
  594   1HG   GLU  73          HG2       GLU  73 -11.074 -26.818  -3.696
  595   2HG   GLU  73          HG3       GLU  73 -10.230 -25.278  -3.628
  596    H    ASP  74           H        ASP  74  -9.601 -25.234  -8.346
  597    HA   ASP  74           HA       ASP  74  -7.672 -27.032  -9.510
  598   1HB   ASP  74          HB2       ASP  74 -10.046 -26.696 -10.281
  599   2HB   ASP  74          HB3       ASP  74  -9.603 -25.080 -10.833
  600    H    ASP  75           H        ASP  75  -6.920 -24.279  -8.225
  601    HA   ASP  75           HA       ASP  75  -5.051 -23.369 -10.386
  602   1HB   ASP  75          HB2       ASP  75  -6.893 -21.754  -9.649
  603   2HB   ASP  75          HB3       ASP  75  -6.056 -21.690  -8.085
  604    H    LEU  76           H        LEU  76  -5.360 -24.945  -7.357
  605    HA   LEU  76           HA       LEU  76  -2.930 -23.961  -6.087
  606   1HB   LEU  76          HB2       LEU  76  -4.544 -26.491  -5.526
  607   2HB   LEU  76          HB3       LEU  76  -3.371 -25.736  -4.453
  608    HG   LEU  76           HG       LEU  76  -6.051 -24.575  -5.287
  609   1HD1  LEU  76          HD11      LEU  76  -5.106 -25.678  -2.608
  610   2HD1  LEU  76          HD12      LEU  76  -6.695 -24.952  -2.940
  611   3HD1  LEU  76          HD13      LEU  76  -6.236 -26.472  -3.727
  612   1HD2  LEU  76          HD21      LEU  76  -4.461 -22.771  -4.922
  613   2HD2  LEU  76          HD22      LEU  76  -5.611 -22.828  -3.580
  614   3HD2  LEU  76          HD23      LEU  76  -3.963 -23.465  -3.359
  615    H    ASP  77           H        ASP  77  -3.750 -26.427  -8.359
  616    HA   ASP  77           HA       ASP  77  -2.305 -28.576  -7.817
  617   1HB   ASP  77          HB2       ASP  77  -3.932 -28.255  -9.631
  618   2HB   ASP  77          HB3       ASP  77  -2.677 -27.508 -10.618
  619    HA   PRO  78           HA       PRO  78   1.841 -26.747  -7.907
  620   1HB   PRO  78          HB2       PRO  78   3.253 -28.875  -6.881
  621   2HB   PRO  78          HB3       PRO  78   2.292 -27.729  -5.900
  622   1HG   PRO  78          HG2       PRO  78   1.482 -30.467  -6.897
  623   2HG   PRO  78          HG3       PRO  78   1.254 -29.767  -5.263
  624   1HD   PRO  78          HD2       PRO  78  -0.737 -29.797  -7.133
  625   2HD   PRO  78          HD3       PRO  78  -0.565 -28.427  -6.002
  626    H    GLY  79           H        GLY  79   0.819 -29.753  -9.454
  627   1HA   GLY  79          HA2       GLY  79   3.220 -30.133 -11.063
  628   2HA   GLY  79          HA3       GLY  79   1.639 -30.934 -11.230
  629    H    LYS  80           H        LYS  80  -0.138 -28.709 -11.476
  630    HA   LYS  80           HA       LYS  80   0.513 -28.121 -14.222
  631   1HB   LYS  80          HB2       LYS  80  -1.870 -28.426 -12.998
  632   2HB   LYS  80          HB3       LYS  80  -1.761 -26.661 -13.013
  633   1HG   LYS  80          HG2       LYS  80  -1.002 -27.042 -15.557
  634   2HG   LYS  80          HG3       LYS  80  -1.694 -28.643 -15.315
  635   1HD   LYS  80          HD2       LYS  80  -3.562 -27.556 -16.140
  636   2HD   LYS  80          HD3       LYS  80  -3.787 -27.267 -14.409
  637   1HE   LYS  80          HE2       LYS  80  -4.106 -25.143 -15.253
  638   2HE   LYS  80          HE3       LYS  80  -2.380 -25.112 -14.817
  639   1HZ   LYS  80          HZ1       LYS  80  -2.973 -24.190 -17.057
  640   2HZ   LYS  80          HZ2       LYS  80  -1.787 -25.296 -17.072
  641   3HZ   LYS  80          HZ3       LYS  80  -3.312 -25.702 -17.569
  642    H    ILE  81           H        ILE  81   0.906 -26.202 -11.219
  643    HA   ILE  81           HA       ILE  81   1.350 -23.716 -12.604
  644    HB   ILE  81           HB       ILE  81   2.496 -24.787 -10.002
  645   1HG1  ILE  81          HG12      ILE  81   0.322 -22.685 -10.235
  646   2HG1  ILE  81          HG13      ILE  81  -0.126 -24.370 -10.360
  647   1HG2  ILE  81          HG21      ILE  81   3.895 -22.924 -10.840
  648   2HG2  ILE  81          HG22      ILE  81   2.452 -21.920 -11.069
  649   3HG2  ILE  81          HG23      ILE  81   2.966 -22.396  -9.440
  650   1HD1  ILE  81          HD11      ILE  81  -0.350 -23.675  -8.060
  651   2HD1  ILE  81          HD12      ILE  81   0.943 -24.880  -8.244
  652   3HD1  ILE  81          HD13      ILE  81   1.355 -23.164  -8.004
  653    H    LYS  82           H        LYS  82   3.610 -26.260 -11.455
  654    HA   LYS  82           HA       LYS  82   5.968 -25.354 -12.684
  655   1HB   LYS  82          HB2       LYS  82   6.139 -27.139 -11.144
  656   2HB   LYS  82          HB3       LYS  82   4.862 -28.064 -11.917
  657   1HG   LYS  82          HG2       LYS  82   6.922 -29.188 -12.282
  658   2HG   LYS  82          HG3       LYS  82   6.302 -28.597 -13.819
  659   1HD   LYS  82          HD2       LYS  82   7.951 -26.680 -13.699
  660   2HD   LYS  82          HD3       LYS  82   8.533 -27.335 -12.165
  661   1HE   LYS  82          HE2       LYS  82  10.048 -28.085 -13.858
  662   2HE   LYS  82          HE3       LYS  82   9.110 -29.484 -13.333
  663   1HZ   LYS  82          HZ1       LYS  82   9.322 -29.397 -15.732
  664   2HZ   LYS  82          HZ2       LYS  82   7.741 -29.236 -15.360
  665   3HZ   LYS  82          HZ3       LYS  82   8.627 -27.926 -15.807
  666    H    GLU  83           H        GLU  83   3.456 -27.543 -14.111
  667    HA   GLU  83           HA       GLU  83   5.058 -27.775 -16.483
  668   1HB   GLU  83          HB2       GLU  83   2.234 -28.673 -15.836
  669   2HB   GLU  83          HB3       GLU  83   3.002 -28.977 -17.397
  670   1HG   GLU  83          HG2       GLU  83   4.114 -29.917 -14.713
  671   2HG   GLU  83          HG3       GLU  83   3.195 -30.903 -15.838
  672    H    THR  84           H        THR  84   2.092 -25.775 -15.792
  673    HA   THR  84           HA       THR  84   1.987 -24.740 -18.439
  674    HB   THR  84           HB       THR  84   1.230 -23.248 -15.896
  675    HG1  THR  84           HG1      THR  84   0.236 -25.144 -15.722
  676   1HG2  THR  84          HG21      THR  84  -0.562 -22.298 -17.306
  677   2HG2  THR  84          HG22      THR  84   1.038 -21.913 -17.959
  678   3HG2  THR  84          HG23      THR  84   0.063 -23.195 -18.713
  679    H    ALA  85           H        ALA  85   3.921 -23.744 -15.598
  680    HA   ALA  85           HA       ALA  85   5.096 -21.455 -16.802
  681   1HB   ALA  85          HB1       ALA  85   5.397 -21.866 -14.411
  682   2HB   ALA  85          HB2       ALA  85   6.281 -23.374 -14.750
  683   3HB   ALA  85          HB3       ALA  85   6.979 -21.821 -15.215
  684    H    ALA  86           H        ALA  86   5.853 -24.933 -17.198
  685    HA   ALA  86           HA       ALA  86   8.306 -24.393 -18.683
  686   1HB   ALA  86          HB1       ALA  86   6.602 -26.925 -18.540
  687   2HB   ALA  86          HB2       ALA  86   8.244 -26.786 -19.194
  688   3HB   ALA  86          HB3       ALA  86   7.960 -26.522 -17.461
  689    H    GLU  87           H        GLU  87   4.848 -25.022 -19.410
  690    HA   GLU  87           HA       GLU  87   5.239 -25.329 -22.216
  691   1HB   GLU  87          HB2       GLU  87   2.809 -24.677 -20.513
  692   2HB   GLU  87          HB3       GLU  87   2.691 -24.791 -22.262
  693   1HG   GLU  87          HG2       GLU  87   3.752 -27.057 -20.522
  694   2HG   GLU  87          HG3       GLU  87   2.071 -26.887 -21.007
  695    H    HIS  88           H        HIS  88   4.818 -22.450 -20.222
  696    HA   HIS  88           HA       HIS  88   4.751 -20.749 -22.667
  697   1HB   HIS  88          HB2       HIS  88   3.875 -20.279 -19.809
  698   2HB   HIS  88          HB3       HIS  88   4.015 -18.984 -21.000
  699    HD1  HIS  88           HD1      HIS  88   2.092 -18.815 -22.832
  700    HD2  HIS  88           HD2      HIS  88   1.954 -22.224 -20.367
  701    HE1  HIS  88           HE1      HIS  88  -0.151 -19.934 -23.277
  702    H    ASP  89           H        ASP  89   7.119 -22.050 -20.865
  703    HA   ASP  89           HA       ASP  89   9.276 -21.623 -20.615
  704   1HB   ASP  89          HB2       ASP  89   9.100 -21.185 -23.071
  705   2HB   ASP  89          HB3       ASP  89   9.013 -19.454 -22.731
  706    H    ILE  90           H        ILE  90   7.772 -20.609 -18.698
  707    HA   ILE  90           HA       ILE  90   8.621 -17.882 -17.973
  708    HB   ILE  90           HB       ILE  90   6.943 -19.896 -16.409
  709   1HG1  ILE  90          HG12      ILE  90   5.945 -17.868 -18.452
  710   2HG1  ILE  90          HG13      ILE  90   5.801 -19.624 -18.529
  711   1HG2  ILE  90          HG21      ILE  90   7.909 -17.962 -15.163
  712   2HG2  ILE  90          HG22      ILE  90   7.055 -16.876 -16.299
  713   3HG2  ILE  90          HG23      ILE  90   6.144 -17.935 -15.206
  714   1HD1  ILE  90          HD11      ILE  90   4.426 -19.449 -16.333
  715   2HD1  ILE  90          HD12      ILE  90   4.284 -17.730 -16.748
  716   3HD1  ILE  90          HD13      ILE  90   3.674 -18.978 -17.860
  717    H    THR  91           H        THR  91  10.803 -17.913 -17.343
  718    HA   THR  91           HA       THR  91  11.769 -20.236 -15.735
  719    HB   THR  91           HB       THR  91  13.939 -19.796 -16.832
  720    HG1  THR  91           HG1      THR  91  13.867 -17.719 -17.428
  721   1HG2  THR  91          HG21      THR  91  11.704 -20.144 -18.875
  722   2HG2  THR  91          HG22      THR  91  13.395 -20.655 -19.029
  723   3HG2  THR  91          HG23      THR  91  12.343 -21.435 -17.834
  724    H    GLN  92           H        GLN  92  11.234 -16.843 -15.510
  725    HA   GLN  92           HA       GLN  92  13.431 -16.121 -13.835
  726   1HB   GLN  92          HB2       GLN  92  12.183 -14.196 -13.264
  727   2HB   GLN  92          HB3       GLN  92  11.941 -14.468 -14.975
  728   1HG   GLN  92          HG2       GLN  92   9.897 -15.283 -12.840
  729   2HG   GLN  92          HG3       GLN  92   9.949 -13.701 -13.556
  730   1HE2  GLN  92          HE22      GLN  92   7.614 -14.291 -14.156
  731   2HE2  GLN  92          HE21      GLN  92   7.431 -15.175 -15.624
  732    HA   PRO  93           HA       PRO  93  12.327 -18.032  -9.905
  733   1HB   PRO  93          HB2       PRO  93  12.621 -15.259  -8.753
  734   2HB   PRO  93          HB3       PRO  93  13.283 -16.814  -8.143
  735   1HG   PRO  93          HG2       PRO  93  14.882 -15.073  -9.474
  736   2HG   PRO  93          HG3       PRO  93  14.978 -16.829  -9.829
  737   1HD   PRO  93          HD2       PRO  93  13.522 -14.673 -11.374
  738   2HD   PRO  93          HD3       PRO  93  14.548 -16.009 -11.984
  739    H    ILE  94           H        ILE  94  10.415 -18.379  -8.790
  740    HA   ILE  94           HA       ILE  94   8.195 -16.441  -9.139
  741    HB   ILE  94           HB       ILE  94   8.223 -19.416  -9.746
  742   1HG1  ILE  94          HG12      ILE  94   8.420 -17.034 -11.452
  743   2HG1  ILE  94          HG13      ILE  94   8.776 -18.700 -11.801
  744   1HG2  ILE  94          HG21      ILE  94   6.203 -18.948  -8.494
  745   2HG2  ILE  94          HG22      ILE  94   5.832 -17.542  -9.510
  746   3HG2  ILE  94          HG23      ILE  94   5.770 -19.199 -10.165
  747   1HD1  ILE  94          HD11      ILE  94   7.095 -17.562 -13.217
  748   2HD1  ILE  94          HD12      ILE  94   6.591 -19.147 -12.571
  749   3HD1  ILE  94          HD13      ILE  94   5.964 -17.606 -11.901
  750    H    PHE  95           H        PHE  95   7.455 -15.908  -7.212
  751    HA   PHE  95           HA       PHE  95   7.791 -17.569  -4.790
  752   1HB   PHE  95          HB2       PHE  95   6.255 -15.006  -5.454
  753   2HB   PHE  95          HB3       PHE  95   6.273 -15.754  -3.867
  754    HD1  PHE  95           HD1      PHE  95   8.191 -13.655  -6.260
  755    HD2  PHE  95           HD2      PHE  95   8.302 -15.733  -2.462
  756    HE1  PHE  95           HE1      PHE  95  10.206 -12.391  -5.615
  757    HE2  PHE  95           HE2      PHE  95  10.310 -14.431  -1.828
  758    HZ   PHE  95           HZ       PHE  95  11.277 -12.775  -3.402
  759    H    VAL  96           H        VAL  96   5.965 -18.940  -4.006
  760    HA   VAL  96           HA       VAL  96   3.460 -18.610  -5.603
  761    HB   VAL  96           HB       VAL  96   4.385 -21.237  -4.432
  762   1HG1  VAL  96          HG11      VAL  96   1.966 -21.039  -4.640
  763   2HG1  VAL  96          HG12      VAL  96   2.085 -20.324  -6.228
  764   3HG1  VAL  96          HG13      VAL  96   2.514 -22.015  -6.026
  765   1HG2  VAL  96          HG21      VAL  96   4.789 -21.963  -6.773
  766   2HG2  VAL  96          HG22      VAL  96   4.558 -20.290  -7.326
  767   3HG2  VAL  96          HG23      VAL  96   5.924 -20.712  -6.267
  768    H    ASP  97           H        ASP  97   1.827 -17.974  -4.514
  769    HA   ASP  97           HA       ASP  97   2.126 -17.440  -1.636
  770   1HB   ASP  97          HB2       ASP  97   1.250 -15.779  -3.400
  771   2HB   ASP  97          HB3       ASP  97  -0.238 -16.718  -3.399
  772    H    SER  98           H        SER  98   0.487 -18.273  -0.093
  773    HA   SER  98           HA       SER  98  -0.574 -20.935  -0.870
  774   1HB   SER  98          HB2       SER  98  -0.880 -21.075   1.661
  775   2HB   SER  98          HB3       SER  98   0.782 -21.061   1.050
  776    HG   SER  98           HG       SER  98   0.386 -19.627   2.854
  777    H    ASP  99           H        ASP  99  -1.525 -17.680   0.102
  778    HA   ASP  99           HA       ASP  99  -4.092 -17.701  -0.921
  779   1HB   ASP  99          HB2       ASP  99  -4.955 -19.233   0.713
  780   2HB   ASP  99          HB3       ASP  99  -4.125 -18.401   2.034
  781    H    HIS 100           H        HIS 100  -3.138 -15.768  -1.550
  782    HA   HIS 100           HA       HIS 100  -2.853 -13.570  -1.581
  783   1HB   HIS 100          HB2       HIS 100  -4.905 -13.778   0.658
  784   2HB   HIS 100          HB3       HIS 100  -4.488 -12.275  -0.141
  785    HD1  HIS 100           HD1      HIS 100  -6.699 -15.266  -0.696
  786    HD2  HIS 100           HD2      HIS 100  -4.802 -12.206  -2.862
  787    HE1  HIS 100           HE1      HIS 100  -8.088 -14.943  -2.822
  788    H    ALA 101           H        ALA 101  -1.035 -14.971   0.668
  789    HA   ALA 101           HA       ALA 101  -0.820 -13.135   2.822
  790   1HB   ALA 101          HB1       ALA 101   0.221 -15.385   2.827
  791   2HB   ALA 101          HB2       ALA 101   1.334 -14.892   1.531
  792   3HB   ALA 101          HB3       ALA 101   1.440 -14.129   3.131
  793    H    LEU 102           H        LEU 102   0.821 -13.127  -0.395
  794    HA   LEU 102           HA       LEU 102   2.457 -10.790   0.440
  795   1HB   LEU 102          HB2       LEU 102   3.171 -12.709  -1.163
  796   2HB   LEU 102          HB3       LEU 102   2.207 -11.898  -2.362
  797    HG   LEU 102           HG       LEU 102   4.736 -10.889  -0.940
  798   1HD1  LEU 102          HD11      LEU 102   4.100 -11.402  -3.875
  799   2HD1  LEU 102          HD12      LEU 102   5.666 -10.921  -3.217
  800   3HD1  LEU 102          HD13      LEU 102   4.995 -12.503  -2.812
  801   1HD2  LEU 102          HD21      LEU 102   3.550  -8.863  -1.114
  802   2HD2  LEU 102          HD22      LEU 102   4.667  -8.900  -2.475
  803   3HD2  LEU 102          HD23      LEU 102   2.959  -9.233  -2.740
  804    H    THR 103           H        THR 103  -0.587 -11.573  -1.185
  805    HA   THR 103           HA       THR 103  -0.947  -9.040  -2.480
  806    HB   THR 103           HB       THR 103  -2.929 -11.161  -1.576
  807    HG1  THR 103           HG1      THR 103  -1.825 -11.929  -3.273
  808   1HG2  THR 103          HG21      THR 103  -3.377  -8.622  -3.136
  809   2HG2  THR 103          HG22      THR 103  -4.457 -10.023  -3.289
  810   3HG2  THR 103          HG23      THR 103  -4.269  -9.211  -1.723
  811    H    ASP 104           H        ASP 104  -1.444 -10.222   0.871
  812    HA   ASP 104           HA       ASP 104  -2.976  -7.805   1.571
  813   1HB   ASP 104          HB2       ASP 104  -3.539  -9.962   2.595
  814   2HB   ASP 104          HB3       ASP 104  -1.884 -10.194   3.147
  815    H    ALA 105           H        ALA 105   0.352  -8.845   1.473
  816    HA   ALA 105           HA       ALA 105   1.276  -7.104   3.597
  817   1HB   ALA 105          HB1       ALA 105   2.838  -8.562   1.407
  818   2HB   ALA 105          HB2       ALA 105   3.516  -7.842   2.880
  819   3HB   ALA 105          HB3       ALA 105   2.438  -9.245   3.002
  820    H    PHE 106           H        PHE 106   0.747  -6.827   0.140
  821    HA   PHE 106           HA       PHE 106   1.585  -3.996   0.350
  822   1HB   PHE 106          HB2       PHE 106   3.000  -4.010  -1.350
  823   2HB   PHE 106          HB3       PHE 106   3.382  -5.467  -0.528
  824    HD1  PHE 106           HD1      PHE 106   0.772  -6.878  -2.155
  825    HD2  PHE 106           HD2      PHE 106   4.499  -4.918  -3.077
  826    HE1  PHE 106           HE1      PHE 106   0.873  -8.019  -4.352
  827    HE2  PHE 106           HE2      PHE 106   4.497  -5.928  -5.317
  828    HZ   PHE 106           HZ       PHE 106   2.637  -7.425  -5.993
  829    H    GLU 107           H        GLU 107  -0.970  -5.524   0.328
  830    HA   GLU 107           HA       GLU 107  -3.069  -5.450  -0.451
  831   1HB   GLU 107          HB2       GLU 107  -2.239  -2.559  -0.309
  832   2HB   GLU 107          HB3       GLU 107  -3.932  -3.102  -0.440
  833   1HG   GLU 107          HG2       GLU 107  -3.652  -4.419   1.648
  834   2HG   GLU 107          HG3       GLU 107  -2.000  -3.815   1.808
  835    H    ASN 108           H        ASN 108  -1.784  -6.374  -2.531
  836    HA   ASN 108           HA       ASN 108  -1.946  -4.985  -4.983
  837   1HB   ASN 108          HB2       ASN 108  -0.666  -6.781  -5.299
  838   2HB   ASN 108          HB3       ASN 108  -1.458  -7.736  -4.065
  839   1HD2  ASN 108          HD22      ASN 108  -2.266  -9.676  -4.912
  840   2HD2  ASN 108          HD21      ASN 108  -3.115  -9.718  -6.438
  841    H    GLU 109           H        GLU 109  -4.344  -7.276  -3.608
  842    HA   GLU 109           HA       GLU 109  -6.492  -7.633  -3.923
  843   1HB   GLU 109          HB2       GLU 109  -6.605  -4.687  -4.672
  844   2HB   GLU 109          HB3       GLU 109  -7.975  -5.674  -4.192
  845   1HG   GLU 109          HG2       GLU 109  -5.590  -5.028  -2.405
  846   2HG   GLU 109          HG3       GLU 109  -7.154  -4.241  -2.368
  847    H    TYR 110           H        TYR 110  -4.694  -7.454  -6.642
  848    HA   TYR 110           HA       TYR 110  -7.010  -8.426  -8.284
  849   1HB   TYR 110          HB2       TYR 110  -4.570  -6.879  -9.216
  850   2HB   TYR 110          HB3       TYR 110  -5.783  -7.579 -10.279
  851    HD1  TYR 110           HD1      TYR 110  -8.145  -6.661 -10.288
  852    HD2  TYR 110           HD2      TYR 110  -4.904  -4.776  -8.171
  853    HE1  TYR 110           HE1      TYR 110  -9.443  -4.556 -10.202
  854    HE2  TYR 110           HE2      TYR 110  -6.188  -2.649  -8.075
  855    HH   TYR 110           HH       TYR 110  -9.483  -2.335  -9.495
  856    H    VAL 111           H        VAL 111  -5.549  -9.619 -10.378
  857    HA   VAL 111           HA       VAL 111  -3.363 -11.094  -9.081
  858    HB   VAL 111           HB       VAL 111  -5.434 -12.611 -10.687
  859   1HG1  VAL 111          HG11      VAL 111  -2.725 -13.316  -9.459
  860   2HG1  VAL 111          HG12      VAL 111  -3.905 -14.542 -10.011
  861   3HG1  VAL 111          HG13      VAL 111  -3.172 -13.402 -11.154
  862   1HG2  VAL 111          HG21      VAL 111  -5.732 -13.867  -8.556
  863   2HG2  VAL 111          HG22      VAL 111  -4.667 -12.693  -7.745
  864   3HG2  VAL 111          HG23      VAL 111  -6.227 -12.172  -8.414
  865    HA   PRO 112           HA       PRO 112  -2.079 -10.720 -13.578
  866   1HB   PRO 112          HB2       PRO 112  -3.641  -9.427 -15.440
  867   2HB   PRO 112          HB3       PRO 112  -3.647 -11.194 -15.169
  868   1HG   PRO 112          HG2       PRO 112  -5.559  -9.135 -14.001
  869   2HG   PRO 112          HG3       PRO 112  -5.969 -10.681 -14.812
  870   1HD   PRO 112          HD2       PRO 112  -5.884 -10.536 -12.111
  871   2HD   PRO 112          HD3       PRO 112  -5.215 -11.959 -12.973
  872    H    ALA 113           H        ALA 113  -1.039  -9.413 -11.981
  873    HA   ALA 113           HA       ALA 113  -1.436  -6.450 -12.276
  874   1HB   ALA 113          HB1       ALA 113  -2.757  -7.353 -10.370
  875   2HB   ALA 113          HB2       ALA 113  -1.289  -8.053  -9.680
  876   3HB   ALA 113          HB3       ALA 113  -1.448  -6.281  -9.830
  877    H    TYR 114           H        TYR 114   0.433  -5.158 -11.744
  878    HA   TYR 114           HA       TYR 114   2.968  -6.669 -11.465
  879   1HB   TYR 114          HB2       TYR 114   3.332  -4.877 -13.621
  880   2HB   TYR 114          HB3       TYR 114   3.407  -6.625 -13.639
  881    HD1  TYR 114           HD1      TYR 114   1.347  -3.692 -14.447
  882    HD2  TYR 114           HD2      TYR 114   1.451  -7.994 -14.365
  883    HE1  TYR 114           HE1      TYR 114  -0.814  -3.775 -15.710
  884    HE2  TYR 114           HE2      TYR 114  -0.706  -8.082 -15.565
  885    HH   TYR 114           HH       TYR 114  -2.467  -6.857 -16.429
  886    H    TYR 115           H        TYR 115   4.659  -5.513 -10.730
  887    HA   TYR 115           HA       TYR 115   4.175  -2.744  -9.750
  888   1HB   TYR 115          HB2       TYR 115   5.114  -5.170  -8.144
  889   2HB   TYR 115          HB3       TYR 115   4.937  -3.531  -7.536
  890    HD1  TYR 115           HD1      TYR 115   3.052  -6.503  -8.824
  891    HD2  TYR 115           HD2      TYR 115   2.820  -2.761  -6.688
  892    HE1  TYR 115           HE1      TYR 115   0.634  -6.881  -8.440
  893    HE2  TYR 115           HE2      TYR 115   0.402  -3.184  -6.241
  894    HH   TYR 115           HH       TYR 115  -1.385  -5.930  -7.627
  895    H    VAL 116           H        VAL 116   5.929  -1.505 -10.222
  896    HA   VAL 116           HA       VAL 116   8.436  -2.872 -11.063
  897    HB   VAL 116           HB       VAL 116   7.424  -0.236 -12.174
  898   1HG1  VAL 116          HG11      VAL 116   9.787  -0.911 -12.577
  899   2HG1  VAL 116          HG12      VAL 116   9.222  -2.418 -13.330
  900   3HG1  VAL 116          HG13      VAL 116   8.851  -0.846 -14.076
  901   1HG2  VAL 116          HG21      VAL 116   5.564  -1.688 -12.698
  902   2HG2  VAL 116          HG22      VAL 116   6.528  -1.478 -14.159
  903   3HG2  VAL 116          HG23      VAL 116   6.657  -2.983 -13.224
  904    H    PHE 117           H        PHE 117  10.220  -2.218 -10.003
  905    HA   PHE 117           HA       PHE 117  10.052   0.101  -8.147
  906   1HB   PHE 117          HB2       PHE 117  11.437  -2.585  -7.768
  907   2HB   PHE 117          HB3       PHE 117  11.518  -1.235  -6.658
  908    HD1  PHE 117           HD1      PHE 117   9.032  -3.590  -8.250
  909    HD2  PHE 117           HD2      PHE 117  10.020  -1.208  -4.779
  910    HE1  PHE 117           HE1      PHE 117   7.141  -4.567  -7.023
  911    HE2  PHE 117           HE2      PHE 117   8.072  -2.105  -3.619
  912    HZ   PHE 117           HZ       PHE 117   6.611  -3.807  -4.712
  913    H    ASP 118           H        ASP 118  11.885   1.332  -7.988
  914    HA   ASP 118           HA       ASP 118  13.688   1.481 -10.252
  915   1HB   ASP 118          HB2       ASP 118  12.921   3.427  -8.920
  916   2HB   ASP 118          HB3       ASP 118  13.755   2.760  -7.508
  917    H    LYS 119           H        LYS 119  16.129   1.603  -9.698
  918    HA   LYS 119           HA       LYS 119  17.007  -1.077  -8.945
  919   1HB   LYS 119          HB2       LYS 119  19.287  -0.110  -9.235
  920   2HB   LYS 119          HB3       LYS 119  18.261  -0.052 -10.668
  921   1HG   LYS 119          HG2       LYS 119  18.116   2.231 -10.693
  922   2HG   LYS 119          HG3       LYS 119  18.304   2.406  -8.951
  923   1HD   LYS 119          HD2       LYS 119  20.658   1.526 -10.676
  924   2HD   LYS 119          HD3       LYS 119  20.211   3.228 -10.438
  925   1HE   LYS 119          HE2       LYS 119  20.250   2.866  -7.944
  926   2HE   LYS 119          HE3       LYS 119  20.866   1.235  -8.218
  927   1HZ   LYS 119          HZ1       LYS 119  22.234   3.746  -9.001
  928   2HZ   LYS 119          HZ2       LYS 119  22.650   2.767  -7.762
  929   3HZ   LYS 119          HZ3       LYS 119  22.815   2.236  -9.298
  930    H    THR 120           H        THR 120  16.551   1.923  -7.179
  931    HA   THR 120           HA       THR 120  18.230   1.095  -4.971
  932    HB   THR 120           HB       THR 120  17.719   3.432  -5.779
  933    HG1  THR 120           HG1      THR 120  18.006   4.230  -3.770
  934   1HG2  THR 120          HG21      THR 120  15.250   3.081  -4.059
  935   2HG2  THR 120          HG22      THR 120  15.750   4.543  -4.947
  936   3HG2  THR 120          HG23      THR 120  15.226   3.095  -5.829
  937    H    GLY 121           H        GLY 121  15.098   0.070  -6.006
  938   1HA   GLY 121          HA2       GLY 121  14.041  -1.742  -5.061
  939   2HA   GLY 121          HA3       GLY 121  14.784  -1.428  -3.492
  940    H    GLN 122           H        GLN 122  13.187   1.279  -5.078
  941    HA   GLN 122           HA       GLN 122  10.906   1.029  -3.168
  942   1HB   GLN 122          HB2       GLN 122  12.087   3.542  -4.437
  943   2HB   GLN 122          HB3       GLN 122  10.703   3.479  -3.354
  944   1HG   GLN 122          HG2       GLN 122  13.601   2.876  -2.664
  945   2HG   GLN 122          HG3       GLN 122  12.635   4.246  -2.129
  946   1HE2  GLN 122          HE22      GLN 122  10.293   3.183  -1.120
  947   2HE2  GLN 122          HE21      GLN 122  10.683   2.051   0.157
  948    H    LEU 123           H        LEU 123   8.864   1.293  -4.008
  949    HA   LEU 123           HA       LEU 123   8.471   0.417  -6.647
  950   1HB   LEU 123          HB2       LEU 123   6.900   0.069  -4.689
  951   2HB   LEU 123          HB3       LEU 123   6.487   1.782  -4.766
  952    HG   LEU 123           HG       LEU 123   5.717   1.410  -7.136
  953   1HD1  LEU 123          HD11      LEU 123   5.768  -1.549  -6.372
  954   2HD1  LEU 123          HD12      LEU 123   5.267  -0.859  -7.928
  955   3HD1  LEU 123          HD13      LEU 123   6.968  -0.855  -7.449
  956   1HD2  LEU 123          HD21      LEU 123   3.926   1.604  -5.765
  957   2HD2  LEU 123          HD22      LEU 123   3.641  -0.018  -6.365
  958   3HD2  LEU 123          HD23      LEU 123   4.372   0.240  -4.757
  959    H    ARG 124           H        ARG 124   8.087   1.477  -8.537
  960    HA   ARG 124           HA       ARG 124   8.183   4.460  -8.485
  961   1HB   ARG 124          HB2       ARG 124  10.062   2.795  -9.536
  962   2HB   ARG 124          HB3       ARG 124   8.990   2.889 -10.923
  963   1HG   ARG 124          HG2       ARG 124  10.413   5.170  -9.489
  964   2HG   ARG 124          HG3       ARG 124  10.767   4.526 -11.092
  965   1HD   ARG 124          HD2       ARG 124   8.464   5.332 -11.829
  966   2HD   ARG 124          HD3       ARG 124   8.309   6.112 -10.252
  967    HE   ARG 124           HE       ARG 124   9.960   7.658 -10.759
  968   1HH1  ARG 124          HH11      ARG 124   9.415   5.507 -13.545
  969   2HH1  ARG 124          HH12      ARG 124  10.304   6.515 -14.655
  970   1HH2  ARG 124          HH21      ARG 124  11.088   8.985 -12.262
  971   2HH2  ARG 124          HH22      ARG 124  11.238   8.497 -13.926
  972    H    HIS 125           H        HIS 125   6.613   1.550  -9.998
  973    HA   HIS 125           HA       HIS 125   4.268   3.193 -10.620
  974   1HB   HIS 125          HB2       HIS 125   5.923   3.404 -12.564
  975   2HB   HIS 125          HB3       HIS 125   5.758   1.665 -12.799
  976    HD1  HIS 125           HD1      HIS 125   3.731   4.935 -13.146
  977    HD2  HIS 125           HD2      HIS 125   3.531   0.815 -13.960
  978    HE1  HIS 125           HE1      HIS 125   1.721   4.614 -14.673
  979    H    PHE 126           H        PHE 126   2.385   1.751 -10.978
  980    HA   PHE 126           HA       PHE 126   2.814  -1.100 -11.077
  981   1HB   PHE 126          HB2       PHE 126   2.374  -1.701  -8.990
  982   2HB   PHE 126          HB3       PHE 126   2.564  -0.044  -8.485
  983    HD1  PHE 126           HD1      PHE 126   0.111  -2.679  -9.441
  984    HD2  PHE 126           HD2      PHE 126   0.637   1.241  -7.714
  985    HE1  PHE 126           HE1      PHE 126  -2.247  -2.700  -8.686
  986    HE2  PHE 126           HE2      PHE 126  -1.719   1.210  -6.941
  987    HZ   PHE 126           HZ       PHE 126  -3.171  -0.754  -7.430
  988    H    GLN 127           H        GLN 127   0.868  -2.185 -11.765
  989    HA   GLN 127           HA       GLN 127  -1.551  -0.632 -12.335
  990   1HB   GLN 127          HB2       GLN 127   0.005  -1.993 -14.550
  991   2HB   GLN 127          HB3       GLN 127  -1.558  -1.227 -14.732
  992   1HG   GLN 127          HG2       GLN 127   0.962   0.322 -14.004
  993   2HG   GLN 127          HG3       GLN 127   0.539  -0.043 -15.648
  994   1HE2  GLN 127          HE22      GLN 127  -0.745   1.639 -12.737
  995   2HE2  GLN 127          HE21      GLN 127  -1.741   2.772 -13.642
  996    H    ALA 128           H        ALA 128  -3.132  -2.236 -13.522
  997    HA   ALA 128           HA       ALA 128  -2.515  -5.047 -13.400
  998   1HB   ALA 128          HB1       ALA 128  -4.691  -3.884 -11.602
  999   2HB   ALA 128          HB2       ALA 128  -4.377  -5.619 -11.864
 1000   3HB   ALA 128          HB3       ALA 128  -3.172  -4.605 -11.034
 1001    H    GLY 129           H        GLY 129  -4.180  -6.294 -14.435
 1002   1HA   GLY 129          HA2       GLY 129  -5.727  -6.751 -16.027
 1003   2HA   GLY 129          HA3       GLY 129  -6.700  -5.503 -15.243
 1004    H    GLY 130           H        GLY 130  -3.640  -4.857 -17.040
 1005   1HA   GLY 130          HA2       GLY 130  -4.946  -2.876 -18.720
 1006   2HA   GLY 130          HA3       GLY 130  -3.268  -3.417 -18.818
 1007    H    SER 131           H        SER 131  -4.871  -2.948 -21.125
 1008    HA   SER 131           HA       SER 131  -6.136  -5.179 -22.240
 1009   1HB   SER 131          HB2       SER 131  -4.573  -3.014 -23.703
 1010   2HB   SER 131          HB3       SER 131  -5.922  -3.980 -24.331
 1011    HG   SER 131           HG       SER 131  -6.584  -1.897 -23.629
 1012    H    GLY 132           H        GLY 132  -5.197  -7.166 -22.316
 1013   1HA   GLY 132          HA2       GLY 132  -3.657  -8.848 -22.503
 1014   2HA   GLY 132          HA3       GLY 132  -3.010  -7.974 -23.899
 1015    H    MET 133           H        MET 133  -3.075  -6.489 -20.743
 1016    HA   MET 133           HA       MET 133  -1.544  -5.194 -19.827
 1017   1HB   MET 133          HB2       MET 133  -0.010  -6.299 -18.410
 1018   2HB   MET 133          HB3       MET 133  -1.520  -7.213 -18.474
 1019   1HG   MET 133          HG2       MET 133  -0.542  -8.959 -19.760
 1020   2HG   MET 133          HG3       MET 133   0.883  -7.982 -20.125
 1021   1HE   MET 133          HE1       MET 133   3.346  -9.309 -17.802
 1022   2HE   MET 133          HE2       MET 133   2.660  -9.833 -19.354
 1023   3HE   MET 133          HE3       MET 133   2.960  -8.107 -19.058
 1024    H    LYS 134           H        LYS 134  -1.136  -5.228 -22.745
 1025    HA   LYS 134           HA       LYS 134   1.574  -5.635 -23.445
 1026   1HB   LYS 134          HB2       LYS 134  -0.234  -5.484 -25.073
 1027   2HB   LYS 134          HB3       LYS 134  -0.518  -3.794 -24.658
 1028   1HG   LYS 134          HG2       LYS 134   0.684  -4.017 -26.772
 1029   2HG   LYS 134          HG3       LYS 134   1.641  -3.137 -25.587
 1030   1HD   LYS 134          HD2       LYS 134   3.032  -5.152 -25.178
 1031   2HD   LYS 134          HD3       LYS 134   2.018  -6.082 -26.306
 1032   1HE   LYS 134          HE2       LYS 134   2.650  -4.558 -28.142
 1033   2HE   LYS 134          HE3       LYS 134   3.599  -3.568 -27.026
 1034   1HZ   LYS 134          HZ1       LYS 134   5.118  -5.396 -26.711
 1035   2HZ   LYS 134          HZ2       LYS 134   4.199  -6.401 -27.643
 1036   3HZ   LYS 134          HZ3       LYS 134   4.955  -5.120 -28.308
 1037    H    MET 135           H        MET 135  -0.012  -2.761 -22.132
 1038    HA   MET 135           HA       MET 135   2.145  -0.949 -22.419
 1039   1HB   MET 135          HB2       MET 135   0.973   0.129 -20.321
 1040   2HB   MET 135          HB3       MET 135   0.211   0.148 -21.898
 1041   1HG   MET 135          HG2       MET 135  -1.342  -0.363 -20.026
 1042   2HG   MET 135          HG3       MET 135  -1.349  -1.526 -21.335
 1043   1HE   MET 135          HE1       MET 135   1.157  -1.169 -18.266
 1044   2HE   MET 135          HE2       MET 135  -0.452  -0.858 -17.573
 1045   3HE   MET 135          HE3       MET 135   0.446  -2.332 -17.136
 1046    H    LEU 136           H        LEU 136   1.970  -3.689 -20.201
 1047    HA   LEU 136           HA       LEU 136   3.591  -2.552 -18.155
 1048   1HB   LEU 136          HB2       LEU 136   2.390  -4.689 -17.832
 1049   2HB   LEU 136          HB3       LEU 136   3.400  -5.456 -19.066
 1050    HG   LEU 136           HG       LEU 136   5.431  -5.078 -17.672
 1051   1HD1  LEU 136          HD11      LEU 136   3.463  -3.867 -15.689
 1052   2HD1  LEU 136          HD12      LEU 136   5.116  -4.383 -15.269
 1053   3HD1  LEU 136          HD13      LEU 136   4.869  -3.077 -16.418
 1054   1HD2  LEU 136          HD21      LEU 136   3.142  -6.538 -16.341
 1055   2HD2  LEU 136          HD22      LEU 136   4.350  -7.173 -17.462
 1056   3HD2  LEU 136          HD23      LEU 136   4.849  -6.675 -15.849
 1057    H    GLU 137           H        GLU 137   4.396  -4.266 -21.205
 1058    HA   GLU 137           HA       GLU 137   7.175  -4.394 -20.926
 1059   1HB   GLU 137          HB2       GLU 137   5.595  -5.264 -22.809
 1060   2HB   GLU 137          HB3       GLU 137   5.760  -3.642 -23.523
 1061   1HG   GLU 137          HG2       GLU 137   8.153  -3.949 -23.771
 1062   2HG   GLU 137          HG3       GLU 137   8.128  -5.421 -22.789
 1063    H    LYS 138           H        LYS 138   5.090  -1.642 -21.865
 1064    HA   LYS 138           HA       LYS 138   7.366   0.095 -22.446
 1065   1HB   LYS 138          HB2       LYS 138   4.379   0.559 -22.213
 1066   2HB   LYS 138          HB3       LYS 138   5.529   1.901 -22.343
 1067   1HG   LYS 138          HG2       LYS 138   6.463   1.048 -24.390
 1068   2HG   LYS 138          HG3       LYS 138   5.535  -0.469 -24.267
 1069   1HD   LYS 138          HD2       LYS 138   4.514   0.933 -25.930
 1070   2HD   LYS 138          HD3       LYS 138   3.426   0.815 -24.537
 1071   1HE   LYS 138          HE2       LYS 138   4.181   3.053 -23.757
 1072   2HE   LYS 138          HE3       LYS 138   5.319   3.147 -25.106
 1073   1HZ   LYS 138          HZ1       LYS 138   2.370   3.035 -25.379
 1074   2HZ   LYS 138          HZ2       LYS 138   3.292   4.363 -25.575
 1075   3HZ   LYS 138          HZ3       LYS 138   3.428   3.126 -26.623
 1076    H    ARG 139           H        ARG 139   5.213  -0.367 -19.566
 1077    HA   ARG 139           HA       ARG 139   6.313   1.919 -18.209
 1078   1HB   ARG 139          HB2       ARG 139   5.356  -0.651 -16.851
 1079   2HB   ARG 139          HB3       ARG 139   5.502   0.940 -16.127
 1080   1HG   ARG 139          HG2       ARG 139   3.411  -0.010 -18.103
 1081   2HG   ARG 139          HG3       ARG 139   3.204   0.446 -16.433
 1082   1HD   ARG 139          HD2       ARG 139   3.980   2.805 -17.129
 1083   2HD   ARG 139          HD3       ARG 139   3.782   2.254 -18.802
 1084    HE   ARG 139           HE       ARG 139   1.672   2.327 -16.670
 1085   1HH1  ARG 139          HH21      ARG 139   2.500   2.838 -20.085
 1086   2HH1  ARG 139          HH22      ARG 139   0.875   3.125 -20.586
 1087   1HH2  ARG 139          HH11      ARG 139  -0.516   2.510 -17.365
 1088   2HH2  ARG 139          HH12      ARG 139  -0.870   2.985 -18.989
 1089    H    VAL 140           H        VAL 140   7.295  -1.505 -18.309
 1090    HA   VAL 140           HA       VAL 140   9.437  -1.344 -16.404
 1091    HB   VAL 140           HB       VAL 140   8.931  -3.110 -18.842
 1092   1HG1  VAL 140          HG11      VAL 140  10.906  -3.568 -16.577
 1093   2HG1  VAL 140          HG12      VAL 140  10.457  -4.740 -17.842
 1094   3HG1  VAL 140          HG13      VAL 140  11.303  -3.256 -18.284
 1095   1HG2  VAL 140          HG21      VAL 140   8.042  -4.751 -17.279
 1096   2HG2  VAL 140          HG22      VAL 140   8.564  -3.787 -15.870
 1097   3HG2  VAL 140          HG23      VAL 140   7.233  -3.238 -16.881
 1098    H    ASN 141           H        ASN 141   9.204  -1.061 -20.025
 1099    HA   ASN 141           HA       ASN 141  11.962  -0.713 -20.225
 1100   1HB   ASN 141          HB2       ASN 141   9.694  -0.221 -22.146
 1101   2HB   ASN 141          HB3       ASN 141  11.206   0.597 -22.493
 1102   1HD2  ASN 141          HD22      ASN 141   9.757  -2.617 -22.098
 1103   2HD2  ASN 141          HD21      ASN 141  11.071  -3.466 -22.923
 1104    H    ARG 142           H        ARG 142   9.441   1.695 -19.568
 1105    HA   ARG 142           HA       ARG 142  11.099   3.972 -20.090
 1106   1HB   ARG 142          HB2       ARG 142   8.684   3.618 -18.291
 1107   2HB   ARG 142          HB3       ARG 142   9.463   5.155 -18.597
 1108   1HG   ARG 142          HG2       ARG 142   7.368   3.977 -20.015
 1109   2HG   ARG 142          HG3       ARG 142   8.198   5.493 -20.347
 1110   1HD   ARG 142          HD2       ARG 142   8.973   2.841 -21.597
 1111   2HD   ARG 142          HD3       ARG 142   7.850   3.969 -22.308
 1112    HE   ARG 142           HE       ARG 142  10.016   5.565 -21.839
 1113   1HH1  ARG 142          HH21      ARG 142   9.560   2.542 -23.633
 1114   2HH1  ARG 142          HH22      ARG 142  10.916   2.783 -24.673
 1115   1HH2  ARG 142          HH11      ARG 142  11.816   5.902 -23.234
 1116   2HH2  ARG 142          HH12      ARG 142  12.213   4.748 -24.447
 1117    H    VAL 143           H        VAL 143  10.494   2.061 -17.097
 1118    HA   VAL 143           HA       VAL 143  12.275   3.616 -15.491
 1119    HB   VAL 143           HB       VAL 143  11.426   0.706 -15.283
 1120   1HG1  VAL 143          HG11      VAL 143  12.741   2.498 -13.195
 1121   2HG1  VAL 143          HG12      VAL 143  12.072   0.875 -12.897
 1122   3HG1  VAL 143          HG13      VAL 143  13.464   1.076 -13.970
 1123   1HG2  VAL 143          HG21      VAL 143   9.524   2.305 -15.121
 1124   2HG2  VAL 143          HG22      VAL 143   9.848   1.545 -13.565
 1125   3HG2  VAL 143          HG23      VAL 143  10.393   3.208 -13.866
 1126    H    LEU 144           H        LEU 144  12.870   0.928 -17.828
 1127    HA   LEU 144           HA       LEU 144  15.635   0.568 -17.003
 1128   1HB   LEU 144          HB2       LEU 144  14.353  -0.023 -19.716
 1129   2HB   LEU 144          HB3       LEU 144  15.951  -0.523 -19.196
 1130    HG   LEU 144           HG       LEU 144  13.296  -1.517 -18.124
 1131   1HD1  LEU 144          HD11      LEU 144  15.584  -2.934 -19.525
 1132   2HD1  LEU 144          HD12      LEU 144  14.042  -3.655 -19.002
 1133   3HD1  LEU 144          HD13      LEU 144  14.058  -2.424 -20.277
 1134   1HD2  LEU 144          HD21      LEU 144  14.676  -3.040 -16.683
 1135   2HD2  LEU 144          HD22      LEU 144  16.092  -2.034 -17.060
 1136   3HD2  LEU 144          HD23      LEU 144  14.688  -1.340 -16.203
 1137    H    ALA 145           H        ALA 145  13.994   2.468 -19.471
 1138    HA   ALA 145           HA       ALA 145  16.257   3.544 -20.762
 1139   1HB   ALA 145          HB1       ALA 145  13.419   4.655 -20.486
 1140   2HB   ALA 145          HB2       ALA 145  14.626   5.190 -21.677
 1141   3HB   ALA 145          HB3       ALA 145  13.986   3.532 -21.732
 1142    H    GLU 146           H        GLU 146  14.337   4.735 -17.984
 1143    HA   GLU 146           HA       GLU 146  15.769   7.224 -17.718
 1144   1HB   GLU 146          HB2       GLU 146  13.842   5.645 -15.977
 1145   2HB   GLU 146          HB3       GLU 146  14.569   7.167 -15.434
 1146   1HG   GLU 146          HG2       GLU 146  13.650   8.354 -17.384
 1147   2HG   GLU 146          HG3       GLU 146  12.916   6.871 -17.983
 1148    H    THR 147           H        THR 147  16.245   3.955 -16.368
 1149    HA   THR 147           HA       THR 147  18.101   4.763 -14.319
 1150    HB   THR 147           HB       THR 147  17.642   2.060 -15.660
 1151    HG1  THR 147           HG1      THR 147  15.787   2.751 -14.707
 1152   1HG2  THR 147          HG21      THR 147  19.709   1.903 -14.432
 1153   2HG2  THR 147          HG22      THR 147  19.041   2.818 -13.055
 1154   3HG2  THR 147          HG23      THR 147  18.462   1.183 -13.418
 1155    H    GLU 148           H        GLU 148  20.377   4.419 -14.304
 1156    HA   GLU 148           HA       GLU 148  22.374   5.198 -15.041
 1157   1HB   GLU 148          HB2       GLU 148  21.832   2.594 -16.453
 1158   2HB   GLU 148          HB3       GLU 148  23.431   3.372 -16.480
 1159   1HG   GLU 148          HG2       GLU 148  23.479   3.334 -13.999
 1160   2HG   GLU 148          HG3       GLU 148  21.945   2.465 -13.984