*HEADER    OXIDOREDUCTASE                          29-SEP-05   2B5X              
*TITLE     SOLUTION STRUCTURE OF A THIOREDOXIN-LIKE PROTEIN IN THE               
*TITLE    2 REDUCED 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 2B5X    0                                                

#
#   95 PHE  HB+          95 PHE  HN          4.00    (#      1:10  Unique         2.11, 2.67 A)
 &rst
  ixpk= 1, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=1516,1517,
 &end
#
#   95 PHE  HB-          95 PHE  HN          4.00    (#      2:10  Unique         2.11, 2.67 A)
 &rst
  ixpk= 2, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1516,1517,
 &end
#
#   66 ALA  MB           95 PHE  HN          5.00    (#      3:10  Unique         3.21, 4.72 A)
 &rst
  ixpk= 3, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1077,1078,1079,
 &end
#
#   94 ILE  HA           95 PHE  HN          3.00    (#      5:10  Unique         2.18, 2.19 A)
 &rst
  ixpk= 5, nxpk= 10, iat=1495,1512, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   67 VAL  HA           95 PHE  HN          4.00    (#      6:10  Unique         2.14, 2.85 A)
 &rst
  ixpk= 6, nxpk= 10, iat=1085,1512, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:7       95 PHE  HN          5.00    (#      7:10  Single Ambig)
 &rst
  ixpk= 7, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1063,1064,1065,1067,1068,1069,1063,1064,1065,1067,
      1068,1069,1506,1507,1508,
 &end
#
#   94 ILE  QG2          95 PHE  HN          4.00    (#      8:10  Unique         2.57, 3.74 A)
 &rst
  ixpk= 8, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1499,1500,1501,
 &end
#
#   95 PHE  HA           95 PHE  HN          4.00    (#      9:10  Unique         2.92, 2.93 A)
 &rst
  ixpk= 9, nxpk= 10, iat=1514,1512, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:10      96 VAL  HN          5.00    (#     10:10  Single Ambig)
 &rst
  ixpk= 10, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 240,1560,
 &end
#
#   16 TRP  HA           96 VAL  HN          5.00    (#     12:10  Unique         2.92, 3.63 A)
 &rst
  ixpk= 12, nxpk= 10, iat= 252,1532, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   96 VAL  HA           96 VAL  HN          4.00    (#     13:10  Unique         2.83, 2.91 A)
 &rst
  ixpk= 13, nxpk= 10, iat=1534,1532, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 PHE  HA           96 VAL  HN          3.00    (#     14:10  Unique         2.19, 2.24 A)
 &rst
  ixpk= 14, nxpk= 10, iat=1514,1532, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   96 VAL  HB           96 VAL  HN          4.00    (#     15:10  Unique         2.24, 3.01 A)
 &rst
  ixpk= 15, nxpk= 10, iat=1536,1532, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 PHE  HB-          96 VAL  HN          5.00    (#     16:10  Unique         2.74, 4.19 A)
 &rst
  ixpk= 16, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1516,1517,
 &end
#
#   96 VAL  MGX          96 VAL  HN          4.00    (#     17:10  Unique         1.95, 3.86 A)
 &rst
  ixpk= 17, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#   15 ALA  MB           96 VAL  HN          5.00    (#     18:10  Unique         4.28, 5.69 A)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 244, 245, 246,
 &end
#
#   96 VAL  MGY          96 VAL  HN          3.00    (#     19:10  Unique         1.95, 3.86 A)
 &rst
  ixpk= 19, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#    0 AMB  10-2:22      69 MET  HN          5.00    (#     22:10  Single Ambig)
 &rst
  ixpk= 22, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1103,1104,1123,1124,
 &end
#
#   69 MET  HB-          69 MET  HN          4.00    (#     23:10  Unique         2.15, 2.59 A)
 &rst
  ixpk= 23, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1120,1121,
 &end
#
#   37 TRP  HN           69 MET  HN          5.00    (#     24:10  Unique         3.35, 3.64 A)
 &rst
  ixpk= 24, nxpk= 10, iat= 600,1116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 TRP  HD1          69 MET  HN          5.00    (#     25:10  Unique         5.12, 6.09 A)
 &rst
  ixpk= 25, nxpk= 10, iat= 608,1116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 MET  HA           69 MET  HN          4.00    (#     26:10  Unique         2.87, 2.89 A)
 &rst
  ixpk= 26, nxpk= 10, iat=1118,1116, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 SER  HA           69 MET  HN          4.00    (#     27:10  Unique         2.73, 2.94 A)
 &rst
  ixpk= 27, nxpk= 10, iat= 626,1116, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 HIS  HA           69 MET  HN          3.00    (#     28:10  Unique         2.19, 2.19 A)
 &rst
  ixpk= 28, nxpk= 10, iat=1101,1116, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   68 HIS  HB+          69 MET  HN          5.00    (#     29:10  Unique         3.47, 4.23 A)
 &rst
  ixpk= 29, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1103,1104,
 &end
#
#   69 MET  HB+          69 MET  HN          3.00    (#     30:10  Unique         2.15, 2.59 A)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1120,1121,
 &end
#
#  111 VAL  MGX          69 MET  HN          5.00    (#     31:10  Unique         3.24, 5.10 A)
 &rst
  ixpk= 31, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#    0 AMB  10-2:37      33 LEU  HN          4.00    (#     37:10  Single Ambig)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1057,1027,
 &end
#
#   33 LEU  HA           33 LEU  HN          4.00    (#     38:10  Unique         2.90, 2.92 A)
 &rst
  ixpk= 38, nxpk= 10, iat= 527, 525, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 VAL  HA           33 LEU  HN          4.00    (#     39:10  Unique         2.57, 2.99 A)
 &rst
  ixpk= 39, nxpk= 10, iat=1043, 525, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 THR  HA           33 LEU  HN          3.00    (#     40:10  Unique         2.21, 2.31 A)
 &rst
  ixpk= 40, nxpk= 10, iat= 513, 525, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN  HB-          33 LEU  HN          5.00    (#     41:10  Unique         3.48, 4.20 A)
 &rst
  ixpk= 41, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1031,1032,
 &end
#
#   33 LEU  HB+          33 LEU  HN          4.00    (#     42:10  Unique         2.53, 3.00 A)
 &rst
  ixpk= 42, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 529, 530,
 &end
#
#    0 AMB  10-2:43      33 LEU  HN          5.00    (#     43:10  Single Ambig)
 &rst
  ixpk= 43, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 554, 555,1061,1012,1013,
 &end
#
#   62 LEU  HG           33 LEU  HN          5.00    (#     44:10  Unique         4.08, 4.83 A)
 &rst
  ixpk= 44, nxpk= 10, iat=1015, 525, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 LEU  HB-          33 LEU  HN          4.00    (#     45:10  Unique         2.53, 3.00 A)
 &rst
  ixpk= 45, 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    (#     46:10  Unique         1.96, 3.08 A)
 &rst
  ixpk= 46, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 517, 518, 519,
 &end
#
#   64 VAL  MGX          33 LEU  HN          4.00    (#     47:10  Unique         4.27, 5.67 A)
 &rst
  ixpk= 47, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  10-2:48      33 LEU  HN          5.00    (#     48:10  Single Ambig)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 557, 558, 559,1838,1839,1840,1842,1843,1844,
 &end
#
#    0 AMB  10-2:49      33 LEU  HN          3.00    (#     49:10  Single Ambig)
 &rst
  ixpk= 49, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 424, 425, 426, 428, 429, 430,1017,1018,1019,1021,
      1022,1023,
 &end
#
#    0 AMB  10-2:50      33 LEU  HN          4.00    (#     50:10  Single Ambig)
 &rst
  ixpk= 50, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 424, 425, 426, 428, 429, 430,1017,1018,1019,1021,
      1022,1023,
 &end
#
#   65 VAL  MGX          33 LEU  HN          4.00    (#     52:10  Unique         2.59, 4.98 A)
 &rst
  ixpk= 52, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1063,1064,1065,1067,1068,1069,
 &end
#
#   32 THR  HN          117 PHE  HN          4.00    (#     57:10  Unique         2.94, 3.21 A)
 &rst
  ixpk= 57, nxpk= 10, iat= 511,1848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 LEU  HA          117 PHE  HN          5.00    (#     60:10  Unique         3.27, 3.45 A)
 &rst
  ixpk= 60, nxpk= 10, iat= 527,1848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HA          117 PHE  HN          4.00    (#     61:10  Unique         2.91, 2.92 A)
 &rst
  ixpk= 61, nxpk= 10, iat=1850,1848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  116 VAL  HA          117 PHE  HN          3.00    (#     62:10  Unique         2.18, 2.25 A)
 &rst
  ixpk= 62, nxpk= 10, iat=1834,1848, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   32 THR  HB          117 PHE  HN          5.00    (#     63:10  Unique         3.95, 4.26 A)
 &rst
  ixpk= 63, nxpk= 10, iat= 515,1848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  123 LEU  HA          117 PHE  HN          5.00    (#     64:10  Unique         4.69, 4.92 A)
 &rst
  ixpk= 64, nxpk= 10, iat=1942,1848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HB-         117 PHE  HN          4.00    (#     65:10  Unique         2.44, 3.17 A)
 &rst
  ixpk= 65, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1852,1853,
 &end
#
#  117 PHE  HB+         117 PHE  HN          4.00    (#     66:10  Unique         2.44, 3.17 A)
 &rst
  ixpk= 66, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1852,1853,
 &end
#
#  116 VAL  HB          117 PHE  HN          5.00    (#     67:10  Unique         3.84, 4.18 A)
 &rst
  ixpk= 67, nxpk= 10, iat=1836,1848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:68     117 PHE  HN          5.00    (#     68:10  Single Ambig)
 &rst
  ixpk= 68, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 529, 530, 128, 129, 130,
 &end
#
#    0 AMB  10-2:69     117 PHE  HN          5.00    (#     69:10  Single Ambig)
 &rst
  ixpk= 69, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#  116 VAL  MGY         117 PHE  HN          3.00    (#     70:10  Unique         2.18, 4.09 A)
 &rst
  ixpk= 70, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1838,1839,1840,1842,1843,1844,
 &end
#
#   16 TRP  HZ2          16 TRP  HE1         3.00    (#     71:10  Unique         2.85, 2.85 A)
 &rst
  ixpk= 71, nxpk= 10, iat= 263, 260, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   16 TRP  HD1          16 TRP  HE1         3.00    (#     72:10  Unique         2.64, 2.64 A)
 &rst
  ixpk= 72, nxpk= 10, iat= 258, 260, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   20 GLU  HG-          16 TRP  HE1         5.00    (#     74:10  Unique         4.94, 5.82 A)
 &rst
  ixpk= 74, 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    (#     75:10  Unique         4.94, 5.82 A)
 &rst
  ixpk= 75, nxpk= 10, iat=  -1, 260, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 321, 322,
 &end
#
#   94 ILE  HA           66 ALA  HN          4.00    (#     77:10  Unique         2.30, 2.69 A)
 &rst
  ixpk= 77, nxpk= 10, iat=1495,1073, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:78      66 ALA  HN          3.00    (#     78:10  Single Ambig)
 &rst
  ixpk= 78, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1059,1075,
 &end
#
#    0 AMB  10-2:79      66 ALA  HN          5.00    (#     79:10  Single Ambig)
 &rst
  ixpk= 79, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1480,1481,1480,1481,
 &end
#
#   92 GLN  HG+          66 ALA  HN          5.00    (#     80:10  Unique         2.17, 3.85 A)
 &rst
  ixpk= 80, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1469,1470,
 &end
#
#   66 ALA  MB           66 ALA  HN          3.00    (#     81:10  Unique         2.12, 2.98 A)
 &rst
  ixpk= 81, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1077,1078,1079,
 &end
#
#   95 PHE  HN           66 ALA  HN          5.00    (#     82:10  Unique         3.34, 3.68 A)
 &rst
  ixpk= 82, nxpk= 10, iat=1512,1073, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 GLN  HG-          66 ALA  HN          5.00    (#     84:10  Unique         2.17, 3.85 A)
 &rst
  ixpk= 84, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1469,1470,
 &end
#
#    0 AMB  10-2:85      66 ALA  HN          4.00    (#     85:10  Single Ambig)
 &rst
  ixpk= 85, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1061,1497,
 &end
#
#   64 VAL  MGY          66 ALA  HN          5.00    (#     86:10  Unique         4.15, 7.01 A)
 &rst
  ixpk= 86, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  10-2:87      66 ALA  HN          3.00    (#     87:10  Single Ambig)
 &rst
  ixpk= 87, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1063,1064,1065,1067,1068,1069,1063,1064,1065,1067,
      1068,1069,
 &end
#
#   94 ILE  HG1-         66 ALA  HN          5.00    (#     88:10  Unique         2.01, 4.49 A)
 &rst
  ixpk= 88, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1503,1504,
 &end
#
#    0 AMB  10-2:89      66 ALA  HN          5.00    (#     89:10  Single Ambig)
 &rst
  ixpk= 89, nxpk= 10, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1435,1436,1437, 550, 551, 552,
 &end
#
#  115 TYR  HB-          34 ILE  HN          4.00    (#     92:10  Unique         2.27, 3.29 A)
 &rst
  ixpk= 92, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1815,1816,
 &end
#
#   34 ILE  HG1-         34 ILE  HN          4.00    (#     93:10  Unique         2.40, 3.47 A)
 &rst
  ixpk= 93, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 554, 555,
 &end
#
#  115 TYR  HN           34 ILE  HN          5.00    (#     96:10  Unique         2.63, 3.10 A)
 &rst
  ixpk= 96, nxpk= 10, iat=1811, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:97      34 ILE  HN          5.00    (#     97:10  Single Ambig)
 &rst
  ixpk= 97, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 563,1832,
 &end
#
#    0 AMB  10-2:98      34 ILE  HN          3.00    (#     98:10  Single Ambig)
 &rst
  ixpk= 98, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 527, 546,
 &end
#
#    0 AMB  10-2:99      34 ILE  HN          4.00    (#     99:10  Single Ambig)
 &rst
  ixpk= 99, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1834,1813,
 &end
#
#  115 TYR  HB+          34 ILE  HN          5.00    (#    100:10  Unique         2.27, 3.29 A)
 &rst
  ixpk= 100, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1815,1816,
 &end
#
#   33 LEU  HB+          34 ILE  HN          5.00    (#    101:10  Unique         4.18, 4.42 A)
 &rst
  ixpk= 101, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 529, 530,
 &end
#
#   34 ILE  HB           34 ILE  HN          3.00    (#    102:10  Unique         2.48, 2.61 A)
 &rst
  ixpk= 102, nxpk= 10, iat= 548, 544, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   34 ILE  HG1+         34 ILE  HN          4.00    (#    103:10  Unique         2.40, 3.47 A)
 &rst
  ixpk= 103, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 554, 555,
 &end
#
#   33 LEU  HG           34 ILE  HN          5.00    (#    104:10  Unique         3.10, 3.94 A)
 &rst
  ixpk= 104, nxpk= 10, iat= 532, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:105     34 ILE  HN          4.00    (#    105:10  Single Ambig)
 &rst
  ixpk= 105, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 529, 530, 128, 129, 130,
 &end
#
#    0 AMB  10-2:106     34 ILE  HN          5.00    (#    106:10  Single Ambig)
 &rst
  ixpk= 106, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 534, 535, 536, 538, 539, 540,1063,1064,1065,1067,
      1068,1069,
 &end
#
#   34 ILE  QD1          34 ILE  HN          4.00    (#    107:10  Unique         2.11, 3.60 A)
 &rst
  ixpk= 107, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 557, 558, 559,
 &end
#
#   34 ILE  QG2          34 ILE  HN          5.00    (#    108:10  Unique         4.33, 4.62 A)
 &rst
  ixpk= 108, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 550, 551, 552,
 &end
#
#  147 THR  HA          148 GLU  HN          3.00    (#    119:10  Unique         2.41, 2.86 A)
 &rst
  ixpk= 119, nxpk= 10, iat=2331,2343, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:120    148 GLU  HN          4.00    (#    120:10  Single Ambig)
 &rst
  ixpk= 120, nxpk= 10, iat=  -1,2343, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2306,2333,
 &end
#
#  148 GLU  HG+         148 GLU  HN          4.00    (#    123:10  Unique         3.28, 4.41 A)
 &rst
  ixpk= 123, nxpk= 10, iat=  -1,2343, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2350,2351,
 &end
#
#  148 GLU  HB-         148 GLU  HN          4.00    (#    124:10  Unique         2.76, 3.37 A)
 &rst
  ixpk= 124, nxpk= 10, iat=  -1,2343, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2347,2348,
 &end
#
#  148 GLU  HB+         148 GLU  HN          4.00    (#    125:10  Unique         2.76, 3.37 A)
 &rst
  ixpk= 125, nxpk= 10, iat=  -1,2343, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2347,2348,
 &end
#
#  147 THR  MG2         148 GLU  HN          4.00    (#    126:10  Unique         1.94, 3.96 A)
 &rst
  ixpk= 126, nxpk= 10, iat=  -1,2343, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2335,2336,2337,
 &end
#
#   91 THR  HB           92 GLN  HN          5.00    (#    129:10  Unique         3.85, 4.09 A)
 &rst
  ixpk= 129, nxpk= 10, iat=1452,1462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ASN  HD2+         92 GLN  HN          4.00    (#    131:10  Unique         3.97, 4.44 A)
 &rst
  ixpk= 131, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 302, 303,
 &end
#
#   91 THR  HN           92 GLN  HN          3.00    (#    132:10  Unique         1.83, 2.16 A)
 &rst
  ixpk= 132, nxpk= 10, iat=1448,1462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 GLN  HA           92 GLN  HN          4.00    (#    134:10  Unique         2.68, 2.75 A)
 &rst
  ixpk= 134, nxpk= 10, iat=1464,1462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 THR  HA           92 GLN  HN          4.00    (#    135:10  Unique         3.47, 3.55 A)
 &rst
  ixpk= 135, nxpk= 10, iat=1450,1462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:136     92 GLN  HN          5.00    (#    136:10  Single Ambig)
 &rst
  ixpk= 136, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1480,1481,1480,1481,
 &end
#
#   90 ILE  HA           92 GLN  HN          5.00    (#    137:10  Unique         3.28, 3.53 A)
 &rst
  ixpk= 137, nxpk= 10, iat=1431,1462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:138     92 GLN  HN          5.00    (#    138:10  Single Ambig)
 &rst
  ixpk= 138, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 838, 839, 297, 298,
 &end
#
#   92 GLN  HB+          92 GLN  HN          4.00    (#    139:10  Unique         2.14, 2.93 A)
 &rst
  ixpk= 139, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1466,1467,
 &end
#
#   55 ARG  HB-          92 GLN  HN          5.00    (#    140:10  Unique         3.39, 4.27 A)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 887, 888,
 &end
#
#   92 GLN  HG-          92 GLN  HN          4.00    (#    141:10  Unique         1.87, 3.07 A)
 &rst
  ixpk= 141, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1469,1470,
 &end
#
#   92 GLN  HG+          92 GLN  HN          4.00    (#    142:10  Unique         1.87, 3.07 A)
 &rst
  ixpk= 142, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1469,1470,
 &end
#
#   92 GLN  HB-          92 GLN  HN          3.00    (#    143:10  Unique         2.14, 2.93 A)
 &rst
  ixpk= 143, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1466,1467,
 &end
#
#   64 VAL  MGY          92 GLN  HN          5.00    (#    144:10  Unique         5.47, 6.83 A)
 &rst
  ixpk= 144, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#   91 THR  MG2          92 GLN  HN          5.00    (#    145:10  Unique         3.75, 4.61 A)
 &rst
  ixpk= 145, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1454,1455,1456,
 &end
#
#   90 ILE  QG2          92 GLN  HN          5.00    (#    146:10  Unique         3.31, 4.46 A)
 &rst
  ixpk= 146, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1435,1436,1437,
 &end
#
#   33 LEU  HB+          65 VAL  HN          5.00    (#    147:10  Unique         3.46, 4.61 A)
 &rst
  ixpk= 147, nxpk= 10, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 529, 530,
 &end
#
#   33 LEU  HB-          65 VAL  HN          5.00    (#    148:10  Unique         3.46, 4.61 A)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 529, 530,
 &end
#
#   44 CYS  HN           43 LEU  HN          3.00    (#    149:10  Unique         2.71, 2.79 A)
 &rst
  ixpk= 149, nxpk= 10, iat= 712, 693, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:151     43 LEU  HN          4.00    (#    151:10  Single Ambig)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 678,2063,
 &end
#
#   43 LEU  HA           43 LEU  HN          3.00    (#    152:10  Unique         2.70, 2.73 A)
 &rst
  ixpk= 152, nxpk= 10, iat= 695, 693, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:153     43 LEU  HN          3.00    (#    153:10  Single Ambig)
 &rst
  ixpk= 153, nxpk= 10, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 697, 698,1770,1771,1770,1771,
 &end
#
#   43 LEU  HB+          43 LEU  HN          3.00    (#    154:10  Unique         2.35, 3.03 A)
 &rst
  ixpk= 154, nxpk= 10, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 697, 698,
 &end
#
#   43 LEU  MDY          43 LEU  HN          4.00    (#    155:10  Unique         1.89, 3.90 A)
 &rst
  ixpk= 155, nxpk= 10, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#   43 LEU  MDX          43 LEU  HN          4.00    (#    156:10  Unique         1.89, 3.90 A)
 &rst
  ixpk= 156, nxpk= 10, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#  115 TYR  HA          126 PHE  HN          5.00    (#    158:10  Unique         4.71, 4.82 A)
 &rst
  ixpk= 158, nxpk= 10, iat=1813,2000, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  127 GLN  HN          126 PHE  HN          5.00    (#    159:10  Unique         3.89, 4.11 A)
 &rst
  ixpk= 159, nxpk= 10, iat=2020,2000, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 HIS  HN          126 PHE  HN          5.00    (#    160:10  Unique         4.29, 4.34 A)
 &rst
  ixpk= 160, nxpk= 10, iat=1983,2000, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  126 PHE  HA          126 PHE  HN          3.00    (#    162:10  Unique         2.87, 2.89 A)
 &rst
  ixpk= 162, nxpk= 10, iat=2002,2000, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  125 HIS  HA          126 PHE  HN          3.00    (#    163:10  Unique         2.39, 2.47 A)
 &rst
  ixpk= 163, nxpk= 10, iat=1985,2000, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  125 HIS  HB-         126 PHE  HN          4.00    (#    165:10  Unique         2.59, 3.68 A)
 &rst
  ixpk= 165, nxpk= 10, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1987,1988,
 &end
#
#  126 PHE  HB-         126 PHE  HN          4.00    (#    166:10  Unique         2.49, 3.14 A)
 &rst
  ixpk= 166, nxpk= 10, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2004,2005,
 &end
#
#  126 PHE  HB+         126 PHE  HN          3.00    (#    167:10  Unique         2.49, 3.14 A)
 &rst
  ixpk= 167, nxpk= 10, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2004,2005,
 &end
#
#  125 HIS  HB+         126 PHE  HN          4.00    (#    168:10  Unique         2.59, 3.68 A)
 &rst
  ixpk= 168, nxpk= 10, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1987,1988,
 &end
#
#    3 LEU  MDY         126 PHE  HN          5.00    (#    169:10  Unique         3.13, 5.68 A)
 &rst
  ixpk= 169, nxpk= 10, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#  123 LEU  MDY         126 PHE  HN          5.00    (#    170:10  Unique         3.67, 6.15 A)
 &rst
  ixpk= 170, nxpk= 10, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#   33 LEU  HN           65 VAL  HN          5.00    (#    171:10  Unique         3.06, 3.81 A)
 &rst
  ixpk= 171, nxpk= 10, iat= 525,1057, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HD2          65 VAL  HN          4.00    (#    172:10  Unique         3.26, 3.90 A)
 &rst
  ixpk= 172, nxpk= 10, iat= 576,1057, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 ILE  HA           65 VAL  HN          4.00    (#    173:10  Unique         3.05, 3.28 A)
 &rst
  ixpk= 173, nxpk= 10, iat= 546,1057, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   65 VAL  HA           65 VAL  HN          4.00    (#    174:10  Unique         2.83, 2.88 A)
 &rst
  ixpk= 174, nxpk= 10, iat=1059,1057, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 VAL  HB           65 VAL  HN          5.00    (#    175:10  Unique         3.44, 3.75 A)
 &rst
  ixpk= 175, nxpk= 10, iat=1045,1057, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 VAL  HN           65 VAL  HN          5.00    (#    176:10  Unique         4.16, 4.47 A)
 &rst
  ixpk= 176, nxpk= 10, iat=1041,1057, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 VAL  HA           65 VAL  HN          3.00    (#    177:10  Unique         2.20, 2.30 A)
 &rst
  ixpk= 177, nxpk= 10, iat=1043,1057, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:178     65 VAL  HN          4.00    (#    178:10  Single Ambig)
 &rst
  ixpk= 178, nxpk= 10, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1061, 554, 555,
 &end
#
#   33 LEU  HG           65 VAL  HN          5.00    (#    179:10  Unique         3.11, 4.26 A)
 &rst
  ixpk= 179, nxpk= 10, iat= 532,1057, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:180     65 VAL  HN          3.00    (#    180:10  Single Ambig)
 &rst
  ixpk= 180, nxpk= 10, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1047,1048,1049,1051,1052,1053, 534, 535, 536, 538,
       539, 540,
 &end
#
#   64 VAL  MGX          65 VAL  HN          4.00    (#    181:10  Unique         2.24, 4.30 A)
 &rst
  ixpk= 181, nxpk= 10, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  10-2:182     65 VAL  HN          3.00    (#    182:10  Single Ambig)
 &rst
  ixpk= 182, nxpk= 10, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1063,1064,1065,1067,1068,1069, 534, 535, 536, 538,
       539, 540,
 &end
#
#    0 AMB  10-2:183     65 VAL  HN          5.00    (#    183:10  Single Ambig)
 &rst
  ixpk= 183, nxpk= 10, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 424, 425, 426, 428, 429, 430,1017,1018,1019,1021,
      1022,1023,
 &end
#
#   34 ILE  QG2          65 VAL  HN          5.00    (#    184:10  Unique         5.11, 5.94 A)
 &rst
  ixpk= 184, nxpk= 10, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 550, 551, 552,
 &end
#
#  100 HIS  HD2         102 LEU  HN          5.00    (#    185:10  Unique         3.55, 5.74 A)
 &rst
  ixpk= 185, nxpk= 10, iat=1596,1610, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  101 ALA  HA          102 LEU  HN          4.00    (#    187:10  Unique         3.49, 3.57 A)
 &rst
  ixpk= 187, nxpk= 10, iat=1602,1610, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  102 LEU  HG          102 LEU  HN          5.00    (#    188:10  Unique         2.26, 3.33 A)
 &rst
  ixpk= 188, nxpk= 10, iat=1617,1610, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  MDX         102 LEU  HN          5.00    (#    189:10  Unique         1.94, 3.79 A)
 &rst
  ixpk= 189, nxpk= 10, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#  103 THR  HN          102 LEU  HN          3.00    (#    190:10  Unique         2.52, 2.63 A)
 &rst
  ixpk= 190, nxpk= 10, iat=1629,1610, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  101 ALA  HN          102 LEU  HN          4.00    (#    191:10  Unique         2.62, 2.84 A)
 &rst
  ixpk= 191, nxpk= 10, iat=1600,1610, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:192    102 LEU  HN          4.00    (#    192:10  Single Ambig)
 &rst
  ixpk= 192, nxpk= 10, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1612,1585,
 &end
#
#  101 ALA  MB          102 LEU  HN          3.00    (#    193:10  Unique         1.99, 3.51 A)
 &rst
  ixpk= 193, nxpk= 10, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1604,1605,1606,
 &end
#
#  102 LEU  HB-         102 LEU  HN          3.00    (#    194:10  Unique         1.99, 2.91 A)
 &rst
  ixpk= 194, nxpk= 10, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1614,1615,
 &end
#
#  102 LEU  HB+         102 LEU  HN          4.00    (#    195:10  Unique         1.99, 2.91 A)
 &rst
  ixpk= 195, nxpk= 10, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1614,1615,
 &end
#
#  102 LEU  MDY         102 LEU  HN          5.00    (#    196:10  Unique         1.94, 3.79 A)
 &rst
  ixpk= 196, nxpk= 10, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#  118 ASP  HN          124 ARG  HN          5.00    (#    197:10  Unique         3.74, 4.01 A)
 &rst
  ixpk= 197, nxpk= 10, iat=1868,1959, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 HIS  HN          124 ARG  HN          3.00    (#    198:10  Unique         1.86, 2.03 A)
 &rst
  ixpk= 198, nxpk= 10, iat=1983,1959, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  124 ARG  HG+         124 ARG  HN          5.00    (#    199:10  Unique         2.63, 3.83 A)
 &rst
  ixpk= 199, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1966,1967,
 &end
#
#  124 ARG  HG-         124 ARG  HN          5.00    (#    200:10  Unique         2.63, 3.83 A)
 &rst
  ixpk= 200, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1966,1967,
 &end
#
#    0 AMB  10-2:201    124 ARG  HN          5.00    (#    201:10  Single Ambig)
 &rst
  ixpk= 201, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1944,1945,  47,  48,
 &end
#
#    0 AMB  10-2:202    124 ARG  HN          4.00    (#    202:10  Single Ambig)
 &rst
  ixpk= 202, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1949,1950,1951,1953,1954,1955,1838,1839,1840,1842,
      1843,1844,
 &end
#
#  123 LEU  MDY         124 ARG  HN          3.00    (#    203:10  Unique         1.91, 4.26 A)
 &rst
  ixpk= 203, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#  117 PHE  HA          124 ARG  HN          4.00    (#    204:10  Unique         2.54, 2.75 A)
 &rst
  ixpk= 204, nxpk= 10, iat=1850,1959, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:205    124 ARG  HN          4.00    (#    205:10  Single Ambig)
 &rst
  ixpk= 205, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1961,1985,
 &end
#
#  123 LEU  HA          124 ARG  HN          3.00    (#    206:10  Unique         2.18, 2.21 A)
 &rst
  ixpk= 206, nxpk= 10, iat=1942,1959, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  124 ARG  HB+         124 ARG  HN          4.00    (#    207:10  Unique         2.16, 2.99 A)
 &rst
  ixpk= 207, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1963,1964,
 &end
#
#  124 ARG  HB-         124 ARG  HN          4.00    (#    208:10  Unique         2.16, 2.99 A)
 &rst
  ixpk= 208, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1963,1964,
 &end
#
#  123 LEU  HG          124 ARG  HN          5.00    (#    209:10  Unique         2.36, 3.58 A)
 &rst
  ixpk= 209, nxpk= 10, iat=1947,1959, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 CYS  HA           41 CYS  HN          3.00    (#    212:10  Unique         2.91, 2.92 A)
 &rst
  ixpk= 212, nxpk= 10, iat= 667, 665, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   40 SER  HA           41 CYS  HN          4.00    (#    213:10  Unique         2.87, 3.01 A)
 &rst
  ixpk= 213, nxpk= 10, iat= 656, 665, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:214     41 CYS  HN          5.00    (#    214:10  Single Ambig)
 &rst
  ixpk= 214, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 626, 714,
 &end
#
#   39 ILE  HA           41 CYS  HN          4.00    (#    215:10  Unique         3.38, 3.54 A)
 &rst
  ixpk= 215, nxpk= 10, iat= 637, 665, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 CYS  HB-          41 CYS  HN          5.00    (#    216:10  Unique         2.86, 3.73 A)
 &rst
  ixpk= 216, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 716, 717,
 &end
#
#   38 SER  HB-          41 CYS  HN          4.00    (#    217:10  Unique         2.99, 4.30 A)
 &rst
  ixpk= 217, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 628, 629,
 &end
#
#   38 SER  HB+          41 CYS  HN          4.00    (#    218:10  Unique         2.99, 4.30 A)
 &rst
  ixpk= 218, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 628, 629,
 &end
#
#   41 CYS  HB+          41 CYS  HN          3.00    (#    219:10  Unique         2.23, 3.01 A)
 &rst
  ixpk= 219, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 669, 670,
 &end
#
#   44 CYS  HB+          41 CYS  HN          5.00    (#    220:10  Unique         2.86, 3.73 A)
 &rst
  ixpk= 220, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 716, 717,
 &end
#
#   41 CYS  HB-          41 CYS  HN          3.00    (#    221:10  Unique         2.23, 3.01 A)
 &rst
  ixpk= 221, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 669, 670,
 &end
#
#  111 VAL  MGY          41 CYS  HN          5.00    (#    222:10  Unique         5.66, 7.52 A)
 &rst
  ixpk= 222, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#  110 TYR  HN          109 GLU  HN          4.00    (#    223:10  Unique         1.77, 1.89 A)
 &rst
  ixpk= 223, nxpk= 10, iat=1729,1714, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  108 ASN  HA          109 GLU  HN          3.00    (#    226:10  Unique         2.26, 2.33 A)
 &rst
  ixpk= 226, nxpk= 10, iat=1702,1714, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 GLU  HA          109 GLU  HN          4.00    (#    227:10  Unique         2.74, 2.80 A)
 &rst
  ixpk= 227, nxpk= 10, iat=1716,1714, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:228    109 GLU  HN          5.00    (#    228:10  Single Ambig)
 &rst
  ixpk= 228, nxpk= 10, iat=  -1,1714, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1721,1722,1784,1785,1786,
 &end
#
#  109 GLU  HB-         109 GLU  HN          3.00    (#    229:10  Unique         2.68, 3.30 A)
 &rst
  ixpk= 229, nxpk= 10, iat=  -1,1714, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1718,1719,
 &end
#
#  109 GLU  HG-         109 GLU  HN          5.00    (#    230:10  Unique         4.01, 4.64 A)
 &rst
  ixpk= 230, nxpk= 10, iat=  -1,1714, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1721,1722,
 &end
#
#  106 PHE  HN          105 ALA  HN          3.00    (#    231:10  Unique         2.07, 2.19 A)
 &rst
  ixpk= 231, nxpk= 10, iat=1665,1655, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  105 ALA  HA          105 ALA  HN          3.00    (#    233:10  Unique         2.89, 2.92 A)
 &rst
  ixpk= 233, nxpk= 10, iat=1657,1655, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  104 ASP  HB-         105 ALA  HN          3.00    (#    234:10  Unique         2.66, 3.48 A)
 &rst
  ixpk= 234, nxpk= 10, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1647,1648,
 &end
#
#  104 ASP  HN          105 ALA  HN          3.00    (#    236:10  Unique         2.04, 2.15 A)
 &rst
  ixpk= 236, nxpk= 10, iat=1643,1655, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  104 ASP  HA          105 ALA  HN          4.00    (#    238:10  Unique         3.43, 3.51 A)
 &rst
  ixpk= 238, nxpk= 10, iat=1645,1655, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  102 LEU  HA          105 ALA  HN          4.00    (#    239:10  Unique         2.73, 2.98 A)
 &rst
  ixpk= 239, nxpk= 10, iat=1612,1655, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  106 PHE  HA          105 ALA  HN          5.00    (#    240:10  Unique         4.71, 4.79 A)
 &rst
  ixpk= 240, nxpk= 10, iat=1667,1655, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:241    105 ALA  HN          5.00    (#    241:10  Single Ambig)
 &rst
  ixpk= 241, nxpk= 10, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1631,1687,
 &end
#
#    0 AMB  10-2:242    105 ALA  HN          5.00    (#    242:10  Single Ambig)
 &rst
  ixpk= 242, nxpk= 10, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1669,1670,  11,  12,
 &end
#
#  105 ALA  MB          105 ALA  HN          3.00    (#    244:10  Unique         2.12, 2.95 A)
 &rst
  ixpk= 244, nxpk= 10, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1659,1660,1661,
 &end
#
#    0 AMB  10-2:245    105 ALA  HN          5.00    (#    245:10  Single Ambig)
 &rst
  ixpk= 245, nxpk= 10, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1614,1615,1635,1636,1637,
 &end
#
#  102 LEU  MDX         105 ALA  HN          5.00    (#    246:10  Unique         4.51, 6.59 A)
 &rst
  ixpk= 246, nxpk= 10, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#   43 LEU  HN           44 CYS  HN          3.00    (#    248:10  Unique         2.71, 2.79 A)
 &rst
  ixpk= 248, nxpk= 10, iat= 693, 712, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:249     44 CYS  HN          5.00    (#    249:10  Single Ambig)
 &rst
  ixpk= 249, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 760, 624, 770,
 &end
#
#   45 LYS  HN           44 CYS  HN          4.00    (#    250:10  Unique         2.46, 2.58 A)
 &rst
  ixpk= 250, nxpk= 10, iat= 723, 712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   42 HIS  HA           44 CYS  HN          5.00    (#    252:10  Unique         3.61, 3.87 A)
 &rst
  ixpk= 252, nxpk= 10, iat= 678, 712, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 CYS  HA           44 CYS  HN          4.00    (#    253:10  Unique         2.71, 2.79 A)
 &rst
  ixpk= 253, nxpk= 10, iat= 714, 712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 CYS  HB+          44 CYS  HN          4.00    (#    254:10  Unique         2.13, 2.69 A)
 &rst
  ixpk= 254, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 716, 717,
 &end
#
#   41 CYS  HB-          44 CYS  HN          5.00    (#    255:10  Unique         2.20, 3.01 A)
 &rst
  ixpk= 255, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 669, 670,
 &end
#
#    0 AMB  10-2:256     44 CYS  HN          3.00    (#    256:10  Single Ambig)
 &rst
  ixpk= 256, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1770,1771,1770,1771, 697, 698,
 &end
#
#   43 LEU  HB+          44 CYS  HN          4.00    (#    257:10  Unique         2.59, 3.56 A)
 &rst
  ixpk= 257, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 697, 698,
 &end
#
#   43 LEU  MDY          44 CYS  HN          5.00    (#    258:10  Unique         4.36, 5.77 A)
 &rst
  ixpk= 258, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#   43 LEU  HA           44 CYS  HN          4.00    (#    259:10  Unique         3.44, 3.52 A)
 &rst
  ixpk= 259, nxpk= 10, iat= 695, 712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 CYS  HB-          44 CYS  HN          4.00    (#    260:10  Unique         2.13, 2.69 A)
 &rst
  ixpk= 260, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 716, 717,
 &end
#
#    0 AMB  10-2:261     44 CYS  HN          5.00    (#    261:10  Single Ambig)
 &rst
  ixpk= 261, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 702, 703, 704, 706, 707, 708,1756,1757,1758,1760,
      1761,1762,
 &end
#
#   94 ILE  QG2          68 HIS  HN          4.00    (#    262:10  Unique         3.05, 4.07 A)
 &rst
  ixpk= 262, nxpk= 10, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1499,1500,1501,
 &end
#
#   96 VAL  MGY          68 HIS  HN          5.00    (#    263:10  Unique         2.63, 5.01 A)
 &rst
  ixpk= 263, nxpk= 10, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#   67 VAL  MGX          68 HIS  HN          4.00    (#    264:10  Unique         2.48, 4.64 A)
 &rst
  ixpk= 264, nxpk= 10, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   67 VAL  HA           68 HIS  HN          3.00    (#    266:10  Unique         2.18, 2.20 A)
 &rst
  ixpk= 266, nxpk= 10, iat=1085,1099, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   96 VAL  HA           68 HIS  HN          4.00    (#    267:10  Unique         2.31, 2.94 A)
 &rst
  ixpk= 267, nxpk= 10, iat=1534,1099, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 HIS  HA           68 HIS  HN          5.00    (#    268:10  Unique         2.82, 2.86 A)
 &rst
  ixpk= 268, nxpk= 10, iat=1101,1099, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 HIS  HB-          68 HIS  HN          4.00    (#    269:10  Unique         2.04, 2.65 A)
 &rst
  ixpk= 269, nxpk= 10, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1103,1104,
 &end
#
#    0 AMB  10-2:270     68 HIS  HN          4.00    (#    270:10  Single Ambig)
 &rst
  ixpk= 270, nxpk= 10, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1103,1104,1536,
 &end
#
#   67 VAL  MGY          68 HIS  HN          4.00    (#    271:10  Unique         2.48, 4.64 A)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   41 CYS  HB+          44 CYS  HN          5.00    (#    274:10  Unique         2.20, 3.01 A)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 669, 670,
 &end
#
#    0 AMB  10-2:276     44 CYS  HN          5.00    (#    276:10  Single Ambig)
 &rst
  ixpk= 276, nxpk= 10, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 730, 731, 764, 765, 766,
 &end
#
#   35 HIS  HD2          35 HIS  HN          3.00    (#    277:10  Unique         1.86, 2.33 A)
 &rst
  ixpk= 277, nxpk= 10, iat= 576, 563, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   35 HIS  HA           35 HIS  HN          4.00    (#    278:10  Unique         2.93, 2.93 A)
 &rst
  ixpk= 278, nxpk= 10, iat= 565, 563, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 ILE  HA           35 HIS  HN          3.00    (#    279:10  Unique         2.18, 2.18 A)
 &rst
  ixpk= 279, nxpk= 10, iat= 546, 563, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   35 HIS  HB-          35 HIS  HN          5.00    (#    280:10  Unique         2.72, 3.44 A)
 &rst
  ixpk= 280, 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    (#    281:10  Unique         2.72, 3.44 A)
 &rst
  ixpk= 281, nxpk= 10, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 567, 568,
 &end
#
#    0 AMB  10-2:282     35 HIS  HN          4.00    (#    282:10  Single Ambig)
 &rst
  ixpk= 282, nxpk= 10, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 534, 535, 536, 538, 539, 540, 554, 555,
 &end
#
#   34 ILE  QG2          35 HIS  HN          3.00    (#    283:10  Unique         2.69, 3.92 A)
 &rst
  ixpk= 283, nxpk= 10, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 550, 551, 552,
 &end
#
#   66 ALA  HA           35 HIS  HN          3.00    (#    285:10  Unique         2.43, 2.73 A)
 &rst
  ixpk= 285, nxpk= 10, iat=1075, 563, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:286      0 AMB  10-1:286    5.00    (#    286:10  Double Ambig)
 &rst
  ixpk= 286, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 532,1516,1517,
 igr2= 563,1099,
 &end
#
#    0 AMB  10-2:287     35 HIS  HN          5.00    (#    287:10  Single Ambig)
 &rst
  ixpk= 287, nxpk= 10, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 534, 535, 536, 538, 539, 540,1063,1064,1065,1067,
      1068,1069,1063,1064,1065,1067,1068,1069,
 &end
#
#   10 LEU  MDX          10 LEU  HN          5.00    (#    288:10  Unique         1.93, 4.02 A)
 &rst
  ixpk= 288, 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
#
#   10 LEU  HA           10 LEU  HN          4.00    (#    289:10  Unique         2.21, 2.82 A)
 &rst
  ixpk= 289, nxpk= 10, iat= 165, 163, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    9 GLU  HA           10 LEU  HN          3.00    (#    290:10  Unique         2.20, 2.50 A)
 &rst
  ixpk= 290, nxpk= 10, iat= 150, 163, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    9 GLU  HG-          10 LEU  HN          5.00    (#    291:10  Unique         4.01, 4.80 A)
 &rst
  ixpk= 291, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 155, 156,
 &end
#
#   10 LEU  HB+          10 LEU  HN          4.00    (#    292:10  Unique         2.16, 3.13 A)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 167, 168,
 &end
#
#    9 GLU  HB-          10 LEU  HN          4.00    (#    293:10  Unique         2.16, 4.20 A)
 &rst
  ixpk= 293, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 152, 153,
 &end
#
#    9 GLU  HB+          10 LEU  HN          4.00    (#    294:10  Unique         2.16, 4.20 A)
 &rst
  ixpk= 294, 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    (#    295:10  Unique         1.96, 3.64 A)
 &rst
  ixpk= 295, nxpk= 10, iat= 170, 163, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:296     10 LEU  HN          4.00    (#    296:10  Single Ambig)
 &rst
  ixpk= 296, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 167, 168,1604,1605,1606,
 &end
#
#    0 AMB  10-2:298     10 LEU  HN          5.00    (#    298:10  Single Ambig)
 &rst
  ixpk= 298, 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  MDY          10 LEU  HN          5.00    (#    299:10  Unique         1.93, 4.02 A)
 &rst
  ixpk= 299, 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
#
#    0 AMB  10-2:300     35 HIS  HN          5.00    (#    300:10  Single Ambig)
 &rst
  ixpk= 300, nxpk= 10, iat=  -1, 563, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 554, 555,1061,
 &end
#
#   38 SER  HA           39 ILE  HN          3.00    (#    302:10  Unique         2.22, 2.35 A)
 &rst
  ixpk= 302, nxpk= 10, iat= 626, 635, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   39 ILE  HB           39 ILE  HN          4.00    (#    303:10  Unique         3.50, 3.56 A)
 &rst
  ixpk= 303, nxpk= 10, iat= 639, 635, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   39 ILE  HG1+         39 ILE  HN          4.00    (#    304:10  Unique         2.13, 2.72 A)
 &rst
  ixpk= 304, 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    (#    305:10  Unique         1.92, 2.98 A)
 &rst
  ixpk= 305, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 641, 642, 643,
 &end
#
#    0 AMB  10-2:306     39 ILE  HN          5.00    (#    306:10  Single Ambig)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 648, 649, 650,1756,1757,1758,1760,1761,1762,
 &end
#
#   39 ILE  HA           39 ILE  HN          4.00    (#    308:10  Unique         2.75, 2.83 A)
 &rst
  ixpk= 308, nxpk= 10, iat= 637, 635, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   39 ILE  HG1-         39 ILE  HN          4.00    (#    309:10  Unique         2.13, 2.72 A)
 &rst
  ixpk= 309, nxpk= 10, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 645, 646,
 &end
#
#    4 ARG  HN          123 LEU  HN          4.00    (#    310:10  Unique         3.44, 4.01 A)
 &rst
  ixpk= 310, nxpk= 10, iat=  62,1940, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  122 GLN  HN          123 LEU  HN          5.00    (#    311:10  Unique         4.20, 4.40 A)
 &rst
  ixpk= 311, nxpk= 10, iat=1923,1940, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 PRO  HA          123 LEU  HN          4.00    (#    314:10  Unique         2.54, 2.86 A)
 &rst
  ixpk= 314, nxpk= 10, iat= 113,1940, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  122 GLN  HA          123 LEU  HN          3.00    (#    315:10  Unique         2.20, 2.22 A)
 &rst
  ixpk= 315, nxpk= 10, iat=1925,1940, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:316    123 LEU  HN          3.00    (#    316:10  Single Ambig)
 &rst
  ixpk= 316, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1942,  64,
 &end
#
#    0 AMB  10-2:317    123 LEU  HN          5.00    (#    317:10  Single Ambig)
 &rst
  ixpk= 317, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1927,1928,1930,1931,  90,  91,
 &end
#
#  123 LEU  HB-         123 LEU  HN          3.00    (#    318:10  Unique         2.13, 2.45 A)
 &rst
  ixpk= 318, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1944,1945,
 &end
#
#    0 AMB  10-2:319    123 LEU  HN          4.00    (#    319:10  Single Ambig)
 &rst
  ixpk= 319, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1927,1928,1966,1967,  69,  70,
 &end
#
#  123 LEU  HB+         123 LEU  HN          3.00    (#    320:10  Unique         2.13, 2.45 A)
 &rst
  ixpk= 320, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1944,1945,
 &end
#
#    0 AMB  10-2:321    123 LEU  HN          5.00    (#    321:10  Single Ambig)
 &rst
  ixpk= 321, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1947, 124, 125,
 &end
#
#  123 LEU  MDY         123 LEU  HN          4.00    (#    322:10  Unique         3.82, 4.99 A)
 &rst
  ixpk= 322, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  10-2:323    123 LEU  HN          5.00    (#    323:10  Single Ambig)
 &rst
  ixpk= 323, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 117,1868,
 &end
#
#    5 GLN  HN          123 LEU  HN          4.00    (#    324:10  Unique         2.75, 3.01 A)
 &rst
  ixpk= 324, nxpk= 10, iat=  86,1940, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  122 GLN  HG-         123 LEU  HN          5.00    (#    326:10  Unique         3.30, 4.48 A)
 &rst
  ixpk= 326, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1930,1931,
 &end
#
#    6 PRO  HB+         123 LEU  HN          5.00    (#    327:10  Unique         2.30, 4.18 A)
 &rst
  ixpk= 327, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 110, 111,
 &end
#
#  123 LEU  MDX         123 LEU  HN          4.00    (#    328:10  Unique         3.82, 4.99 A)
 &rst
  ixpk= 328, nxpk= 10, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#  113 ALA  HN           36 PHE  HN          4.00    (#    330:10  Unique         2.51, 2.81 A)
 &rst
  ixpk= 330, nxpk= 10, iat=1780, 580, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 PHE  HA           36 PHE  HN          4.00    (#    331:10  Unique         2.89, 2.92 A)
 &rst
  ixpk= 331, nxpk= 10, iat= 582, 580, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 HIS  HB+          36 PHE  HN          4.00    (#    332:10  Unique         3.14, 3.65 A)
 &rst
  ixpk= 332, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 567, 568,
 &end
#
#   37 TRP  HD1          36 PHE  HN          4.00    (#    333:10  Unique         3.70, 4.38 A)
 &rst
  ixpk= 333, nxpk= 10, iat= 608, 580, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 HIS  HA           36 PHE  HN          3.00    (#    334:10  Unique         2.19, 2.24 A)
 &rst
  ixpk= 334, nxpk= 10, iat= 565, 580, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   35 HIS  HB-          36 PHE  HN          4.00    (#    335:10  Unique         3.14, 3.65 A)
 &rst
  ixpk= 335, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 567, 568,
 &end
#
#   36 PHE  HB+          36 PHE  HN          4.00    (#    336:10  Unique         2.08, 2.90 A)
 &rst
  ixpk= 336, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 584, 585,
 &end
#
#   36 PHE  HB-          36 PHE  HN          4.00    (#    337:10  Unique         2.08, 2.90 A)
 &rst
  ixpk= 337, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 584, 585,
 &end
#
#  113 ALA  MB           36 PHE  HN          5.00    (#    338:10  Unique         2.49, 3.85 A)
 &rst
  ixpk= 338, nxpk= 10, iat=  -1, 580, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1784,1785,1786,
 &end
#
#    0 AMB  10-2:341     85 ALA  HN          5.00    (#    341:10  Single Ambig)
 &rst
  ixpk= 341, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1389,1390,1340,1341,
 &end
#
#   84 THR  HN           85 ALA  HN          3.00    (#    343:10  Unique         2.62, 2.86 A)
 &rst
  ixpk= 343, nxpk= 10, iat=1351,1365, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   82 LYS  HN           85 ALA  HN          5.00    (#    344:10  Unique         4.37, 4.55 A)
 &rst
  ixpk= 344, nxpk= 10, iat=1314,1365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 GLU  HN           85 ALA  HN          5.00    (#    345:10  Unique         3.84, 4.19 A)
 &rst
  ixpk= 345, nxpk= 10, iat=1336,1365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 GLU  HN           85 ALA  HN          5.00    (#    346:10  Unique         3.57, 3.80 A)
 &rst
  ixpk= 346, nxpk= 10, iat=1385,1365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 HIS  HD2          85 ALA  HN          5.00    (#    347:10  Unique         4.19, 4.58 A)
 &rst
  ixpk= 347, nxpk= 10, iat=1413,1365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 THR  HB           85 ALA  HN          3.00    (#    349:10  Unique         2.29, 2.83 A)
 &rst
  ixpk= 349, nxpk= 10, iat=1355,1365, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:350     85 ALA  HN          4.00    (#    350:10  Single Ambig)
 &rst
  ixpk= 350, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1353,1377,
 &end
#
#   83 GLU  HA           85 ALA  HN          5.00    (#    351:10  Unique         4.07, 4.43 A)
 &rst
  ixpk= 351, nxpk= 10, iat=1338,1365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:352     85 ALA  HN          3.00    (#    352:10  Single Ambig)
 &rst
  ixpk= 352, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1367,1316,
 &end
#
#   81 ILE  HA           85 ALA  HN          5.00    (#    353:10  Unique         2.90, 3.32 A)
 &rst
  ixpk= 353, nxpk= 10, iat=1297,1365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:354     85 ALA  HN          5.00    (#    354:10  Single Ambig)
 &rst
  ixpk= 354, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1433,1324,1325,
 &end
#
#   85 ALA  MB           85 ALA  HN          3.00    (#    355:10  Unique         2.04, 2.84 A)
 &rst
  ixpk= 355, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1369,1370,1371,
 &end
#
#    0 AMB  10-2:356     85 ALA  HN          3.00    (#    356:10  Single Ambig)
 &rst
  ixpk= 356, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1357,1358,1359,1379,1380,1381,
 &end
#
#   39 ILE  QG2          85 ALA  HN          5.00    (#    357:10  Unique         4.51, 5.75 A)
 &rst
  ixpk= 357, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 641, 642, 643,
 &end
#
#    0 AMB  10-2:358     85 ALA  HN          5.00    (#    358:10  Single Ambig)
 &rst
  ixpk= 358, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 283, 284, 285, 287, 288, 289,1506,1507,1508,
 &end
#
#   81 ILE  QG2          85 ALA  HN          4.00    (#    359:10  Unique         3.37, 4.64 A)
 &rst
  ixpk= 359, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1301,1302,1303,
 &end
#
#   90 ILE  QD1          85 ALA  HN          5.00    (#    360:10  Unique         4.04, 5.24 A)
 &rst
  ixpk= 360, nxpk= 10, iat=  -1,1365, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1442,1443,1444,
 &end
#
#   62 LEU  HB+          63 ASN  HN          5.00    (#    362:10  Unique         2.77, 3.65 A)
 &rst
  ixpk= 362, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1012,1013,
 &end
#
#   33 LEU  HN           63 ASN  HN          5.00    (#    363:10  Unique         4.21, 4.45 A)
 &rst
  ixpk= 363, nxpk= 10, iat= 525,1027, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 VAL  HN           63 ASN  HN          5.00    (#    364:10  Unique         4.36, 4.49 A)
 &rst
  ixpk= 364, nxpk= 10, iat=1041,1027, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ASN  HA           63 ASN  HN          4.00    (#    365:10  Unique         2.81, 2.86 A)
 &rst
  ixpk= 365, nxpk= 10, iat=1029,1027, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:366     63 ASN  HN          4.00    (#    366:10  Single Ambig)
 &rst
  ixpk= 366, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1012,1013, 479, 480,
 &end
#
#    0 AMB  10-2:367     63 ASN  HN          5.00    (#    367:10  Single Ambig)
 &rst
  ixpk= 367, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 485, 486, 529, 530, 482, 483,
 &end
#
#    0 AMB  10-2:368     63 ASN  HN          5.00    (#    368:10  Single Ambig)
 &rst
  ixpk= 368, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2294,2295,2296,2298,2299,2300, 440, 441, 442,
 &end
#
#   62 LEU  MDX          63 ASN  HN          3.00    (#    369:10  Unique         2.05, 4.49 A)
 &rst
  ixpk= 369, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1017,1018,1019,1021,1022,1023,
 &end
#
#   62 LEU  MDY          63 ASN  HN          4.00    (#    370:10  Unique         2.05, 4.49 A)
 &rst
  ixpk= 370, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1017,1018,1019,1021,1022,1023,
 &end
#
#   63 ASN  HD2-         63 ASN  HN          5.00    (#    372:10  Unique         1.94, 3.01 A)
 &rst
  ixpk= 372, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1036,1037,
 &end
#
#   32 THR  HA           63 ASN  HN          3.00    (#    373:10  Unique         2.74, 2.92 A)
 &rst
  ixpk= 373, nxpk= 10, iat= 513,1027, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 LEU  HA           63 ASN  HN          3.00    (#    374:10  Unique         2.19, 2.37 A)
 &rst
  ixpk= 374, nxpk= 10, iat=1010,1027, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN  HB-          63 ASN  HN          3.00    (#    375:10  Unique         2.31, 3.05 A)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1031,1032,
 &end
#
#   63 ASN  HB+          63 ASN  HN          4.00    (#    376:10  Unique         2.31, 3.05 A)
 &rst
  ixpk= 376, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1031,1032,
 &end
#
#   32 THR  MG2          63 ASN  HN          5.00    (#    377:10  Unique         5.05, 6.00 A)
 &rst
  ixpk= 377, nxpk= 10, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 517, 518, 519,
 &end
#
#    0 AMB  10-2:380     64 VAL  HN          4.00    (#    380:10  Single Ambig)
 &rst
  ixpk= 380, nxpk= 10, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1057,1027,
 &end
#
#   64 VAL  HA           64 VAL  HN          4.00    (#    381:10  Unique         2.89, 2.93 A)
 &rst
  ixpk= 381, nxpk= 10, iat=1043,1041, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   63 ASN  HA           64 VAL  HN          3.00    (#    382:10  Unique         2.25, 2.28 A)
 &rst
  ixpk= 382, nxpk= 10, iat=1029,1041, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN  HB+          64 VAL  HN          4.00    (#    383:10  Unique         3.04, 3.82 A)
 &rst
  ixpk= 383, nxpk= 10, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1031,1032,
 &end
#
#   64 VAL  HB           64 VAL  HN          3.00    (#    384:10  Unique         2.59, 2.82 A)
 &rst
  ixpk= 384, nxpk= 10, iat=1045,1041, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   64 VAL  MGY          64 VAL  HN          4.00    (#    385:10  Unique         2.07, 3.74 A)
 &rst
  ixpk= 385, nxpk= 10, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#   65 VAL  MGX          64 VAL  HN          5.00    (#    386:10  Unique         3.92, 6.42 A)
 &rst
  ixpk= 386, nxpk= 10, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1063,1064,1065,1067,1068,1069,
 &end
#
#    0 AMB  10-2:387     64 VAL  HN          4.00    (#    387:10  Single Ambig)
 &rst
  ixpk= 387, nxpk= 10, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1017,1018,1019,1021,1022,1023, 424, 425, 426, 428,
       429, 430,
 &end
#
#  127 GLN  HN          128 ALA  HN          5.00    (#    389:10  Unique         4.21, 4.42 A)
 &rst
  ixpk= 389, nxpk= 10, iat=2020,2037, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 GLY  HN           80 LYS  HN          3.00    (#    391:10  Unique         2.24, 2.47 A)
 &rst
  ixpk= 391, nxpk= 10, iat=1266,1273, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:392      0 AMB  10-1:392    5.00    (#    392:10  Double Ambig)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1314,1643,
 igr2=1273,1600,
 &end
#
#    0 AMB  10-2:394      0 AMB  10-1:394    3.00    (#    394:10  Double Ambig)
 &rst
  ixpk= 394, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1602,1275,
 igr2=1600,1273,
 &end
#
#   79 GLY  HA-          80 LYS  HN          3.00    (#    395:10  Unique         2.87, 3.29 A)
 &rst
  ixpk= 395, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1268,1269,
 &end
#
#   79 GLY  HA+          80 LYS  HN          3.00    (#    396:10  Unique         2.87, 3.29 A)
 &rst
  ixpk= 396, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1268,1269,
 &end
#
#   77 ASP  HB+          80 LYS  HN          4.00    (#    397:10  Unique         2.06, 3.26 A)
 &rst
  ixpk= 397, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1244,1245,
 &end
#
#   80 LYS  HB-          80 LYS  HN          3.00    (#    398:10  Unique         2.15, 2.97 A)
 &rst
  ixpk= 398, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1277,1278,
 &end
#
#   80 LYS  HD-          80 LYS  HN          4.00    (#    399:10  Unique         2.45, 3.72 A)
 &rst
  ixpk= 399, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1283,1284,
 &end
#
#   80 LYS  HG-          80 LYS  HN          4.00    (#    400:10  Unique         1.91, 3.20 A)
 &rst
  ixpk= 400, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1280,1281,
 &end
#
#   81 ILE  HG1+         80 LYS  HN          5.00    (#    401:10  Unique         3.71, 5.28 A)
 &rst
  ixpk= 401, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1305,1306,
 &end
#
#  100 HIS  HN          101 ALA  HN          4.00    (#    402:10  Unique         2.52, 3.00 A)
 &rst
  ixpk= 402, nxpk= 10, iat=1583,1600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 PHE  HZ          101 ALA  HN          4.00    (#    403:10  Unique         2.26, 5.29 A)
 &rst
  ixpk= 403, nxpk= 10, iat=1524,1600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:404      0 AMB  10-1:404    4.00    (#    404:10  Double Ambig)
 &rst
  ixpk= 404, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1244,1245,1575,1576,
 igr2=1273,1600,
 &end
#
#   97 ASP  HB+         101 ALA  HN          5.00    (#    405:10  Unique         2.66, 4.39 A)
 &rst
  ixpk= 405, nxpk= 10, iat=  -1,1600, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1552,1553,
 &end
#
#   80 LYS  HG+          80 LYS  HN          3.00    (#    406:10  Unique         1.91, 3.20 A)
 &rst
  ixpk= 406, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1280,1281,
 &end
#
#  102 LEU  HN          101 ALA  HN          4.00    (#    408:10  Unique         2.62, 2.84 A)
 &rst
  ixpk= 408, nxpk= 10, iat=1610,1600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  100 HIS  HA          101 ALA  HN          4.00    (#    409:10  Unique         2.20, 2.50 A)
 &rst
  ixpk= 409, nxpk= 10, iat=1585,1600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   63 ASN  HB-          64 VAL  HN          4.00    (#    410:10  Unique         3.04, 3.82 A)
 &rst
  ixpk= 410, nxpk= 10, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1031,1032,
 &end
#
#   64 VAL  MGX          64 VAL  HN          3.00    (#    412:10  Unique         2.07, 3.74 A)
 &rst
  ixpk= 412, nxpk= 10, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#  128 ALA  HA          128 ALA  HN          3.00    (#    413:10  Unique         2.90, 2.92 A)
 &rst
  ixpk= 413, nxpk= 10, iat=2039,2037, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  127 GLN  HA          128 ALA  HN          3.00    (#    416:10  Unique         2.23, 2.28 A)
 &rst
  ixpk= 416, nxpk= 10, iat=2022,2037, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  127 GLN  HB+         128 ALA  HN          4.00    (#    417:10  Unique         2.84, 3.92 A)
 &rst
  ixpk= 417, nxpk= 10, iat=  -1,2037, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2024,2025,
 &end
#
#  127 GLN  HB-         128 ALA  HN          4.00    (#    418:10  Unique         2.84, 3.92 A)
 &rst
  ixpk= 418, nxpk= 10, iat=  -1,2037, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2024,2025,
 &end
#
#  113 ALA  MB          128 ALA  HN          5.00    (#    419:10  Unique         4.57, 6.00 A)
 &rst
  ixpk= 419, nxpk= 10, iat=  -1,2037, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1784,1785,1786,
 &end
#
#  128 ALA  MB          128 ALA  HN          3.00    (#    420:10  Unique         2.51, 3.24 A)
 &rst
  ixpk= 420, nxpk= 10, iat=  -1,2037, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2041,2042,2043,
 &end
#
#   52 ASN  HN           51 VAL  HN          3.00    (#    421:10  Unique         2.29, 2.40 A)
 &rst
  ixpk= 421, nxpk= 10, iat= 834, 818, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   50 GLN  HN           51 VAL  HN          3.00    (#    422:10  Unique         2.35, 2.47 A)
 &rst
  ixpk= 422, nxpk= 10, iat= 801, 818, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 MET  HA           51 VAL  HN          4.00    (#    423:10  Unique         3.56, 3.65 A)
 &rst
  ixpk= 423, nxpk= 10, iat= 772, 818, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:424     51 VAL  HN          4.00    (#    424:10  Single Ambig)
 &rst
  ixpk= 424, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 803, 573,
 &end
#
#   51 VAL  HA           51 VAL  HN          4.00    (#    425:10  Unique         2.85, 2.87 A)
 &rst
  ixpk= 425, nxpk= 10, iat= 820, 818, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:426     51 VAL  HN          3.00    (#    426:10  Single Ambig)
 &rst
  ixpk= 426, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 805, 806, 808, 809,
 &end
#
#   51 VAL  HB           51 VAL  HN          3.00    (#    427:10  Unique         2.00, 2.10 A)
 &rst
  ixpk= 427, nxpk= 10, iat= 822, 818, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   51 VAL  MGY          51 VAL  HN          3.00    (#    428:10  Unique         2.76, 3.96 A)
 &rst
  ixpk= 428, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#   51 VAL  MGX          51 VAL  HN          4.00    (#    429:10  Unique         2.76, 3.96 A)
 &rst
  ixpk= 429, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#  133 MET  ME           51 VAL  HN          5.00    (#    430:10  Unique         3.55, 5.36 A)
 &rst
  ixpk= 430, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2090,2091,2092,
 &end
#
#   56 ASP  HN           57 LYS  HN          4.00    (#    431:10  Unique         2.58, 2.65 A)
 &rst
  ixpk= 431, nxpk= 10, iat= 907, 919, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 PHE  HA           57 LYS  HN          5.00    (#    432:10  Unique         3.13, 3.42 A)
 &rst
  ixpk= 432, nxpk= 10, iat= 865, 919, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 GLU  HA           57 LYS  HN          5.00    (#    433:10  Unique         4.18, 4.32 A)
 &rst
  ixpk= 433, nxpk= 10, iat= 850, 919, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:434      0 AMB  10-1:434    3.00    (#    434:10  Double Ambig)
 &rst
  ixpk= 434, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 911, 912,1466,1467,
 igr2= 919,1041,
 &end
#
#   58 TYR  HN           57 LYS  HN          3.00    (#    436:10  Unique         2.42, 2.82 A)
 &rst
  ixpk= 436, nxpk= 10, iat= 941, 919, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   56 ASP  HA           57 LYS  HN          5.00    (#    437:10  Unique         3.44, 3.48 A)
 &rst
  ixpk= 437, nxpk= 10, iat= 909, 919, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 LYS  HA           57 LYS  HN          3.00    (#    438:10  Unique         2.75, 2.80 A)
 &rst
  ixpk= 438, nxpk= 10, iat= 921, 919, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   57 LYS  HB-          57 LYS  HN          3.00    (#    439:10  Unique         2.01, 2.59 A)
 &rst
  ixpk= 439, nxpk= 10, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 923, 924,
 &end
#
#   57 LYS  HB+          57 LYS  HN          3.00    (#    440:10  Unique         2.01, 2.59 A)
 &rst
  ixpk= 440, nxpk= 10, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 923, 924,
 &end
#
#   94 ILE  HN           17 LEU  HN          4.00    (#    442:10  Unique         3.05, 3.41 A)
 &rst
  ixpk= 442, nxpk= 10, iat=1493, 274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16 TRP  HE3          17 LEU  HN          4.00    (#    443:10  Unique         3.33, 3.86 A)
 &rst
  ixpk= 443, nxpk= 10, iat= 269, 274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16 TRP  HA           17 LEU  HN          3.00    (#    444:10  Unique         2.21, 2.27 A)
 &rst
  ixpk= 444, nxpk= 10, iat= 252, 274, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   17 LEU  HA           17 LEU  HN          4.00    (#    445:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 445, nxpk= 10, iat= 276, 274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16 TRP  HB-          17 LEU  HN          4.00    (#    446:10  Unique         2.83, 3.62 A)
 &rst
  ixpk= 446, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 254, 255,
 &end
#
#    0 AMB  10-2:447     17 LEU  HN          5.00    (#    447:10  Single Ambig)
 &rst
  ixpk= 447, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 254, 255, 297, 298,
 &end
#
#   94 ILE  HB           17 LEU  HN          4.00    (#    448:10  Unique         2.60, 3.14 A)
 &rst
  ixpk= 448, nxpk= 10, iat=1497, 274, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 LEU  HB-          17 LEU  HN          4.00    (#    449:10  Unique         2.38, 3.06 A)
 &rst
  ixpk= 449, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 278, 279,
 &end
#
#    0 AMB  10-2:450     17 LEU  HN          3.00    (#    450:10  Single Ambig)
 &rst
  ixpk= 450, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 281, 278, 279,
 &end
#
#    0 AMB  10-2:451     17 LEU  HN          4.00    (#    451:10  Single Ambig)
 &rst
  ixpk= 451, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 283, 284, 285, 287, 288, 289,1538,1539,1540,1542,
      1543,1544,
 &end
#
#    0 AMB  10-2:452     17 LEU  HN          4.00    (#    452:10  Single Ambig)
 &rst
  ixpk= 452, nxpk= 10, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 283, 284, 285, 287, 288, 289,1538,1539,1540,1542,
      1543,1544,
 &end
#
#    0 AMB  10-2:453     30 LYS  HN          5.00    (#    453:10  Single Ambig)
 &rst
  ixpk= 453, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1890,1891,1887,1888,
 &end
#
#   37 TRP  HD1          37 TRP  HN          3.00    (#    454:10  Unique         1.86, 2.71 A)
 &rst
  ixpk= 454, nxpk= 10, iat= 608, 600, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   37 TRP  HA           37 TRP  HN          4.00    (#    455:10  Unique         2.88, 2.92 A)
 &rst
  ixpk= 455, nxpk= 10, iat= 602, 600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:456      0 AMB  10-1:456    4.00    (#    456:10  Double Ambig)
 &rst
  ixpk= 456, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1101, 498, 499,
 igr2= 600, 475,
 &end
#
#   36 PHE  HA           37 TRP  HN          3.00    (#    457:10  Unique         2.19, 2.22 A)
 &rst
  ixpk= 457, nxpk= 10, iat= 582, 600, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    3 LEU  HN            2 LYS  HN          5.00    (#    458:10  Unique         2.56, 3.55 A)
 &rst
  ixpk= 458, nxpk= 10, iat=  43,  21, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    2 LYS  HA            2 LYS  HN          3.00    (#    464:10  Unique         2.82, 2.88 A)
 &rst
  ixpk= 464, 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    (#    465:10  Unique         2.20, 2.46 A)
 &rst
  ixpk= 465, 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    (#    466:10  Unique         1.88, 3.23 A)
 &rst
  ixpk= 466, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  93,  94,
 &end
#
#    5 GLN  HB+           2 LYS  HN          4.00    (#    467:10  Unique         3.12, 3.98 A)
 &rst
  ixpk= 467, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  90,  91,
 &end
#
#    5 GLN  HB-           2 LYS  HN          4.00    (#    468:10  Unique         3.12, 3.98 A)
 &rst
  ixpk= 468, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  90,  91,
 &end
#
#    1 MET  HB-           2 LYS  HN          4.00    (#    469:10  Unique         2.12, 3.45 A)
 &rst
  ixpk= 469, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=   8,   9,
 &end
#
#    1 MET  HB+           2 LYS  HN          3.00    (#    470:10  Unique         2.12, 3.45 A)
 &rst
  ixpk= 470, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=   8,   9,
 &end
#
#    2 LYS  HB-           2 LYS  HN          4.00    (#    471:10  Unique         3.07, 3.64 A)
 &rst
  ixpk= 471, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  25,  26,
 &end
#
#    2 LYS  HG-           2 LYS  HN          3.00    (#    472:10  Unique         2.21, 3.07 A)
 &rst
  ixpk= 472, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  28,  29,
 &end
#
#  123 LEU  MDX           2 LYS  HN          5.00    (#    473:10  Unique         2.64, 5.74 A)
 &rst
  ixpk= 473, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#   29 GLU  HN           30 LYS  HN          3.00    (#    477:10  Unique         1.74, 1.96 A)
 &rst
  ixpk= 477, 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    (#    478:10  Unique         2.91, 2.93 A)
 &rst
  ixpk= 478, nxpk= 10, iat= 477, 475, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:481     30 LYS  HN          4.00    (#    481:10  Single Ambig)
 &rst
  ixpk= 481, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 462, 455, 456,
 &end
#
#    0 AMB  10-2:482     30 LYS  HN          5.00    (#    482:10  Single Ambig)
 &rst
  ixpk= 482, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1882, 498, 499,
 &end
#
#   29 GLU  HG-          30 LYS  HN          5.00    (#    483:10  Unique         2.01, 3.98 A)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 467, 468,
 &end
#
#   29 GLU  HG+          30 LYS  HN          5.00    (#    484:10  Unique         2.01, 3.98 A)
 &rst
  ixpk= 484, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 467, 468,
 &end
#
#   29 GLU  HB+          30 LYS  HN          4.00    (#    485:10  Unique         2.66, 3.59 A)
 &rst
  ixpk= 485, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 464, 465,
 &end
#
#    0 AMB  10-2:487     30 LYS  HN          3.00    (#    487:10  Single Ambig)
 &rst
  ixpk= 487, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 479, 480,1884,1885,
 &end
#
#   30 LYS  HD+          30 LYS  HN          5.00    (#    488:10  Unique         2.68, 3.82 A)
 &rst
  ixpk= 488, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 485, 486,
 &end
#
#    0 AMB  10-2:489     30 LYS  HN          3.00    (#    489:10  Single Ambig)
 &rst
  ixpk= 489, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 482, 483, 485, 486,
 &end
#
#   27 ILE  HG1-         23 ARG  HN          5.00    (#    490:10  Unique         5.41, 6.01 A)
 &rst
  ixpk= 490, nxpk= 10, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 444, 445,
 &end
#
#   24 GLU  HN           23 ARG  HN          4.00    (#    491:10  Unique         2.69, 2.95 A)
 &rst
  ixpk= 491, nxpk= 10, iat= 383, 359, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 THR  HA           23 ARG  HN          3.00    (#    492:10  Unique         2.30, 2.40 A)
 &rst
  ixpk= 492, nxpk= 10, iat= 347, 359, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   22 THR  HB           23 ARG  HN          3.00    (#    493:10  Unique         2.77, 3.04 A)
 &rst
  ixpk= 493, nxpk= 10, iat= 349, 359, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   23 ARG  HA           23 ARG  HN          3.00    (#    494:10  Unique         2.61, 2.65 A)
 &rst
  ixpk= 494, nxpk= 10, iat= 361, 359, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   23 ARG  HB+          23 ARG  HN          3.00    (#    495:10  Unique         2.30, 2.97 A)
 &rst
  ixpk= 495, nxpk= 10, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 363, 364,
 &end
#
#   23 ARG  HG-          23 ARG  HN          4.00    (#    496:10  Unique         1.99, 2.94 A)
 &rst
  ixpk= 496, nxpk= 10, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 366, 367,
 &end
#
#   22 THR  MG2          23 ARG  HN          4.00    (#    497:10  Unique         1.97, 3.73 A)
 &rst
  ixpk= 497, nxpk= 10, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 351, 352, 353,
 &end
#
#   10 LEU  MDX          23 ARG  HN          5.00    (#    498:10  Unique         2.15, 5.06 A)
 &rst
  ixpk= 498, nxpk= 10, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 172, 173, 174, 176, 177, 178,
 &end
#
#   80 LYS  HA           81 ILE  HN          5.00    (#    501:10  Unique         3.56, 3.62 A)
 &rst
  ixpk= 501, nxpk= 10, iat=1275,1295, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 GLY  HN           81 ILE  HN          5.00    (#    502:10  Unique         3.87, 4.23 A)
 &rst
  ixpk= 502, nxpk= 10, iat=1266,1295, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 LYS  HN           81 ILE  HN          3.00    (#    503:10  Unique         2.74, 2.95 A)
 &rst
  ixpk= 503, nxpk= 10, iat=1314,1295, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   80 LYS  HN           81 ILE  HN          3.00    (#    504:10  Unique         2.35, 2.53 A)
 &rst
  ixpk= 504, nxpk= 10, iat=1273,1295, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:505     81 ILE  HN          4.00    (#    505:10  Single Ambig)
 &rst
  ixpk= 505, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1262,1109,
 &end
#
#   81 ILE  HA           81 ILE  HN          4.00    (#    506:10  Unique         2.66, 2.70 A)
 &rst
  ixpk= 506, nxpk= 10, iat=1297,1295, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   82 LYS  HB-          81 ILE  HN          5.00    (#    507:10  Unique         4.45, 5.28 A)
 &rst
  ixpk= 507, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1318,1319,
 &end
#
#   80 LYS  HB-          81 ILE  HN          4.00    (#    508:10  Unique         2.36, 3.10 A)
 &rst
  ixpk= 508, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1277,1278,
 &end
#
#   81 ILE  HB           81 ILE  HN          3.00    (#    509:10  Unique         2.23, 2.39 A)
 &rst
  ixpk= 509, nxpk= 10, iat=1299,1295, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   81 ILE  HG1+         81 ILE  HN          3.00    (#    510:10  Unique         1.91, 3.00 A)
 &rst
  ixpk= 510, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1305,1306,
 &end
#
#   39 ILE  QG2          81 ILE  HN          5.00    (#    511:10  Unique         4.08, 5.45 A)
 &rst
  ixpk= 511, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 641, 642, 643,
 &end
#
#   39 ILE  QD1          81 ILE  HN          4.00    (#    512:10  Unique         3.09, 4.63 A)
 &rst
  ixpk= 512, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 648, 649, 650,
 &end
#
#   81 ILE  QG2          81 ILE  HN          4.00    (#    513:10  Unique         4.18, 4.45 A)
 &rst
  ixpk= 513, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1301,1302,1303,
 &end
#
#   81 ILE  QD1          81 ILE  HN          4.00    (#    514:10  Unique         1.99, 3.59 A)
 &rst
  ixpk= 514, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1308,1309,1310,
 &end
#
#   81 ILE  HG1-         81 ILE  HN          4.00    (#    515:10  Unique         1.91, 3.00 A)
 &rst
  ixpk= 515, nxpk= 10, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1305,1306,
 &end
#
#   83 GLU  HN           81 ILE  HN          5.00    (#    516:10  Unique         3.93, 4.60 A)
 &rst
  ixpk= 516, nxpk= 10, iat=1336,1295, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 HIS  HN          116 VAL  HN          4.00    (#    519:10  Unique         2.95, 3.11 A)
 &rst
  ixpk= 519, nxpk= 10, iat=1983,1832, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  126 PHE  HA          116 VAL  HN          4.00    (#    521:10  Unique         2.88, 3.03 A)
 &rst
  ixpk= 521, nxpk= 10, iat=2002,1832, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:523    116 VAL  HN          3.00    (#    523:10  Single Ambig)
 &rst
  ixpk= 523, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1813,1834,
 &end
#
#    0 AMB  10-2:524    116 VAL  HN          5.00    (#    524:10  Single Ambig)
 &rst
  ixpk= 524, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1985,1961,
 &end
#
#  125 HIS  HB-         116 VAL  HN          5.00    (#    525:10  Unique         4.16, 5.19 A)
 &rst
  ixpk= 525, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1987,1988,
 &end
#
#  115 TYR  HB+         116 VAL  HN          4.00    (#    526:10  Unique         2.84, 3.68 A)
 &rst
  ixpk= 526, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1815,1816,
 &end
#
#    0 AMB  10-2:527    116 VAL  HN          5.00    (#    527:10  Single Ambig)
 &rst
  ixpk= 527, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1987,1988, 529, 530,
 &end
#
#  116 VAL  HB          116 VAL  HN          3.00    (#    528:10  Unique         2.30, 2.51 A)
 &rst
  ixpk= 528, nxpk= 10, iat=1836,1832, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:529    116 VAL  HN          3.00    (#    529:10  Single Ambig)
 &rst
  ixpk= 529, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,1949,1950,1951,1953,1954,1955,
 &end
#
#  123 LEU  MDY         116 VAL  HN          3.00    (#    530:10  Unique         2.90, 4.81 A)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#  124 ARG  HN          116 VAL  HN          5.00    (#    531:10  Unique         3.87, 4.06 A)
 &rst
  ixpk= 531, nxpk= 10, iat=1959,1832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 PRO  HB-           7 MET  HN          4.00    (#    532:10  Unique         2.08, 3.86 A)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 110, 111,
 &end
#
#    6 PRO  HA            7 MET  HN          3.00    (#    536:10  Unique         2.15, 2.33 A)
 &rst
  ixpk= 536, nxpk= 10, iat= 113, 117, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  122 GLN  HA            7 MET  HN          5.00    (#    538:10  Unique         3.90, 4.45 A)
 &rst
  ixpk= 538, nxpk= 10, iat=1925, 117, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    7 MET  HA            7 MET  HN          4.00    (#    539:10  Unique         2.18, 2.32 A)
 &rst
  ixpk= 539, nxpk= 10, iat= 119, 117, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  121 GLY  HA+           7 MET  HN          5.00    (#    540:10  Unique         3.44, 4.76 A)
 &rst
  ixpk= 540, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1918,1919,
 &end
#
#    8 PRO  HD+           7 MET  HN          5.00    (#    541:10  Unique         2.83, 3.78 A)
 &rst
  ixpk= 541, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 135, 136,
 &end
#
#    7 MET  HG+           7 MET  HN          4.00    (#    542:10  Unique         1.92, 3.20 A)
 &rst
  ixpk= 542, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 124, 125,
 &end
#
#    6 PRO  HB+           7 MET  HN          4.00    (#    543:10  Unique         2.08, 3.86 A)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 110, 111,
 &end
#
#    5 GLN  HB-           7 MET  HN          5.00    (#    544:10  Unique         3.16, 5.70 A)
 &rst
  ixpk= 544, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  90,  91,
 &end
#
#    7 MET  ME            7 MET  HN          4.00    (#    545:10  Unique         2.09, 3.50 A)
 &rst
  ixpk= 545, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 128, 129, 130,
 &end
#
#   60 ASP  HN           59 GLN  HN          4.00    (#    547:10  Unique         2.24, 2.72 A)
 &rst
  ixpk= 547, nxpk= 10, iat= 979, 962, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   57 LYS  HN           59 GLN  HN          5.00    (#    548:10  Unique         3.72, 3.88 A)
 &rst
  ixpk= 548, nxpk= 10, iat= 919, 962, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 TYR  HN           59 GLN  HN          3.00    (#    549:10  Unique         1.92, 2.64 A)
 &rst
  ixpk= 549, nxpk= 10, iat= 941, 962, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   58 TYR  HA           59 GLN  HN          4.00    (#    553:10  Unique         2.82, 2.94 A)
 &rst
  ixpk= 553, nxpk= 10, iat= 943, 962, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 ASP  HA           59 GLN  HN          4.00    (#    555:10  Unique         3.25, 3.48 A)
 &rst
  ixpk= 555, nxpk= 10, iat= 909, 962, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLN  HA           59 GLN  HN          3.00    (#    556:10  Unique         2.30, 2.72 A)
 &rst
  ixpk= 556, nxpk= 10, iat= 964, 962, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   57 LYS  HA           59 GLN  HN          5.00    (#    557:10  Unique         3.93, 4.53 A)
 &rst
  ixpk= 557, nxpk= 10, iat= 921, 962, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 TYR  HB-          59 GLN  HN          5.00    (#    558:10  Unique         2.74, 4.32 A)
 &rst
  ixpk= 558, nxpk= 10, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 945, 946,
 &end
#
#   59 GLN  HG-          59 GLN  HN          4.00    (#    559:10  Unique         1.79, 3.82 A)
 &rst
  ixpk= 559, nxpk= 10, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 969, 970,
 &end
#
#    0 AMB  10-2:560     59 GLN  HN          3.00    (#    560:10  Single Ambig)
 &rst
  ixpk= 560, nxpk= 10, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 969, 970, 966, 967,
 &end
#
#   59 GLN  HB-          59 GLN  HN          3.00    (#    561:10  Unique         2.02, 2.83 A)
 &rst
  ixpk= 561, nxpk= 10, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 966, 967,
 &end
#
#   57 LYS  HB+          59 GLN  HN          5.00    (#    562:10  Unique         4.24, 5.01 A)
 &rst
  ixpk= 562, nxpk= 10, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 923, 924,
 &end
#
#   72 SER  HN           71 ARG  HN          3.00    (#    564:10  Unique         2.31, 2.47 A)
 &rst
  ixpk= 564, nxpk= 10, iat=1171,1147, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:567     71 ARG  HN          5.00    (#    567:10  Single Ambig)
 &rst
  ixpk= 567, nxpk= 10, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1173,1223,
 &end
#
#   71 ARG  HA           71 ARG  HN          3.00    (#    568:10  Unique         2.75, 2.83 A)
 &rst
  ixpk= 568, nxpk= 10, iat=1149,1147, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:569     71 ARG  HN          4.00    (#    569:10  Single Ambig)
 &rst
  ixpk= 569, nxpk= 10, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1213,1214,1157,1158,
 &end
#
#   75 ASP  HB-          71 ARG  HN          4.00    (#    570:10  Unique         2.69, 3.55 A)
 &rst
  ixpk= 570, nxpk= 10, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1213,1214,
 &end
#
#   71 ARG  HB-          71 ARG  HN          3.00    (#    571:10  Unique         2.05, 2.60 A)
 &rst
  ixpk= 571, nxpk= 10, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1151,1152,
 &end
#
#   71 ARG  HB+          71 ARG  HN          3.00    (#    572:10  Unique         2.05, 2.60 A)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1151,1152,
 &end
#
#   70 PRO  HB-          71 ARG  HN          4.00    (#    573:10  Unique         4.41, 4.56 A)
 &rst
  ixpk= 573, nxpk= 10, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1140,1141,
 &end
#
#   71 ARG  HG-          71 ARG  HN          4.00    (#    574:10  Unique         3.72, 4.23 A)
 &rst
  ixpk= 574, nxpk= 10, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1154,1155,
 &end
#
#    0 AMB  10-2:575    115 TYR  HN          5.00    (#    575:10  Single Ambig)
 &rst
  ixpk= 575, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 563,1832,
 &end
#
#   34 ILE  HB          115 TYR  HN          4.00    (#    579:10  Unique         3.74, 3.93 A)
 &rst
  ixpk= 579, nxpk= 10, iat= 548,1811, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:580    115 TYR  HN          5.00    (#    580:10  Single Ambig)
 &rst
  ixpk= 580, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844, 557, 558, 559,1949,1950,1951,1953,1954,
      1955,
 &end
#
#   34 ILE  HN          115 TYR  HN          4.00    (#    581:10  Unique         2.63, 3.10 A)
 &rst
  ixpk= 581, nxpk= 10, iat= 544,1811, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 HIS  HA          115 TYR  HN          4.00    (#    584:10  Unique         2.78, 2.94 A)
 &rst
  ixpk= 584, nxpk= 10, iat= 565,1811, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:585    115 TYR  HN          5.00    (#    585:10  Single Ambig)
 &rst
  ixpk= 585, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 527, 546,
 &end
#
#  114 TYR  HA          115 TYR  HN          3.00    (#    586:10  Unique         2.19, 2.20 A)
 &rst
  ixpk= 586, nxpk= 10, iat=1792,1811, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  115 TYR  HA          115 TYR  HN          4.00    (#    587:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 587, nxpk= 10, iat=1813,1811, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  115 TYR  HB-         115 TYR  HN          4.00    (#    588:10  Unique         2.18, 2.88 A)
 &rst
  ixpk= 588, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1815,1816,
 &end
#
#  115 TYR  HB+         115 TYR  HN          4.00    (#    589:10  Unique         2.18, 2.88 A)
 &rst
  ixpk= 589, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1815,1816,
 &end
#
#    0 AMB  10-2:590    115 TYR  HN          4.00    (#    590:10  Single Ambig)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1794,1795,2004,2005,
 &end
#
#  114 TYR  HB+         115 TYR  HN          5.00    (#    591:10  Unique         3.56, 3.94 A)
 &rst
  ixpk= 591, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1794,1795,
 &end
#
#   33 LEU  MDY         115 TYR  HN          4.00    (#    592:10  Unique         2.45, 4.75 A)
 &rst
  ixpk= 592, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#    0 AMB  10-2:593    115 TYR  HN          4.00    (#    593:10  Single Ambig)
 &rst
  ixpk= 593, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2144,2145,2146,2148,2149,2150,1949,1950,1951,1953,
      1954,1955,
 &end
#
#  102 LEU  HN          103 THR  HN          3.00    (#    598:10  Unique         2.52, 2.63 A)
 &rst
  ixpk= 598, nxpk= 10, iat=1610,1629, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  104 ASP  HN          103 THR  HN          4.00    (#    599:10  Unique         2.62, 2.72 A)
 &rst
  ixpk= 599, nxpk= 10, iat=1643,1629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:602    103 THR  HN          4.00    (#    602:10  Single Ambig)
 &rst
  ixpk= 602, nxpk= 10, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1585,1612,
 &end
#
#  103 THR  HA          103 THR  HN          3.00    (#    603:10  Unique         2.75, 2.79 A)
 &rst
  ixpk= 603, nxpk= 10, iat=1631,1629, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  103 THR  HB          103 THR  HN          4.00    (#    604:10  Unique         2.09, 2.77 A)
 &rst
  ixpk= 604, nxpk= 10, iat=1633,1629, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  102 LEU  HB-         103 THR  HN          4.00    (#    605:10  Unique         2.65, 3.60 A)
 &rst
  ixpk= 605, nxpk= 10, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1614,1615,
 &end
#
#    0 AMB  10-2:606    103 THR  HN          4.00    (#    606:10  Single Ambig)
 &rst
  ixpk= 606, nxpk= 10, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1635,1636,1637,1614,1615,
 &end
#
#  141 ASN  HN          140 VAL  HN          3.00    (#    608:10  Unique         2.21, 2.54 A)
 &rst
  ixpk= 608, nxpk= 10, iat=2231,2215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  139 ARG  HN          140 VAL  HN          3.00    (#    609:10  Unique         2.54, 2.77 A)
 &rst
  ixpk= 609, nxpk= 10, iat=2191,2215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:610    140 VAL  HN          4.00    (#    610:10  Single Ambig)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2245,2169,
 &end
#
#  138 LYS  HA          140 VAL  HN          5.00    (#    611:10  Unique         3.63, 3.96 A)
 &rst
  ixpk= 611, nxpk= 10, iat=2171,2215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  139 ARG  HA          140 VAL  HN          4.00    (#    612:10  Unique         3.49, 3.56 A)
 &rst
  ixpk= 612, nxpk= 10, iat=2193,2215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  136 LEU  HA          140 VAL  HN          5.00    (#    613:10  Unique         3.49, 3.90 A)
 &rst
  ixpk= 613, nxpk= 10, iat=2137,2215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  137 GLU  HA          140 VAL  HN          4.00    (#    614:10  Unique         3.43, 3.82 A)
 &rst
  ixpk= 614, nxpk= 10, iat=2156,2215, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  140 VAL  HA          140 VAL  HN          3.00    (#    615:10  Unique         2.77, 2.84 A)
 &rst
  ixpk= 615, nxpk= 10, iat=2217,2215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  140 VAL  HB          140 VAL  HN          3.00    (#    616:10  Unique         1.96, 2.12 A)
 &rst
  ixpk= 616, nxpk= 10, iat=2219,2215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  139 ARG  HB-         140 VAL  HN          3.00    (#    617:10  Unique         2.59, 3.30 A)
 &rst
  ixpk= 617, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2195,2196,
 &end
#
#  139 ARG  HB+         140 VAL  HN          4.00    (#    618:10  Unique         2.59, 3.30 A)
 &rst
  ixpk= 618, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2195,2196,
 &end
#
#    0 AMB  10-2:619    140 VAL  HN          4.00    (#    619:10  Single Ambig)
 &rst
  ixpk= 619, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#  140 VAL  MGX         140 VAL  HN          3.00    (#    620:10  Unique         2.18, 3.92 A)
 &rst
  ixpk= 620, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#   62 LEU  MDY         140 VAL  HN          5.00    (#    621:10  Unique         5.84, 6.98 A)
 &rst
  ixpk= 621, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1017,1018,1019,1021,1022,1023,
 &end
#
#  140 VAL  MGY         140 VAL  HN          3.00    (#    622:10  Unique         2.18, 3.92 A)
 &rst
  ixpk= 622, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#  136 LEU  MDY         140 VAL  HN          5.00    (#    623:10  Unique         2.73, 4.90 A)
 &rst
  ixpk= 623, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  10-2:624    140 VAL  HN          5.00    (#    624:10  Single Ambig)
 &rst
  ixpk= 624, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2235,2236,2201,2202,
 &end
#
#    0 AMB  10-2:625    140 VAL  HN          5.00    (#    625:10  Single Ambig)
 &rst
  ixpk= 625, nxpk= 10, iat=  -1,2215, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=2249,2250,2273,2158,2159,
 &end
#
#  142 ARG  HN          144 LEU  HN          5.00    (#    626:10  Unique         3.51, 3.75 A)
 &rst
  ixpk= 626, nxpk= 10, iat=2245,2285, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  145 ALA  HN          144 LEU  HN          3.00    (#    627:10  Unique         2.28, 2.53 A)
 &rst
  ixpk= 627, nxpk= 10, iat=2304,2285, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  143 VAL  HN          144 LEU  HN          3.00    (#    628:10  Unique         2.28, 2.49 A)
 &rst
  ixpk= 628, nxpk= 10, iat=2269,2285, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  141 ASN  HA          144 LEU  HN          4.00    (#    629:10  Unique         3.17, 3.38 A)
 &rst
  ixpk= 629, nxpk= 10, iat=2233,2285, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:630    144 LEU  HN          3.00    (#    630:10  Single Ambig)
 &rst
  ixpk= 630, nxpk= 10, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2287,2247,
 &end
#
#  143 VAL  HA          144 LEU  HN          4.00    (#    631:10  Unique         3.45, 3.53 A)
 &rst
  ixpk= 631, nxpk= 10, iat=2271,2285, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  140 VAL  HA          144 LEU  HN          5.00    (#    632:10  Unique         4.17, 4.72 A)
 &rst
  ixpk= 632, nxpk= 10, iat=2217,2285, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:633    144 LEU  HN          4.00    (#    633:10  Single Ambig)
 &rst
  ixpk= 633, nxpk= 10, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2273,2249,2250,
 &end
#
#  144 LEU  HB+         144 LEU  HN          3.00    (#    634:10  Unique         2.36, 3.02 A)
 &rst
  ixpk= 634, nxpk= 10, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2289,2290,
 &end
#
#  144 LEU  HG          144 LEU  HN          3.00    (#    636:10  Unique         2.05, 2.19 A)
 &rst
  ixpk= 636, nxpk= 10, iat=2292,2285, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  144 LEU  HB-         144 LEU  HN          3.00    (#    637:10  Unique         2.36, 3.02 A)
 &rst
  ixpk= 637, nxpk= 10, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2289,2290,
 &end
#
#    0 AMB  10-2:638    144 LEU  HN          3.00    (#    638:10  Single Ambig)
 &rst
  ixpk= 638, nxpk= 10, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#  144 LEU  MDX         144 LEU  HN          4.00    (#    639:10  Unique         3.44, 4.24 A)
 &rst
  ixpk= 639, nxpk= 10, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#  144 LEU  MDY         144 LEU  HN          4.00    (#    640:10  Unique         3.44, 4.24 A)
 &rst
  ixpk= 640, nxpk= 10, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  10-2:642    104 ASP  HN          4.00    (#    642:10  Single Ambig)
 &rst
  ixpk= 642, nxpk= 10, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1635,1636,1637,1614,1615,
 &end
#
#  103 THR  HN          104 ASP  HN          4.00    (#    643:10  Unique         2.62, 2.72 A)
 &rst
  ixpk= 643, nxpk= 10, iat=1629,1643, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  105 ALA  HN          104 ASP  HN          3.00    (#    645:10  Unique         2.04, 2.15 A)
 &rst
  ixpk= 645, nxpk= 10, iat=1655,1643, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  104 ASP  HA          104 ASP  HN          3.00    (#    646:10  Unique         2.85, 2.88 A)
 &rst
  ixpk= 646, nxpk= 10, iat=1645,1643, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:647    104 ASP  HN          4.00    (#    647:10  Single Ambig)
 &rst
  ixpk= 647, nxpk= 10, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1602,1657,
 &end
#
#    0 AMB  10-2:648    104 ASP  HN          4.00    (#    648:10  Single Ambig)
 &rst
  ixpk= 648, nxpk= 10, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1631,1687,
 &end
#
#  104 ASP  HB-         104 ASP  HN          3.00    (#    649:10  Unique         2.18, 2.80 A)
 &rst
  ixpk= 649, nxpk= 10, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1647,1648,
 &end
#
#  104 ASP  HB+         104 ASP  HN          3.00    (#    650:10  Unique         2.18, 2.80 A)
 &rst
  ixpk= 650, nxpk= 10, iat=  -1,1643, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1647,1648,
 &end
#
#  137 GLU  HN          136 LEU  HN          3.00    (#    651:10  Unique         2.29, 2.69 A)
 &rst
  ixpk= 651, nxpk= 10, iat=2154,2135, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  133 MET  HA          136 LEU  HN          4.00    (#    655:10  Unique         2.84, 3.23 A)
 &rst
  ixpk= 655, nxpk= 10, iat=2081,2135, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  136 LEU  HA          136 LEU  HN          3.00    (#    656:10  Unique         2.70, 2.80 A)
 &rst
  ixpk= 656, nxpk= 10, iat=2137,2135, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  135 MET  HB-         136 LEU  HN          5.00    (#    657:10  Unique         2.43, 3.41 A)
 &rst
  ixpk= 657, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2122,2123,
 &end
#
#  136 LEU  HB+         136 LEU  HN          3.00    (#    659:10  Unique         2.10, 2.50 A)
 &rst
  ixpk= 659, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2139,2140,
 &end
#
#  136 LEU  MDX         136 LEU  HN          4.00    (#    660:10  Unique         3.51, 5.06 A)
 &rst
  ixpk= 660, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  136 LEU  MDY         136 LEU  HN          4.00    (#    661:10  Unique         3.51, 5.06 A)
 &rst
  ixpk= 661, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  135 MET  HB+         136 LEU  HN          5.00    (#    662:10  Unique         2.43, 3.41 A)
 &rst
  ixpk= 662, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2122,2123,
 &end
#
#   37 TRP  HD1          67 VAL  HN          4.00    (#    663:10  Unique         2.09, 3.17 A)
 &rst
  ixpk= 663, nxpk= 10, iat= 608,1083, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 PHE  HA           67 VAL  HN          3.00    (#    664:10  Unique         2.24, 2.48 A)
 &rst
  ixpk= 664, nxpk= 10, iat= 582,1083, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   67 VAL  HA           67 VAL  HN          4.00    (#    665:10  Unique         2.92, 2.93 A)
 &rst
  ixpk= 665, nxpk= 10, iat=1085,1083, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   66 ALA  HA           67 VAL  HN          3.00    (#    666:10  Unique         2.22, 2.37 A)
 &rst
  ixpk= 666, nxpk= 10, iat=1075,1083, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   66 ALA  MB           67 VAL  HN          4.00    (#    667:10  Unique         2.61, 3.55 A)
 &rst
  ixpk= 667, nxpk= 10, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1077,1078,1079,
 &end
#
#   34 ILE  QG2          67 VAL  HN          5.00    (#    668:10  Unique         3.71, 5.36 A)
 &rst
  ixpk= 668, nxpk= 10, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 550, 551, 552,
 &end
#
#   67 VAL  HB           67 VAL  HN          4.00    (#    669:10  Unique         2.45, 2.85 A)
 &rst
  ixpk= 669, nxpk= 10, iat=1087,1083, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 VAL  MGY          67 VAL  HN          4.00    (#    670:10  Unique         1.94, 4.05 A)
 &rst
  ixpk= 670, nxpk= 10, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   67 VAL  MGX          67 VAL  HN          3.00    (#    671:10  Unique         1.94, 4.05 A)
 &rst
  ixpk= 671, nxpk= 10, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   35 HIS  HD2          67 VAL  HN          5.00    (#    672:10  Unique         3.42, 4.05 A)
 &rst
  ixpk= 672, nxpk= 10, iat= 576,1083, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 THR  HB          104 ASP  HN          5.00    (#    675:10  Unique         3.36, 3.72 A)
 &rst
  ixpk= 675, nxpk= 10, iat=1633,1643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 ARG  HN            5 GLN  HN          3.00    (#    677:10  Unique         1.77, 2.58 A)
 &rst
  ixpk= 677, nxpk= 10, iat=  62,  86, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  123 LEU  HN            5 GLN  HN          4.00    (#    678:10  Unique         2.75, 3.01 A)
 &rst
  ixpk= 678, nxpk= 10, iat=1940,  86, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  122 GLN  HA            5 GLN  HN          5.00    (#    681:10  Unique         4.56, 4.83 A)
 &rst
  ixpk= 681, nxpk= 10, iat=1925,  86, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 GLN  HA            5 GLN  HN          3.00    (#    682:10  Unique         2.78, 2.90 A)
 &rst
  ixpk= 682, 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    (#    683:10  Unique         2.48, 3.88 A)
 &rst
  ixpk= 683, 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    (#    684:10  Unique         2.95, 3.25 A)
 &rst
  ixpk= 684, nxpk= 10, iat=  45,  86, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    6 PRO  HD-           5 GLN  HN          5.00    (#    685:10  Unique         2.48, 3.88 A)
 &rst
  ixpk= 685, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 104, 105,
 &end
#
#    5 GLN  HG+           5 GLN  HN          3.00    (#    687:10  Unique         1.68, 3.00 A)
 &rst
  ixpk= 687, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  93,  94,
 &end
#
#    5 GLN  HB+           5 GLN  HN          3.00    (#    688:10  Unique         2.17, 3.24 A)
 &rst
  ixpk= 688, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  90,  91,
 &end
#
#    5 GLN  HB-           5 GLN  HN          3.00    (#    690:10  Unique         2.17, 3.24 A)
 &rst
  ixpk= 690, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  90,  91,
 &end
#
#  123 LEU  HB-           5 GLN  HN          3.00    (#    691:10  Unique         1.75, 2.20 A)
 &rst
  ixpk= 691, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1944,1945,
 &end
#
#    0 AMB  10-2:693      5 GLN  HN          5.00    (#    693:10  Single Ambig)
 &rst
  ixpk= 693, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  47,  48,  50,
 &end
#
#  123 LEU  HB+           5 GLN  HN          3.00    (#    694:10  Unique         1.75, 2.20 A)
 &rst
  ixpk= 694, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1944,1945,
 &end
#
#  123 LEU  HG            5 GLN  HN          4.00    (#    695:10  Unique         3.43, 3.91 A)
 &rst
  ixpk= 695, nxpk= 10, iat=1947,  86, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  123 LEU  MDX           5 GLN  HN          4.00    (#    696:10  Unique         2.18, 4.62 A)
 &rst
  ixpk= 696, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  10-2:697      5 GLN  HN          5.00    (#    697:10  Single Ambig)
 &rst
  ixpk= 697, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=  69,  70,  15,  16,  17,
 &end
#
#  123 LEU  MDY           5 GLN  HN          5.00    (#    698:10  Unique         2.18, 4.62 A)
 &rst
  ixpk= 698, nxpk= 10, iat=  -1,  86, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#   49 PRO  HA           53 GLU  HN          5.00    (#    699:10  Unique         3.76, 3.98 A)
 &rst
  ixpk= 699, nxpk= 10, iat= 797, 848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:700     53 GLU  HN          4.00    (#    700:10  Single Ambig)
 &rst
  ixpk= 700, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 867, 868, 820,
 &end
#
#   54 PHE  HN           53 GLU  HN          3.00    (#    701:10  Unique         2.51, 2.64 A)
 &rst
  ixpk= 701, nxpk= 10, iat= 863, 848, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   52 ASN  HA           53 GLU  HN          4.00    (#    702:10  Unique         3.59, 3.61 A)
 &rst
  ixpk= 702, nxpk= 10, iat= 836, 848, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:703      0 AMB  10-1:703    5.00    (#    703:10  Double Ambig)
 &rst
  ixpk= 703, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1253,1254,1431, 885, 788, 789,
 igr2=1240, 848,
 &end
#
#   77 ASP  HB+          77 ASP  HN          3.00    (#    704:10  Unique         2.01, 2.65 A)
 &rst
  ixpk= 704, nxpk= 10, iat=  -1,1240, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1244,1245,
 &end
#
#   77 ASP  HB-          77 ASP  HN          3.00    (#    705:10  Unique         2.01, 2.65 A)
 &rst
  ixpk= 705, nxpk= 10, iat=  -1,1240, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1244,1245,
 &end
#
#    0 AMB  10-2:706     77 ASP  HN          4.00    (#    706:10  Single Ambig)
 &rst
  ixpk= 706, nxpk= 10, iat=  -1,1240, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1225,1226,1277,1278,
 &end
#
#    0 AMB  10-2:707     77 ASP  HN          4.00    (#    707:10  Single Ambig)
 &rst
  ixpk= 707, nxpk= 10, iat=  -1,1240, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1228,1283,1284,
 &end
#
#    0 AMB  10-2:708      0 AMB  10-1:708    5.00    (#    708:10  Double Ambig)
 &rst
  ixpk= 708, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1280,1281, 929, 930,2090,2091,2092, 645, 646,
 igr2=1240, 848,
 &end
#
#   76 LEU  MDY          77 ASP  HN          5.00    (#    710:10  Unique         2.21, 5.03 A)
 &rst
  ixpk= 710, nxpk= 10, iat=  -1,1240, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1230,1231,1232,1234,1235,1236,
 &end
#
#   76 LEU  MDX          77 ASP  HN          5.00    (#    711:10  Unique         2.21, 5.03 A)
 &rst
  ixpk= 711, nxpk= 10, iat=  -1,1240, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1230,1231,1232,1234,1235,1236,
 &end
#
#   76 LEU  HN           77 ASP  HN          3.00    (#    712:10  Unique         1.95, 2.60 A)
 &rst
  ixpk= 712, nxpk= 10, iat=1221,1240, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:714     77 ASP  HN          4.00    (#    714:10  Single Ambig)
 &rst
  ixpk= 714, nxpk= 10, iat=  -1,1240, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1225,1226,1280,1281,
 &end
#
#  135 MET  HN          136 LEU  HN          3.00    (#    715:10  Unique         2.15, 2.48 A)
 &rst
  ixpk= 715, nxpk= 10, iat=2118,2135, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  135 MET  HA          136 LEU  HN          4.00    (#    716:10  Unique         3.38, 3.56 A)
 &rst
  ixpk= 716, nxpk= 10, iat=2120,2135, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  135 MET  ME          136 LEU  HN          3.00    (#    717:10  Unique         2.58, 3.81 A)
 &rst
  ixpk= 717, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2129,2130,2131,
 &end
#
#  136 LEU  HB-         136 LEU  HN          3.00    (#    719:10  Unique         2.10, 2.50 A)
 &rst
  ixpk= 719, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2139,2140,
 &end
#
#   52 ASN  HN           54 PHE  HN          5.00    (#    724:10  Unique         4.04, 4.14 A)
 &rst
  ixpk= 724, nxpk= 10, iat= 834, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 ARG  HN           54 PHE  HN          3.00    (#    725:10  Unique         2.66, 2.79 A)
 &rst
  ixpk= 725, nxpk= 10, iat= 883, 863, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   56 ASP  HN           54 PHE  HN          5.00    (#    726:10  Unique         4.36, 4.64 A)
 &rst
  ixpk= 726, nxpk= 10, iat= 907, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 GLU  HN           54 PHE  HN          3.00    (#    727:10  Unique         2.51, 2.64 A)
 &rst
  ixpk= 727, nxpk= 10, iat= 848, 863, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   54 PHE  HD           54 PHE  HN          4.00    (#    728:10  Unique         2.80, 4.44 A)
 &rst
  ixpk= 728, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 871, 879,
 &end
#
#   54 PHE  HA           54 PHE  HN          3.00    (#    729:10  Unique         2.73, 2.76 A)
 &rst
  ixpk= 729, nxpk= 10, iat= 865, 863, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   52 ASN  HA           54 PHE  HN          5.00    (#    730:10  Unique         4.69, 4.81 A)
 &rst
  ixpk= 730, nxpk= 10, iat= 836, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:731     54 PHE  HN          4.00    (#    731:10  Single Ambig)
 &rst
  ixpk= 731, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 803, 850,
 &end
#
#   54 PHE  HB-          54 PHE  HN          3.00    (#    732:10  Unique         1.90, 2.39 A)
 &rst
  ixpk= 732, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 867, 868,
 &end
#
#   54 PHE  HB+          54 PHE  HN          3.00    (#    733:10  Unique         1.90, 2.39 A)
 &rst
  ixpk= 733, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 867, 868,
 &end
#
#   53 GLU  HG+          54 PHE  HN          5.00    (#    734:10  Unique         1.86, 2.23 A)
 &rst
  ixpk= 734, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 855, 856,
 &end
#
#   53 GLU  HB-          54 PHE  HN          4.00    (#    735:10  Unique         2.79, 3.74 A)
 &rst
  ixpk= 735, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 852, 853,
 &end
#
#   53 GLU  HB+          54 PHE  HN          4.00    (#    736:10  Unique         2.79, 3.74 A)
 &rst
  ixpk= 736, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 852, 853,
 &end
#
#    0 AMB  10-2:737     54 PHE  HN          5.00    (#    737:10  Single Ambig)
 &rst
  ixpk= 737, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 923, 924, 887, 888,
 &end
#
#    0 AMB  10-2:738     54 PHE  HN          5.00    (#    738:10  Single Ambig)
 &rst
  ixpk= 738, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=2090,2091,2092, 929, 930, 923, 924,
 &end
#
#   52 ASN  HN           53 GLU  HN          3.00    (#    739:10  Unique         2.45, 2.54 A)
 &rst
  ixpk= 739, nxpk= 10, iat= 834, 848, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:740     53 GLU  HN          3.00    (#    740:10  Single Ambig)
 &rst
  ixpk= 740, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 850, 803,
 &end
#
#   53 GLU  HG+          53 GLU  HN          4.00    (#    741:10  Unique         1.80, 2.99 A)
 &rst
  ixpk= 741, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 855, 856,
 &end
#
#   53 GLU  HB-          53 GLU  HN          3.00    (#    742:10  Unique         2.04, 2.94 A)
 &rst
  ixpk= 742, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 852, 853,
 &end
#
#   53 GLU  HB+          53 GLU  HN          3.00    (#    743:10  Unique         2.04, 2.94 A)
 &rst
  ixpk= 743, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 852, 853,
 &end
#
#   30 LYS  HN           29 GLU  HN          3.00    (#    744:10  Unique         1.74, 1.96 A)
 &rst
  ixpk= 744, nxpk= 10, iat= 475, 460, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:748     29 GLU  HN          3.00    (#    748:10  Single Ambig)
 &rst
  ixpk= 748, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 462, 455, 456,
 &end
#
#   28 GLY  HA+          29 GLU  HN          4.00    (#    749:10  Unique         2.30, 3.27 A)
 &rst
  ixpk= 749, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 455, 456,
 &end
#
#   29 GLU  HG-          29 GLU  HN          5.00    (#    750:10  Unique         2.66, 4.30 A)
 &rst
  ixpk= 750, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 467, 468,
 &end
#
#   29 GLU  HG+          29 GLU  HN          5.00    (#    751:10  Unique         2.66, 4.30 A)
 &rst
  ixpk= 751, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 467, 468,
 &end
#
#   29 GLU  HB+          29 GLU  HN          4.00    (#    752:10  Unique         2.64, 3.49 A)
 &rst
  ixpk= 752, 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    (#    753:10  Unique         2.64, 3.49 A)
 &rst
  ixpk= 753, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 464, 465,
 &end
#
#    0 AMB  10-2:754     29 GLU  HN          4.00    (#    754:10  Single Ambig)
 &rst
  ixpk= 754, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1884,1885, 479, 480,
 &end
#
#    0 AMB  10-2:755     29 GLU  HN          5.00    (#    755:10  Single Ambig)
 &rst
  ixpk= 755, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1884,1885, 482, 483, 485, 486,
 &end
#
#   27 ILE  HA           29 GLU  HN          4.00    (#    756:10  Unique         3.36, 3.71 A)
 &rst
  ixpk= 756, nxpk= 10, iat= 436, 460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 HIS  HN           87 GLU  HN          3.00    (#    758:10  Unique         2.00, 2.24 A)
 &rst
  ixpk= 758, nxpk= 10, iat=1400,1385, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   87 GLU  HA           87 GLU  HN          3.00    (#    759:10  Unique         2.84, 2.89 A)
 &rst
  ixpk= 759, nxpk= 10, iat=1387,1385, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   87 GLU  HG+          87 GLU  HN          3.00    (#    760:10  Unique         2.85, 3.55 A)
 &rst
  ixpk= 760, nxpk= 10, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1392,1393,
 &end
#
#   87 GLU  HB-          87 GLU  HN          3.00    (#    761:10  Unique         2.12, 2.90 A)
 &rst
  ixpk= 761, nxpk= 10, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1389,1390,
 &end
#
#   86 ALA  MB           87 GLU  HN          3.00    (#    762:10  Unique         2.96, 3.84 A)
 &rst
  ixpk= 762, nxpk= 10, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1379,1380,1381,
 &end
#
#   83 GLU  HA           87 GLU  HN          5.00    (#    763:10  Unique         3.99, 4.20 A)
 &rst
  ixpk= 763, nxpk= 10, iat=1338,1385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 ILE  HB           94 ILE  HN          4.00    (#    767:10  Unique         2.41, 2.59 A)
 &rst
  ixpk= 767, nxpk= 10, iat=1497,1493, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:768     94 ILE  HN          4.00    (#    768:10  Single Ambig)
 &rst
  ixpk= 768, nxpk= 10, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 309, 310, 297, 298,
 &end
#
#    0 AMB  10-2:770     14 LYS  HN          4.00    (#    770:10  Single Ambig)
 &rst
  ixpk= 770, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1560, 240,
 &end
#
#   14 LYS  HB-          14 LYS  HN          4.00    (#    773:10  Unique         2.39, 3.24 A)
 &rst
  ixpk= 773, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 222, 223,
 &end
#
#   14 LYS  HA           14 LYS  HN          5.00    (#    774:10  Unique         2.21, 2.74 A)
 &rst
  ixpk= 774, nxpk= 10, iat= 220, 218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LEU  MDY          82 LYS  HN          5.00    (#    775:10  Unique         2.74, 4.59 A)
 &rst
  ixpk= 775, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#   79 GLY  HN           82 LYS  HN          5.00    (#    776:10  Unique         4.75, 4.87 A)
 &rst
  ixpk= 776, nxpk= 10, iat=1266,1314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 ILE  HN           82 LYS  HN          4.00    (#    778:10  Unique         2.74, 2.95 A)
 &rst
  ixpk= 778, nxpk= 10, iat=1295,1314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 LYS  HN           82 LYS  HN          5.00    (#    779:10  Unique         3.66, 4.02 A)
 &rst
  ixpk= 779, nxpk= 10, iat=1273,1314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 LYS  HA           82 LYS  HN          3.00    (#    780:10  Unique         2.68, 2.74 A)
 &rst
  ixpk= 780, nxpk= 10, iat=1316,1314, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   81 ILE  HA           82 LYS  HN          5.00    (#    781:10  Unique         3.56, 3.61 A)
 &rst
  ixpk= 781, nxpk= 10, iat=1297,1314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 LYS  HB+          82 LYS  HN          3.00    (#    782:10  Unique         2.01, 2.59 A)
 &rst
  ixpk= 782, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1318,1319,
 &end
#
#   82 LYS  HB-          82 LYS  HN          3.00    (#    783:10  Unique         2.01, 2.59 A)
 &rst
  ixpk= 783, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1318,1319,
 &end
#
#    0 AMB  10-2:784     82 LYS  HN          5.00    (#    784:10  Single Ambig)
 &rst
  ixpk= 784, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1277,1278,1256,1257,
 &end
#
#   82 LYS  HD+          82 LYS  HN          4.00    (#    785:10  Unique         3.10, 4.44 A)
 &rst
  ixpk= 785, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1324,1325,
 &end
#
#    0 AMB  10-2:787     82 LYS  HN          3.00    (#    787:10  Single Ambig)
 &rst
  ixpk= 787, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1299,1321,1322,
 &end
#
#   81 ILE  HG1+         82 LYS  HN          5.00    (#    788:10  Unique         4.20, 4.88 A)
 &rst
  ixpk= 788, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1305,1306,
 &end
#
#   17 LEU  MDX          82 LYS  HN          4.00    (#    789:10  Unique         2.74, 4.59 A)
 &rst
  ixpk= 789, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#   81 ILE  QG2          82 LYS  HN          4.00    (#    790:10  Unique         2.97, 4.12 A)
 &rst
  ixpk= 790, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1301,1302,1303,
 &end
#
#   81 ILE  QD1          82 LYS  HN          5.00    (#    791:10  Unique         4.56, 5.33 A)
 &rst
  ixpk= 791, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1308,1309,1310,
 &end
#
#   85 ALA  HN           87 GLU  HN          5.00    (#    793:10  Unique         3.57, 3.80 A)
 &rst
  ixpk= 793, nxpk= 10, iat=1365,1385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:794     87 GLU  HN          4.00    (#    794:10  Single Ambig)
 &rst
  ixpk= 794, nxpk= 10, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1353,1377,
 &end
#
#   90 ILE  HG1-         87 GLU  HN          5.00    (#    796:10  Unique         4.53, 5.72 A)
 &rst
  ixpk= 796, nxpk= 10, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1439,1440,
 &end
#
#  136 LEU  HN          135 MET  HN          4.00    (#    797:10  Unique         2.15, 2.48 A)
 &rst
  ixpk= 797, nxpk= 10, iat=2135,2118, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  135 MET  HA          135 MET  HN          3.00    (#    800:10  Unique         2.65, 2.82 A)
 &rst
  ixpk= 800, nxpk= 10, iat=2120,2118, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  135 MET  HB-         135 MET  HN          5.00    (#    801:10  Unique         2.20, 2.65 A)
 &rst
  ixpk= 801, nxpk= 10, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2122,2123,
 &end
#
#    0 AMB  10-2:802    135 MET  HN          4.00    (#    802:10  Single Ambig)
 &rst
  ixpk= 802, nxpk= 10, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=2129,2130,2131,2158,2159,
 &end
#
#    0 AMB  10-2:805     82 LYS  HN          4.00    (#    805:10  Single Ambig)
 &rst
  ixpk= 805, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1259,1260,1340,1341,
 &end
#
#  123 LEU  HN          122 GLN  HN          5.00    (#    807:10  Unique         4.20, 4.40 A)
 &rst
  ixpk= 807, nxpk= 10, iat=1940,1923, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:808    122 GLN  HN          3.00    (#    808:10  Single Ambig)
 &rst
  ixpk= 808, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1916,1868,
 &end
#
#  120 THR  HN          122 GLN  HN          4.00    (#    809:10  Unique         3.25, 3.51 A)
 &rst
  ixpk= 809, nxpk= 10, iat=1902,1923, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  122 GLN  HA          122 GLN  HN          3.00    (#    812:10  Unique         2.82, 2.89 A)
 &rst
  ixpk= 812, nxpk= 10, iat=1925,1923, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:814    122 GLN  HN          5.00    (#    814:10  Single Ambig)
 &rst
  ixpk= 814, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1942,  64,
 &end
#
#    0 AMB  10-2:815      0 AMB  10-1:815    4.00    (#    815:10  Double Ambig)
 &rst
  ixpk= 815, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1918,1919,1633,
 igr2=1923,1685,
 &end
#
#  117 PHE  HB-         122 GLN  HN          5.00    (#    816:10  Unique         2.66, 3.97 A)
 &rst
  ixpk= 816, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1852,1853,
 &end
#
#  122 GLN  HG-         122 GLN  HN          3.00    (#    817:10  Unique         2.39, 3.35 A)
 &rst
  ixpk= 817, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1930,1931,
 &end
#
#    0 AMB  10-2:818    122 GLN  HN          3.00    (#    818:10  Single Ambig)
 &rst
  ixpk= 818, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1927,1928,1930,1931,
 &end
#
#  122 GLN  HB+         122 GLN  HN          3.00    (#    819:10  Unique         2.16, 3.08 A)
 &rst
  ixpk= 819, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1927,1928,
 &end
#
#    0 AMB  10-2:820      0 AMB  10-1:820    5.00    (#    820:10  Double Ambig)
 &rst
  ixpk= 820, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 128, 129, 130,1617,
 igr2=1923,1685,
 &end
#
#  120 THR  MG2         122 GLN  HN          5.00    (#    821:10  Unique         1.92, 3.95 A)
 &rst
  ixpk= 821, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1908,1909,1910,
 &end
#
#  117 PHE  HA          122 GLN  HN          5.00    (#    822:10  Unique         3.40, 4.07 A)
 &rst
  ixpk= 822, nxpk= 10, iat=1850,1923, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 THR  HN           86 ALA  HN          5.00    (#    823:10  Unique         3.57, 4.05 A)
 &rst
  ixpk= 823, nxpk= 10, iat=1351,1375, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 THR  HB           86 ALA  HN          5.00    (#    824:10  Unique         4.70, 4.98 A)
 &rst
  ixpk= 824, nxpk= 10, iat=1355,1375, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 HIS  HN           86 ALA  HN          5.00    (#    825:10  Unique         3.61, 4.00 A)
 &rst
  ixpk= 825, nxpk= 10, iat=1400,1375, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:826     86 ALA  HN          5.00    (#    826:10  Single Ambig)
 &rst
  ixpk= 826, nxpk= 10, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1389,1390,1340,1341,
 &end
#
#   85 ALA  HN           86 ALA  HN          3.00    (#    827:10  Unique         2.25, 2.51 A)
 &rst
  ixpk= 827, nxpk= 10, iat=1365,1375, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 ALA  HA           86 ALA  HN          3.00    (#    829:10  Unique         2.68, 2.81 A)
 &rst
  ixpk= 829, nxpk= 10, iat=1377,1375, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   83 GLU  HA           86 ALA  HN          4.00    (#    830:10  Unique         2.91, 3.25 A)
 &rst
  ixpk= 830, nxpk= 10, iat=1338,1375, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:831     86 ALA  HN          4.00    (#    831:10  Single Ambig)
 &rst
  ixpk= 831, nxpk= 10, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1316,1367,
 &end
#
#   85 ALA  MB           86 ALA  HN          3.00    (#    832:10  Unique         2.32, 3.56 A)
 &rst
  ixpk= 832, nxpk= 10, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1369,1370,1371,
 &end
#
#   86 ALA  MB           86 ALA  HN          3.00    (#    833:10  Unique         2.21, 2.82 A)
 &rst
  ixpk= 833, nxpk= 10, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1379,1380,1381,
 &end
#
#  128 ALA  HA          127 GLN  HN          5.00    (#    837:10  Unique         4.59, 4.87 A)
 &rst
  ixpk= 837, nxpk= 10, iat=2039,2020, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  114 TYR  HB+         127 GLN  HN          5.00    (#    838:10  Unique         2.94, 4.20 A)
 &rst
  ixpk= 838, nxpk= 10, iat=  -1,2020, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1794,1795,
 &end
#
#  135 MET  HB+         135 MET  HN          4.00    (#    839:10  Unique         2.20, 2.65 A)
 &rst
  ixpk= 839, nxpk= 10, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2122,2123,
 &end
#
#   50 GLN  HE2-        135 MET  HN          5.00    (#    840:10  Unique         4.48, 5.48 A)
 &rst
  ixpk= 840, nxpk= 10, iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 813, 814,
 &end
#
#  125 HIS  HD2         127 GLN  HN          5.00    (#    841:10  Unique         2.83, 3.37 A)
 &rst
  ixpk= 841, nxpk= 10, iat=1996,2020, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  144 LEU  HN          145 ALA  HN          3.00    (#    843:10  Unique         2.28, 2.53 A)
 &rst
  ixpk= 843, nxpk= 10, iat=2285,2304, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  145 ALA  HA          145 ALA  HN          3.00    (#    844:10  Unique         2.83, 2.86 A)
 &rst
  ixpk= 844, nxpk= 10, iat=2306,2304, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:845    145 ALA  HN          3.00    (#    845:10  Single Ambig)
 &rst
  ixpk= 845, nxpk= 10, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2247,2287,
 &end
#
#  143 VAL  HA          145 ALA  HN          5.00    (#    846:10  Unique         4.16, 4.29 A)
 &rst
  ixpk= 846, nxpk= 10, iat=2271,2304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  144 LEU  HB+         145 ALA  HN          3.00    (#    848:10  Unique         2.59, 3.31 A)
 &rst
  ixpk= 848, nxpk= 10, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2289,2290,
 &end
#
#  144 LEU  HG          145 ALA  HN          5.00    (#    850:10  Unique         4.18, 4.32 A)
 &rst
  ixpk= 850, nxpk= 10, iat=2292,2304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:851    145 ALA  HN          3.00    (#    851:10  Single Ambig)
 &rst
  ixpk= 851, nxpk= 10, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=2308,2309,2310,2289,2290,
 &end
#
#    0 AMB  10-2:852    145 ALA  HN          5.00    (#    852:10  Single Ambig)
 &rst
  ixpk= 852, nxpk= 10, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#  144 LEU  MDX         145 ALA  HN          5.00    (#    853:10  Unique         4.46, 5.69 A)
 &rst
  ixpk= 853, nxpk= 10, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#  144 LEU  MDY         145 ALA  HN          4.00    (#    855:10  Unique         4.46, 5.69 A)
 &rst
  ixpk= 855, nxpk= 10, iat=  -1,2304, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#   47 ALA  MB           48 MET  HN          4.00    (#    856:10  Unique         2.99, 3.79 A)
 &rst
  ixpk= 856, nxpk= 10, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 764, 765, 766,
 &end
#
#   47 ALA  HA           48 MET  HN          4.00    (#    857:10  Unique         3.44, 3.51 A)
 &rst
  ixpk= 857, nxpk= 10, iat= 762, 770, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 MET  HA           48 MET  HN          3.00    (#    858:10  Unique         2.65, 2.70 A)
 &rst
  ixpk= 858, nxpk= 10, iat= 772, 770, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   49 PRO  HD+          48 MET  HN          4.00    (#    859:10  Unique         2.27, 2.56 A)
 &rst
  ixpk= 859, nxpk= 10, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 788, 789,
 &end
#
#   49 PRO  HD-          48 MET  HN          4.00    (#    860:10  Unique         2.27, 2.56 A)
 &rst
  ixpk= 860, nxpk= 10, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 788, 789,
 &end
#
#   48 MET  HB+          48 MET  HN          3.00    (#    863:10  Unique         1.97, 2.64 A)
 &rst
  ixpk= 863, nxpk= 10, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 774, 775,
 &end
#
#    0 AMB  10-2:868     52 ASN  HN          3.00    (#    868:10  Single Ambig)
 &rst
  ixpk= 868, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 818, 848,
 &end
#
#   50 GLN  HN           52 ASN  HN          4.00    (#    869:10  Unique         4.00, 4.08 A)
 &rst
  ixpk= 869, nxpk= 10, iat= 801, 834, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   52 ASN  HD2+         52 ASN  HN          5.00    (#    870:10  Unique         2.69, 3.54 A)
 &rst
  ixpk= 870, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 843, 844,
 &end
#
#   48 MET  HA           52 ASN  HN          5.00    (#    871:10  Unique         4.33, 4.45 A)
 &rst
  ixpk= 871, nxpk= 10, iat= 772, 834, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 PRO  HA           52 ASN  HN          5.00    (#    872:10  Unique         3.15, 3.27 A)
 &rst
  ixpk= 872, nxpk= 10, iat= 797, 834, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 ASN  HA           52 ASN  HN          3.00    (#    873:10  Unique         2.76, 2.79 A)
 &rst
  ixpk= 873, nxpk= 10, iat= 836, 834, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:874     52 ASN  HN          4.00    (#    874:10  Single Ambig)
 &rst
  ixpk= 874, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 803, 850,
 &end
#
#   52 ASN  HB+          52 ASN  HN          3.00    (#    875:10  Unique         2.03, 2.79 A)
 &rst
  ixpk= 875, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 838, 839,
 &end
#
#    0 AMB  10-2:876     52 ASN  HN          5.00    (#    876:10  Single Ambig)
 &rst
  ixpk= 876, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 805, 806, 774, 775, 808, 809,
 &end
#
#   51 VAL  HB           52 ASN  HN          4.00    (#    877:10  Unique         2.88, 3.34 A)
 &rst
  ixpk= 877, nxpk= 10, iat= 822, 834, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 VAL  MGY          52 ASN  HN          4.00    (#    878:10  Unique         2.04, 4.23 A)
 &rst
  ixpk= 878, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#   51 VAL  MGX          52 ASN  HN          4.00    (#    879:10  Unique         2.04, 4.23 A)
 &rst
  ixpk= 879, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#    0 AMB  10-2:880     52 ASN  HN          4.00    (#    880:10  Single Ambig)
 &rst
  ixpk= 880, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 820, 867, 868,
 &end
#
#   75 ASP  HN           74 ASP  HN          3.00    (#    881:10  Unique         2.19, 2.58 A)
 &rst
  ixpk= 881, nxpk= 10, iat=1209,1197, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   74 ASP  HA           74 ASP  HN          3.00    (#    886:10  Unique         2.64, 2.79 A)
 &rst
  ixpk= 886, nxpk= 10, iat=1199,1197, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   72 SER  HB-          74 ASP  HN          3.00    (#    888:10  Unique         1.96, 2.97 A)
 &rst
  ixpk= 888, nxpk= 10, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1175,1176,
 &end
#
#   72 SER  HB+          74 ASP  HN          4.00    (#    889:10  Unique         1.96, 2.97 A)
 &rst
  ixpk= 889, nxpk= 10, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1175,1176,
 &end
#
#   74 ASP  HB+          74 ASP  HN          4.00    (#    890:10  Unique         2.03, 2.89 A)
 &rst
  ixpk= 890, nxpk= 10, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1201,1202,
 &end
#
#   74 ASP  HB-          74 ASP  HN          3.00    (#    891:10  Unique         2.03, 2.89 A)
 &rst
  ixpk= 891, nxpk= 10, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1201,1202,
 &end
#
#   83 GLU  HA           83 GLU  HN          3.00    (#    894:10  Unique         2.73, 2.79 A)
 &rst
  ixpk= 894, nxpk= 10, iat=1338,1336, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   82 LYS  HA           83 GLU  HN          4.00    (#    895:10  Unique         3.60, 3.63 A)
 &rst
  ixpk= 895, nxpk= 10, iat=1316,1336, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 GLU  HG-          83 GLU  HN          4.00    (#    896:10  Unique         3.56, 4.18 A)
 &rst
  ixpk= 896, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1343,1344,
 &end
#
#   83 GLU  HB+          83 GLU  HN          4.00    (#    897:10  Unique         2.02, 2.58 A)
 &rst
  ixpk= 897, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1340,1341,
 &end
#
#   83 GLU  HB-          83 GLU  HN          3.00    (#    898:10  Unique         2.02, 2.58 A)
 &rst
  ixpk= 898, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1340,1341,
 &end
#
#   82 LYS  HB+          83 GLU  HN          3.00    (#    899:10  Unique         2.18, 3.00 A)
 &rst
  ixpk= 899, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1318,1319,
 &end
#
#   82 LYS  HB-          83 GLU  HN          3.00    (#    900:10  Unique         2.18, 3.00 A)
 &rst
  ixpk= 900, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1318,1319,
 &end
#
#   85 ALA  HN           83 GLU  HN          5.00    (#    901:10  Unique         3.84, 4.19 A)
 &rst
  ixpk= 901, nxpk= 10, iat=1365,1336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 THR  HN           83 GLU  HN          3.00    (#    903:10  Unique         2.47, 2.66 A)
 &rst
  ixpk= 903, nxpk= 10, iat=1351,1336, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 THR  HB           83 GLU  HN          5.00    (#    904:10  Unique         4.09, 4.41 A)
 &rst
  ixpk= 904, nxpk= 10, iat=1355,1336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 LYS  HD+          83 GLU  HN          5.00    (#    905:10  Unique         2.30, 4.53 A)
 &rst
  ixpk= 905, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1324,1325,
 &end
#
#    0 AMB  10-2:906     83 GLU  HN          4.00    (#    906:10  Single Ambig)
 &rst
  ixpk= 906, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1321,1322,1321,1322,1379,1380,1381,1299,
 &end
#
#    0 AMB  10-2:907     83 GLU  HN          5.00    (#    907:10  Single Ambig)
 &rst
  ixpk= 907, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 283, 284, 285, 287, 288, 289, 648, 649, 650,
 &end
#
#  104 ASP  HN          107 GLU  HN          5.00    (#    912:10  Unique         3.35, 3.81 A)
 &rst
  ixpk= 912, nxpk= 10, iat=1643,1685, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:913      0 AMB  10-1:913    3.00    (#    913:10  Double Ambig)
 &rst
  ixpk= 913, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1689,1690,1692,1693,1966,1967, 107, 108,
 igr2=1685,1923,
 &end
#
#  102 LEU  HB+         107 GLU  HN          5.00    (#    914:10  Unique         4.31, 5.41 A)
 &rst
  ixpk= 914, nxpk= 10, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1614,1615,
 &end
#
#  106 PHE  HN          107 GLU  HN          3.00    (#    915:10  Unique         1.87, 2.11 A)
 &rst
  ixpk= 915, nxpk= 10, iat=1665,1685, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  108 ASN  HN          107 GLU  HN          3.00    (#    916:10  Unique         2.34, 2.58 A)
 &rst
  ixpk= 916, nxpk= 10, iat=1700,1685, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  122 GLN  HE2-        122 GLN  HN          5.00    (#    917:10  Unique         3.70, 5.43 A)
 &rst
  ixpk= 917, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1935,1936,
 &end
#
#    0 AMB  10-2:918      0 AMB  10-1:918    4.00    (#    918:10  Double Ambig)
 &rst
  ixpk= 918, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1645, 507,
 igr2=1685,1923,
 &end
#
#    0 AMB  10-2:919    107 GLU  HN          3.00    (#    919:10  Single Ambig)
 &rst
  ixpk= 919, nxpk= 10, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1631,1687,
 &end
#
#    0 AMB  10-2:921      0 AMB  10-1:921    4.00    (#    921:10  Double Ambig)
 &rst
  ixpk= 921, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1669,1670,1852,1853,
 igr2=1685,1923,
 &end
#
#  106 PHE  HB+         107 GLU  HN          4.00    (#    922:10  Unique         2.58, 3.28 A)
 &rst
  ixpk= 922, nxpk= 10, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1669,1670,
 &end
#
#   60 ASP  HN           62 LEU  HN          4.00    (#    924:10  Unique         2.30, 3.87 A)
 &rst
  ixpk= 924, nxpk= 10, iat= 979,1008, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   62 LEU  HG           62 LEU  HN          5.00    (#    929:10  Unique         3.07, 3.84 A)
 &rst
  ixpk= 929, nxpk= 10, iat=1015,1008, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LYS  HD+          62 LEU  HN          5.00    (#    930:10  Unique         3.76, 5.45 A)
 &rst
  ixpk= 930, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 485, 486,
 &end
#
#    0 AMB  10-2:931      0 AMB  10-1:931    5.00    (#    931:10  Double Ambig)
 &rst
  ixpk= 931, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 479, 480,1784,1785,1786,
 igr2=1008,2020,
 &end
#
#  114 TYR  HN          127 GLN  HN          4.00    (#    932:10  Unique         3.09, 3.39 A)
 &rst
  ixpk= 932, nxpk= 10, iat=1790,2020, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  136 LEU  MDX         127 GLN  HN          5.00    (#    934:10  Unique         2.80, 5.83 A)
 &rst
  ixpk= 934, nxpk= 10, iat=  -1,2020, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  128 ALA  HN          127 GLN  HN          5.00    (#    935:10  Unique         4.21, 4.42 A)
 &rst
  ixpk= 935, nxpk= 10, iat=2037,2020, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  126 PHE  HN          127 GLN  HN          5.00    (#    936:10  Unique         3.89, 4.11 A)
 &rst
  ixpk= 936, nxpk= 10, iat=2000,2020, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  126 PHE  HA          127 GLN  HN          3.00    (#    938:10  Unique         2.19, 2.21 A)
 &rst
  ixpk= 938, nxpk= 10, iat=2002,2020, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  115 TYR  HA          127 GLN  HN          4.00    (#    939:10  Unique         3.01, 3.44 A)
 &rst
  ixpk= 939, nxpk= 10, iat=1813,2020, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  127 GLN  HA          127 GLN  HN          3.00    (#    940:10  Unique         2.88, 2.91 A)
 &rst
  ixpk= 940, nxpk= 10, iat=2022,2020, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:941    127 GLN  HN          4.00    (#    941:10  Single Ambig)
 &rst
  ixpk= 941, nxpk= 10, iat=  -1,2020, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1794,1795,2004,2005,
 &end
#
#  127 GLN  HB-         127 GLN  HN          3.00    (#    942:10  Unique         2.44, 2.94 A)
 &rst
  ixpk= 942, nxpk= 10, iat=  -1,2020, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2024,2025,
 &end
#
#  128 ALA  MB          127 GLN  HN          5.00    (#    943:10  Unique         4.80, 5.83 A)
 &rst
  ixpk= 943, nxpk= 10, iat=  -1,2020, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2041,2042,2043,
 &end
#
#  140 VAL  HN          142 ARG  HN          5.00    (#    946:10  Unique         3.41, 3.68 A)
 &rst
  ixpk= 946, nxpk= 10, iat=2215,2245, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  141 ASN  HN          142 ARG  HN          3.00    (#    947:10  Unique         2.41, 2.56 A)
 &rst
  ixpk= 947, nxpk= 10, iat=2231,2245, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  144 LEU  HN          142 ARG  HN          5.00    (#    948:10  Unique         3.51, 3.75 A)
 &rst
  ixpk= 948, nxpk= 10, iat=2285,2245, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  141 ASN  HA          142 ARG  HN          4.00    (#    950:10  Unique         3.43, 3.45 A)
 &rst
  ixpk= 950, nxpk= 10, iat=2233,2245, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  142 ARG  HA          142 ARG  HN          3.00    (#    951:10  Unique         2.82, 2.84 A)
 &rst
  ixpk= 951, nxpk= 10, iat=2247,2245, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  138 LYS  HA          142 ARG  HN          5.00    (#    952:10  Unique         3.99, 4.55 A)
 &rst
  ixpk= 952, nxpk= 10, iat=2171,2245, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:953      0 AMB  10-1:953    3.00    (#    953:10  Double Ambig)
 &rst
  ixpk= 953, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 361,2193,
 igr2= 415,2245,
 &end
#
#  142 ARG  HD+         142 ARG  HN          5.00    (#    955:10  Unique         4.26, 4.75 A)
 &rst
  ixpk= 955, nxpk= 10, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2255,2256,
 &end
#
#    0 AMB  10-2:956    142 ARG  HN          4.00    (#    956:10  Single Ambig)
 &rst
  ixpk= 956, nxpk= 10, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2235,2236,2201,2202,
 &end
#
#  141 ASN  HB+         142 ARG  HN          4.00    (#    957:10  Unique         2.95, 3.76 A)
 &rst
  ixpk= 957, nxpk= 10, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2235,2236,
 &end
#
#  142 ARG  HB-         142 ARG  HN          5.00    (#    958:10  Unique         2.09, 2.54 A)
 &rst
  ixpk= 958, nxpk= 10, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2249,2250,
 &end
#
#  142 ARG  HB+         142 ARG  HN          3.00    (#    959:10  Unique         2.09, 2.54 A)
 &rst
  ixpk= 959, nxpk= 10, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2249,2250,
 &end
#
#    0 AMB  10-2:960      0 AMB  10-1:960    4.00    (#    960:10  Double Ambig)
 &rst
  ixpk= 960, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=2289,2290,2195,2196, 366, 367,2308,2309,2310,
 igr2=2245, 415,
 &end
#
#    0 AMB  10-2:961      0 AMB  10-1:961    4.00    (#    961:10  Double Ambig)
 &rst
  ixpk= 961, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,1063,1064,1065,1067,1068,1069,
 igr2=2245, 415,
 &end
#
#  111 VAL  MGY         113 ALA  HN          5.00    (#    965:10  Unique         3.75, 5.50 A)
 &rst
  ixpk= 965, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#   36 PHE  HN          113 ALA  HN          4.00    (#    966:10  Unique         2.51, 2.81 A)
 &rst
  ixpk= 966, nxpk= 10, iat= 580,1780, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   37 TRP  HD1         113 ALA  HN          5.00    (#    967:10  Unique         3.53, 4.89 A)
 &rst
  ixpk= 967, nxpk= 10, iat= 608,1780, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HA          113 ALA  HN          5.00    (#    968:10  Unique         4.11, 4.28 A)
 &rst
  ixpk= 968, nxpk= 10, iat= 565,1780, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:969    113 ALA  HN          3.00    (#    969:10  Single Ambig)
 &rst
  ixpk= 969, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1776,1782,
 &end
#
#  111 VAL  HA          113 ALA  HN          3.00    (#    970:10  Unique         2.48, 2.94 A)
 &rst
  ixpk= 970, nxpk= 10, iat=1752,1780, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:971    113 ALA  HN          4.00    (#    971:10  Single Ambig)
 &rst
  ixpk= 971, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 584, 585, 604, 605,
 &end
#
#  112 PRO  HB-         113 ALA  HN          4.00    (#    972:10  Unique         2.71, 3.22 A)
 &rst
  ixpk= 972, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1773,1774,
 &end
#
#   36 PHE  HB-         113 ALA  HN          4.00    (#    973:10  Unique         2.97, 3.98 A)
 &rst
  ixpk= 973, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 584, 585,
 &end
#
#    0 AMB  10-2:974    113 ALA  HN          4.00    (#    974:10  Single Ambig)
 &rst
  ixpk= 974, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1773,1774,1754,
 &end
#
#  113 ALA  MB          113 ALA  HN          3.00    (#    975:10  Unique         2.81, 3.47 A)
 &rst
  ixpk= 975, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1784,1785,1786,
 &end
#
#  111 VAL  MGX         113 ALA  HN          4.00    (#    976:10  Unique         3.75, 5.50 A)
 &rst
  ixpk= 976, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#    0 AMB  10-2:977     52 ASN  HN          5.00    (#    977:10  Single Ambig)
 &rst
  ixpk= 977, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 855, 856, 794, 795,
 &end
#
#   52 ASN  HN           55 ARG  HN          5.00    (#    978:10  Unique         4.47, 4.62 A)
 &rst
  ixpk= 978, nxpk= 10, iat= 834, 883, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 ARG  HN            3 LEU  HN          5.00    (#    981:10  Unique         3.10, 4.34 A)
 &rst
  ixpk= 981, nxpk= 10, iat=  62,  43, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    2 LYS  HA            3 LEU  HN          3.00    (#    983:10  Unique         2.18, 2.58 A)
 &rst
  ixpk= 983, 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    (#    985:10  Unique         2.21, 2.43 A)
 &rst
  ixpk= 985, nxpk= 10, iat=  45,  43, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:986      3 LEU  HN          4.00    (#    986:10  Single Ambig)
 &rst
  ixpk= 986, nxpk= 10, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  50,  47,  48,
 &end
#
#    2 LYS  HB-           3 LEU  HN          4.00    (#    987:10  Unique         1.93, 3.82 A)
 &rst
  ixpk= 987, nxpk= 10, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  25,  26,
 &end
#
#    0 AMB  10-2:988      3 LEU  HN          4.00    (#    988:10  Single Ambig)
 &rst
  ixpk= 988, nxpk= 10, iat=  -1,  43, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  47,  48,1944,1945,
 &end
#
#    3 LEU  MDX           3 LEU  HN          4.00    (#    989:10  Unique         1.92, 4.23 A)
 &rst
  ixpk= 989, 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    (#    990:10  Unique         1.92, 4.23 A)
 &rst
  ixpk= 990, 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
#
#   61 GLN  HN           62 LEU  HN          3.00    (#    994:10  Unique         1.88, 2.01 A)
 &rst
  ixpk= 994, nxpk= 10, iat= 991,1008, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   59 GLN  HN           62 LEU  HN          5.00    (#    996:10  Unique         4.51, 4.98 A)
 &rst
  ixpk= 996, nxpk= 10, iat= 962,1008, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ASN  HD2+         62 LEU  HN          5.00    (#    997:10  Unique         5.97, 6.58 A)
 &rst
  ixpk= 997, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1036,1037,
 &end
#
#   62 LEU  HA           62 LEU  HN          3.00    (#    998:10  Unique         2.86, 2.89 A)
 &rst
  ixpk= 998, nxpk= 10, iat=1010,1008, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 GLN  HA           62 LEU  HN          4.00    (#    999:10  Unique         3.50, 3.57 A)
 &rst
  ixpk= 999, nxpk= 10, iat= 993,1008, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLN  HA           62 LEU  HN          4.00    (#   1000:10  Unique         3.41, 3.75 A)
 &rst
  ixpk= 1000, nxpk= 10, iat= 964,1008, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 TYR  HB-          62 LEU  HN          4.00    (#   1001:10  Unique         2.90, 3.90 A)
 &rst
  ixpk= 1001, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 945, 946,
 &end
#
#   58 TYR  HB+          62 LEU  HN          4.00    (#   1002:10  Unique         2.90, 3.90 A)
 &rst
  ixpk= 1002, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 945, 946,
 &end
#
#    0 AMB  10-2:1003    62 LEU  HN          3.00    (#   1003:10  Single Ambig)
 &rst
  ixpk= 1003, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 995, 996, 998, 999,
 &end
#
#    0 AMB  10-2:1004    62 LEU  HN          3.00    (#   1004:10  Single Ambig)
 &rst
  ixpk= 1004, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 995, 996,1012,1013,
 &end
#
#   62 LEU  HB+          62 LEU  HN          3.00    (#   1005:10  Unique         2.82, 3.44 A)
 &rst
  ixpk= 1005, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1012,1013,
 &end
#
#   64 VAL  MGX          62 LEU  HN          5.00    (#   1006:10  Unique         4.31, 6.55 A)
 &rst
  ixpk= 1006, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#  144 LEU  MDX          62 LEU  HN          5.00    (#   1007:10  Unique         4.41, 5.66 A)
 &rst
  ixpk= 1007, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#   62 LEU  MDY          62 LEU  HN          4.00    (#   1008:10  Unique         1.91, 4.58 A)
 &rst
  ixpk= 1008, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1017,1018,1019,1021,1022,1023,
 &end
#
#   63 ASN  HN           62 LEU  HN          5.00    (#   1009:10  Unique         4.13, 4.34 A)
 &rst
  ixpk= 1009, nxpk= 10, iat=1027,1008, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 TYR  HA           62 LEU  HN          5.00    (#   1010:10  Unique         3.50, 4.80 A)
 &rst
  ixpk= 1010, nxpk= 10, iat= 943,1008, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1011    62 LEU  HN          5.00    (#   1011:10  Single Ambig)
 &rst
  ixpk= 1011, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 485, 486, 482, 483,
 &end
#
#    0 AMB  10-2:1012     0 AMB  10-1:1012   3.00    (#   1012:10  Double Ambig)
 &rst
  ixpk= 1012, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2269, 398, 345,
 igr2=2245, 415,
 &end
#
#    0 AMB  10-2:1013     0 AMB  10-1:1013   4.00    (#   1013:10  Double Ambig)
 &rst
  ixpk= 1013, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=2252,2253,2252,2253, 438,
 igr2=2245, 415,
 &end
#
#    0 AMB  10-2:1014     0 AMB  10-1:1014   5.00    (#   1014:10  Double Ambig)
 &rst
  ixpk= 1014, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=2195,2196, 517, 518, 519, 351, 352, 353,
 igr2=2245, 415,
 &end
#
#    0 AMB  10-2:1015     0 AMB  10-1:1015   5.00    (#   1015:10  Double Ambig)
 &rst
  ixpk= 1015, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 405, 406,2321,2322,
 igr2= 415,2245,
 &end
#
#    0 AMB  10-2:1016    26 LEU  HN          4.00    (#   1016:10  Single Ambig)
 &rst
  ixpk= 1016, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 335, 336, 337, 339, 340, 341, 424, 425, 426, 428,
       429, 430,
 &end
#
#   27 ILE  HN           26 LEU  HN          3.00    (#   1017:10  Unique         2.36, 2.55 A)
 &rst
  ixpk= 1017, nxpk= 10, iat= 434, 415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1018    26 LEU  HN          3.00    (#   1018:10  Single Ambig)
 &rst
  ixpk= 1018, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 417, 400,
 &end
#
#    0 AMB  10-2:1019    26 LEU  HN          4.00    (#   1019:10  Single Ambig)
 &rst
  ixpk= 1019, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 402, 403, 390, 391,
 &end
#
#    0 AMB  10-2:1020    26 LEU  HN          3.00    (#   1020:10  Single Ambig)
 &rst
  ixpk= 1020, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 419, 420, 419, 420, 422,
 &end
#
#   27 ILE  HG1+         26 LEU  HN          5.00    (#   1021:10  Unique         3.83, 4.05 A)
 &rst
  ixpk= 1021, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 444, 445,
 &end
#
#    0 AMB  10-2:1022   142 ARG  HN          5.00    (#   1022:10  Single Ambig)
 &rst
  ixpk= 1022, nxpk= 10, iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  10-2:1023    26 LEU  HN          3.00    (#   1023:10  Single Ambig)
 &rst
  ixpk= 1023, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 335, 336, 337, 339, 340, 341, 424, 425, 426, 428,
       429, 430,
 &end
#
#   24 GLU  HN           26 LEU  HN          5.00    (#   1024:10  Unique         3.43, 3.70 A)
 &rst
  ixpk= 1024, nxpk= 10, iat= 383, 415, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  127 GLN  HN          114 TYR  HN          4.00    (#   1027:10  Unique         3.09, 3.39 A)
 &rst
  ixpk= 1027, nxpk= 10, iat=2020,1790, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  113 ALA  HN          114 TYR  HN          5.00    (#   1028:10  Unique         4.18, 4.30 A)
 &rst
  ixpk= 1028, nxpk= 10, iat=1780,1790, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  126 PHE  HA          114 TYR  HN          5.00    (#   1032:10  Unique         4.54, 4.77 A)
 &rst
  ixpk= 1032, nxpk= 10, iat=2002,1790, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  114 TYR  HA          114 TYR  HN          4.00    (#   1033:10  Unique         2.89, 2.92 A)
 &rst
  ixpk= 1033, nxpk= 10, iat=1792,1790, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  128 ALA  HA          114 TYR  HN          3.00    (#   1034:10  Unique         2.76, 2.96 A)
 &rst
  ixpk= 1034, nxpk= 10, iat=2039,1790, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  114 TYR  HB-         114 TYR  HN          4.00    (#   1036:10  Unique         2.46, 3.28 A)
 &rst
  ixpk= 1036, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1794,1795,
 &end
#
#  114 TYR  HB+         114 TYR  HN          4.00    (#   1037:10  Unique         2.46, 3.28 A)
 &rst
  ixpk= 1037, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1794,1795,
 &end
#
#  127 GLN  HB-         114 TYR  HN          5.00    (#   1038:10  Unique         4.54, 4.97 A)
 &rst
  ixpk= 1038, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2024,2025,
 &end
#
#  127 GLN  HB-         114 TYR  HN          5.00    (#   1039:10  Unique         4.54, 4.97 A)
 &rst
  ixpk= 1039, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2024,2025,
 &end
#
#  113 ALA  MB          114 TYR  HN          3.00    (#   1040:10  Unique         2.54, 3.55 A)
 &rst
  ixpk= 1040, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1784,1785,1786,
 &end
#
#  128 ALA  MB          114 TYR  HN          4.00    (#   1041:10  Unique         2.58, 4.08 A)
 &rst
  ixpk= 1041, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2041,2042,2043,
 &end
#
#   33 LEU  MDY         114 TYR  HN          5.00    (#   1042:10  Unique         5.23, 7.25 A)
 &rst
  ixpk= 1042, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#   56 ASP  HN           55 ARG  HN          5.00    (#   1043:10  Unique         2.78, 2.89 A)
 &rst
  ixpk= 1043, nxpk= 10, iat= 907, 883, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PHE  HN           55 ARG  HN          4.00    (#   1044:10  Unique         2.66, 2.79 A)
 &rst
  ixpk= 1044, nxpk= 10, iat= 863, 883, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1045    55 ARG  HN          4.00    (#   1045:10  Single Ambig)
 &rst
  ixpk= 1045, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 867, 868, 820,
 &end
#
#   54 PHE  HB+          55 ARG  HN          5.00    (#   1046:10  Unique         2.45, 3.36 A)
 &rst
  ixpk= 1046, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 867, 868,
 &end
#
#   55 ARG  HB-          55 ARG  HN          4.00    (#   1047:10  Unique         2.03, 2.52 A)
 &rst
  ixpk= 1047, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 887, 888,
 &end
#
#    0 AMB  10-2:1048    46 GLU  HN          3.00    (#   1048:10  Single Ambig)
 &rst
  ixpk= 1048, nxpk= 10, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 747,2074,2075,
 &end
#
#   45 LYS  HN           46 GLU  HN          4.00    (#   1049:10  Unique         2.42, 2.61 A)
 &rst
  ixpk= 1049, nxpk= 10, iat= 723, 745, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   46 GLU  HG-          46 GLU  HN          3.00    (#   1050:10  Unique         1.93, 2.52 A)
 &rst
  ixpk= 1050, nxpk= 10, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 752, 753,
 &end
#
#   46 GLU  HB-          46 GLU  HN          3.00    (#   1051:10  Unique         2.53, 3.09 A)
 &rst
  ixpk= 1051, nxpk= 10, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 749, 750,
 &end
#
#   45 LYS  HB+          46 GLU  HN          3.00    (#   1052:10  Unique         2.15, 3.48 A)
 &rst
  ixpk= 1052, nxpk= 10, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 727, 728,
 &end
#
#   37 TRP  HD1          92 GLN  HE2+        5.00    (#   1054:10  Unique         4.89, 5.70 A)
 &rst
  ixpk= 1054, nxpk= 10, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1474,1475,
 &end
#
#   92 GLN  HG-          92 GLN  HE2+        4.00    (#   1055:10  Unique         2.10, 3.16 A)
 &rst
  ixpk= 1055, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1469,1470,
 igr2=1474,1475,
 &end
#
#   66 ALA  MB           92 GLN  HE2+        4.00    (#   1056:10  Unique         1.84, 3.29 A)
 &rst
  ixpk= 1056, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1077,1078,1079,
 igr2=1474,1475,
 &end
#
#   64 VAL  MGY          92 GLN  HE2+        4.00    (#   1057:10  Unique         2.11, 5.49 A)
 &rst
  ixpk= 1057, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1047,1048,1049,1051,1052,1053,
 igr2=1474,1475,
 &end
#
#   90 ILE  QG2          92 GLN  HE2+        5.00    (#   1058:10  Unique         2.33, 4.47 A)
 &rst
  ixpk= 1058, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1435,1436,1437,
 igr2=1474,1475,
 &end
#
#   51 VAL  MGX          92 GLN  HE2+        5.00    (#   1059:10  Unique         1.93, 3.80 A)
 &rst
  ixpk= 1059, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 824, 825, 826, 828, 829, 830,
 igr2=1474,1475,
 &end
#
#   92 GLN  HG-          92 GLN  HE2-        5.00    (#   1061:10  Unique         2.10, 3.16 A)
 &rst
  ixpk= 1061, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1469,1470,
 igr2=1474,1475,
 &end
#
#   92 GLN  HG+          92 GLN  HE2-        5.00    (#   1062:10  Unique         2.10, 3.16 A)
 &rst
  ixpk= 1062, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1469,1470,
 igr2=1474,1475,
 &end
#
#   90 ILE  QG2          92 GLN  HE2-        5.00    (#   1063:10  Unique         2.33, 4.47 A)
 &rst
  ixpk= 1063, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1435,1436,1437,
 igr2=1474,1475,
 &end
#
#   64 VAL  MGY          92 GLN  HE2-        4.00    (#   1065:10  Unique         2.11, 5.49 A)
 &rst
  ixpk= 1065, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1047,1048,1049,1051,1052,1053,
 igr2=1474,1475,
 &end
#
#   37 TRP  HD1          92 GLN  HE2-        5.00    (#   1066:10  Unique         4.89, 5.70 A)
 &rst
  ixpk= 1066, nxpk= 10, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1474,1475,
 &end
#
#   92 GLN  HG-          92 GLN  HE2-        5.00    (#   1067:10  Unique         2.10, 3.16 A)
 &rst
  ixpk= 1067, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1469,1470,
 igr2=1474,1475,
 &end
#
#   92 GLN  HG+          92 GLN  HE2+        5.00    (#   1069:10  Unique         2.10, 3.16 A)
 &rst
  ixpk= 1069, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1469,1470,
 igr2=1474,1475,
 &end
#
#    0 AMB  10-2:1075   138 LYS  HN          5.00    (#   1075:10  Single Ambig)
 &rst
  ixpk= 1075, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2182,2183,2109,2110,2235,2236,2201,2202,
 &end
#
#  138 LYS  HD+         138 LYS  HN          4.00    (#   1076:10  Unique         1.94, 2.61 A)
 &rst
  ixpk= 1076, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2179,2180,
 &end
#
#  137 GLU  HN          138 LYS  HN          3.00    (#   1077:10  Unique         2.82, 2.93 A)
 &rst
  ixpk= 1077, nxpk= 10, iat=2154,2169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  139 ARG  HN          138 LYS  HN          3.00    (#   1079:10  Unique         2.24, 2.35 A)
 &rst
  ixpk= 1079, nxpk= 10, iat=2191,2169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  135 MET  HA          138 LYS  HN          4.00    (#   1080:10  Unique         3.51, 3.72 A)
 &rst
  ixpk= 1080, nxpk= 10, iat=2120,2169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  138 LYS  HA          138 LYS  HN          3.00    (#   1081:10  Unique         2.80, 2.89 A)
 &rst
  ixpk= 1081, nxpk= 10, iat=2171,2169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  137 GLU  HA          138 LYS  HN          4.00    (#   1082:10  Unique         3.50, 3.55 A)
 &rst
  ixpk= 1082, nxpk= 10, iat=2156,2169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  137 GLU  HB-         138 LYS  HN          3.00    (#   1083:10  Unique         2.96, 3.46 A)
 &rst
  ixpk= 1083, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2158,2159,
 &end
#
#    0 AMB  10-2:1084   138 LYS  HN          3.00    (#   1084:10  Single Ambig)
 &rst
  ixpk= 1084, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=2158,2159,2129,2130,2131,
 &end
#
#    0 AMB  10-2:1085   138 LYS  HN          3.00    (#   1085:10  Single Ambig)
 &rst
  ixpk= 1085, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2161,2162,2173,2174,
 &end
#
#  138 LYS  HB+         138 LYS  HN          3.00    (#   1086:10  Unique         2.74, 3.24 A)
 &rst
  ixpk= 1086, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2173,2174,
 &end
#
#  138 LYS  HG+         138 LYS  HN          3.00    (#   1087:10  Unique         1.79, 2.67 A)
 &rst
  ixpk= 1087, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2176,2177,
 &end
#
#  138 LYS  HG-         138 LYS  HN          4.00    (#   1088:10  Unique         1.79, 2.67 A)
 &rst
  ixpk= 1088, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2176,2177,
 &end
#
#   44 CYS  HA           45 LYS  HN          5.00    (#   1089:10  Unique         3.58, 3.60 A)
 &rst
  ixpk= 1089, nxpk= 10, iat= 714, 723, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 CYS  HN           45 LYS  HN          5.00    (#   1090:10  Unique         2.46, 2.58 A)
 &rst
  ixpk= 1090, nxpk= 10, iat= 712, 723, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 CYS  HB+          45 LYS  HN          5.00    (#   1091:10  Unique         2.61, 3.51 A)
 &rst
  ixpk= 1091, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 716, 717,
 &end
#
#   45 LYS  HB+          45 LYS  HN          3.00    (#   1092:10  Unique         2.23, 3.09 A)
 &rst
  ixpk= 1092, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 727, 728,
 &end
#
#   45 LYS  HG+          45 LYS  HN          4.00    (#   1093:10  Unique         1.92, 2.85 A)
 &rst
  ixpk= 1093, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 730, 731,
 &end
#
#   46 GLU  HN           45 LYS  HN          4.00    (#   1094:10  Unique         2.42, 2.61 A)
 &rst
  ixpk= 1094, nxpk= 10, iat= 745, 723, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   42 HIS  HA           45 LYS  HN          4.00    (#   1096:10  Unique         3.07, 3.22 A)
 &rst
  ixpk= 1096, nxpk= 10, iat= 678, 723, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 CYS  HB-          45 LYS  HN          4.00    (#   1097:10  Unique         2.61, 3.51 A)
 &rst
  ixpk= 1097, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 716, 717,
 &end
#
#   45 LYS  HA           45 LYS  HN          4.00    (#   1098:10  Unique         2.79, 2.82 A)
 &rst
  ixpk= 1098, nxpk= 10, iat= 725, 723, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  124 ARG  HD+         118 ASP  HN          5.00    (#   1100:10  Unique         2.10, 3.97 A)
 &rst
  ixpk= 1100, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1969,1970,
 &end
#
#  124 ARG  HG-         118 ASP  HN          4.00    (#   1101:10  Unique         2.02, 3.22 A)
 &rst
  ixpk= 1101, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1966,1967,
 &end
#
#   89 ASP  HN           90 ILE  HN          3.00    (#   1102:10  Unique         2.24, 2.87 A)
 &rst
  ixpk= 1102, nxpk= 10, iat=1417,1429, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   89 ASP  HA           90 ILE  HN          4.00    (#   1103:10  Unique         3.02, 3.49 A)
 &rst
  ixpk= 1103, nxpk= 10, iat=1419,1429, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 ASP  HB+          90 ILE  HN          5.00    (#   1104:10  Unique         2.45, 3.43 A)
 &rst
  ixpk= 1104, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1421,1422,
 &end
#
#   90 ILE  HB           90 ILE  HN          4.00    (#   1105:10  Unique         2.14, 3.15 A)
 &rst
  ixpk= 1105, nxpk= 10, iat=1433,1429, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 ALA  MB           90 ILE  HN          5.00    (#   1106:10  Unique         3.66, 5.66 A)
 &rst
  ixpk= 1106, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1369,1370,1371,
 &end
#
#   91 THR  MG2          90 ILE  HN          5.00    (#   1107:10  Unique         4.01, 5.45 A)
 &rst
  ixpk= 1107, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1454,1455,1456,
 &end
#
#   90 ILE  QD1          90 ILE  HN          4.00    (#   1108:10  Unique         1.85, 3.86 A)
 &rst
  ixpk= 1108, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1442,1443,1444,
 &end
#
#   90 ILE  HA           90 ILE  HN          3.00    (#   1109:10  Unique         2.34, 2.56 A)
 &rst
  ixpk= 1109, nxpk= 10, iat=1431,1429, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 MET  ME           90 ILE  HN          5.00    (#   1110:10  Unique         3.80, 5.69 A)
 &rst
  ixpk= 1110, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 781, 782, 783,
 &end
#
#   90 ILE  HG1-         90 ILE  HN          3.00    (#   1111:10  Unique         1.87, 2.32 A)
 &rst
  ixpk= 1111, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1439,1440,
 &end
#
#   94 ILE  QD1          90 ILE  HN          5.00    (#   1112:10  Unique         5.07, 6.14 A)
 &rst
  ixpk= 1112, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1506,1507,1508,
 &end
#
#   90 ILE  HG1+         90 ILE  HN          4.00    (#   1113:10  Unique         1.87, 2.32 A)
 &rst
  ixpk= 1113, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1439,1440,
 &end
#
#  139 ARG  HN          137 GLU  HN          5.00    (#   1114:10  Unique         4.01, 4.36 A)
 &rst
  ixpk= 1114, nxpk= 10, iat=2191,2154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  138 LYS  HN          137 GLU  HN          3.00    (#   1115:10  Unique         2.82, 2.93 A)
 &rst
  ixpk= 1115, nxpk= 10, iat=2169,2154, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  136 LEU  HN          137 GLU  HN          3.00    (#   1116:10  Unique         2.29, 2.69 A)
 &rst
  ixpk= 1116, nxpk= 10, iat=2135,2154, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   50 GLN  HE2-        137 GLU  HN          5.00    (#   1118:10  Unique         5.31, 6.35 A)
 &rst
  ixpk= 1118, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 813, 814,
 &end
#
#  133 MET  HA          137 GLU  HN          5.00    (#   1120:10  Unique         3.91, 4.39 A)
 &rst
  ixpk= 1120, nxpk= 10, iat=2081,2154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  136 LEU  HA          137 GLU  HN          4.00    (#   1122:10  Unique         3.52, 3.62 A)
 &rst
  ixpk= 1122, nxpk= 10, iat=2137,2154, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  137 GLU  HA          137 GLU  HN          3.00    (#   1123:10  Unique         2.62, 2.65 A)
 &rst
  ixpk= 1123, nxpk= 10, iat=2156,2154, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  137 GLU  HB-         137 GLU  HN          3.00    (#   1124:10  Unique         2.05, 2.58 A)
 &rst
  ixpk= 1124, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2158,2159,
 &end
#
#  137 GLU  HB+         137 GLU  HN          3.00    (#   1125:10  Unique         2.05, 2.58 A)
 &rst
  ixpk= 1125, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2158,2159,
 &end
#
#  133 MET  HB-         137 GLU  HN          4.00    (#   1126:10  Unique         2.79, 4.07 A)
 &rst
  ixpk= 1126, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2083,2084,
 &end
#
#  136 LEU  HB-         137 GLU  HN          3.00    (#   1127:10  Unique         2.42, 3.35 A)
 &rst
  ixpk= 1127, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2139,2140,
 &end
#
#  133 MET  ME          137 GLU  HN          5.00    (#   1128:10  Unique         1.84, 3.93 A)
 &rst
  ixpk= 1128, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2090,2091,2092,
 &end
#
#    0 AMB  10-2:1129   137 GLU  HN          3.00    (#   1129:10  Single Ambig)
 &rst
  ixpk= 1129, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2139,2140,2142,
 &end
#
#  136 LEU  MDY         137 GLU  HN          4.00    (#   1130:10  Unique         2.19, 4.79 A)
 &rst
  ixpk= 1130, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  138 LYS  HD+         139 ARG  HN          5.00    (#   1132:10  Unique         3.58, 4.60 A)
 &rst
  ixpk= 1132, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2179,2180,
 &end
#
#   90 ILE  HN           89 ASP  HN          3.00    (#   1133:10  Unique         2.24, 2.87 A)
 &rst
  ixpk= 1133, nxpk= 10, iat=1429,1417, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 HIS  HN           89 ASP  HN          3.00    (#   1135:10  Unique         1.88, 2.36 A)
 &rst
  ixpk= 1135, nxpk= 10, iat=1400,1417, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 HIS  HA           89 ASP  HN          4.00    (#   1136:10  Unique         3.20, 3.44 A)
 &rst
  ixpk= 1136, nxpk= 10, iat=1402,1417, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 ASP  HA           89 ASP  HN          3.00    (#   1137:10  Unique         2.22, 2.24 A)
 &rst
  ixpk= 1137, nxpk= 10, iat=1419,1417, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   87 GLU  HA           89 ASP  HN          5.00    (#   1139:10  Unique         3.44, 3.75 A)
 &rst
  ixpk= 1139, nxpk= 10, iat=1387,1417, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 HIS  HB-          89 ASP  HN          5.00    (#   1140:10  Unique         3.05, 3.75 A)
 &rst
  ixpk= 1140, nxpk= 10, iat=  -1,1417, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1404,1405,
 &end
#
#   89 ASP  HB-          89 ASP  HN          4.00    (#   1141:10  Unique         3.32, 3.75 A)
 &rst
  ixpk= 1141, nxpk= 10, iat=  -1,1417, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1421,1422,
 &end
#
#   88 HIS  HB+          89 ASP  HN          5.00    (#   1142:10  Unique         3.05, 3.75 A)
 &rst
  ixpk= 1142, nxpk= 10, iat=  -1,1417, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1404,1405,
 &end
#
#   89 ASP  HB+          89 ASP  HN          4.00    (#   1143:10  Unique         3.32, 3.75 A)
 &rst
  ixpk= 1143, nxpk= 10, iat=  -1,1417, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1421,1422,
 &end
#
#   90 ILE  HG1-         89 ASP  HN          5.00    (#   1147:10  Unique         2.94, 4.07 A)
 &rst
  ixpk= 1147, nxpk= 10, iat=  -1,1417, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1439,1440,
 &end
#
#   91 THR  MG2          89 ASP  HN          5.00    (#   1148:10  Unique         5.57, 6.49 A)
 &rst
  ixpk= 1148, nxpk= 10, iat=  -1,1417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1454,1455,1456,
 &end
#
#    0 AMB  10-2:1151   119 LYS  HN          5.00    (#   1151:10  Single Ambig)
 &rst
  ixpk= 1151, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1916,1868,
 &end
#
#  120 THR  HN          119 LYS  HN          4.00    (#   1152:10  Unique         2.63, 2.66 A)
 &rst
  ixpk= 1152, nxpk= 10, iat=1902,1880, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  118 ASP  HA          119 LYS  HN          3.00    (#   1153:10  Unique         2.49, 2.59 A)
 &rst
  ixpk= 1153, nxpk= 10, iat=1870,1880, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  118 ASP  HB-         119 LYS  HN          4.00    (#   1154:10  Unique         2.14, 3.27 A)
 &rst
  ixpk= 1154, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1872,1873,
 &end
#
#   31 PRO  HB-         119 LYS  HN          5.00    (#   1155:10  Unique         2.93, 3.93 A)
 &rst
  ixpk= 1155, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 504, 505,
 &end
#
#  119 LYS  HB-         119 LYS  HN          3.00    (#   1156:10  Unique         2.15, 2.90 A)
 &rst
  ixpk= 1156, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1884,1885,
 &end
#
#  119 LYS  HG+         119 LYS  HN          3.00    (#   1157:10  Unique         2.30, 2.89 A)
 &rst
  ixpk= 1157, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1887,1888,
 &end
#
#  119 LYS  HB+         119 LYS  HN          3.00    (#   1158:10  Unique         2.15, 2.90 A)
 &rst
  ixpk= 1158, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1884,1885,
 &end
#
#  120 THR  MG2         119 LYS  HN          5.00    (#   1159:10  Unique         3.48, 5.01 A)
 &rst
  ixpk= 1159, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1908,1909,1910,
 &end
#
#   31 PRO  HA          119 LYS  HN          5.00    (#   1161:10  Unique         3.26, 3.39 A)
 &rst
  ixpk= 1161, nxpk= 10, iat= 507,1880, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  119 LYS  HA          119 LYS  HN          3.00    (#   1162:10  Unique         2.76, 2.79 A)
 &rst
  ixpk= 1162, nxpk= 10, iat=1882,1880, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  119 LYS  HE+         119 LYS  HN          5.00    (#   1163:10  Unique         4.27, 5.28 A)
 &rst
  ixpk= 1163, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1893,1894,
 &end
#
#  118 ASP  HB+         119 LYS  HN          4.00    (#   1164:10  Unique         2.14, 3.27 A)
 &rst
  ixpk= 1164, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1872,1873,
 &end
#
#    0 AMB  10-2:1165   119 LYS  HN          4.00    (#   1165:10  Single Ambig)
 &rst
  ixpk= 1165, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 504, 505, 501, 502,
 &end
#
#  119 LYS  HG-         119 LYS  HN          4.00    (#   1166:10  Unique         2.30, 2.89 A)
 &rst
  ixpk= 1166, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1887,1888,
 &end
#
#    0 AMB  10-2:1167   119 LYS  HN          4.00    (#   1167:10  Single Ambig)
 &rst
  ixpk= 1167, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#  124 ARG  HN          118 ASP  HN          5.00    (#   1168:10  Unique         3.74, 4.01 A)
 &rst
  ixpk= 1168, nxpk= 10, iat=1959,1868, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  119 LYS  HN          118 ASP  HN          5.00    (#   1169:10  Unique         4.58, 4.64 A)
 &rst
  ixpk= 1169, nxpk= 10, iat=1880,1868, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  122 GLN  HN          118 ASP  HN          4.00    (#   1170:10  Unique         2.38, 2.90 A)
 &rst
  ixpk= 1170, nxpk= 10, iat=1923,1868, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  117 PHE  HA          118 ASP  HN          3.00    (#   1172:10  Unique         2.19, 2.22 A)
 &rst
  ixpk= 1172, nxpk= 10, iat=1850,1868, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  124 ARG  HA          118 ASP  HN          5.00    (#   1173:10  Unique         4.62, 4.93 A)
 &rst
  ixpk= 1173, nxpk= 10, iat=1961,1868, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  118 ASP  HA          118 ASP  HN          3.00    (#   1174:10  Unique         2.62, 2.70 A)
 &rst
  ixpk= 1174, nxpk= 10, iat=1870,1868, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  118 ASP  HB-         118 ASP  HN          3.00    (#   1175:10  Unique         2.03, 2.75 A)
 &rst
  ixpk= 1175, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1872,1873,
 &end
#
#  124 ARG  HD-         118 ASP  HN          4.00    (#   1176:10  Unique         2.10, 3.97 A)
 &rst
  ixpk= 1176, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1969,1970,
 &end
#
#  117 PHE  HB+         118 ASP  HN          4.00    (#   1177:10  Unique         3.10, 3.80 A)
 &rst
  ixpk= 1177, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1852,1853,
 &end
#
#  118 ASP  HB+         118 ASP  HN          4.00    (#   1178:10  Unique         2.03, 2.75 A)
 &rst
  ixpk= 1178, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1872,1873,
 &end
#
#    0 AMB  10-2:1179   118 ASP  HN          5.00    (#   1179:10  Single Ambig)
 &rst
  ixpk= 1179, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1930,1931,1927,1928,
 &end
#
#  124 ARG  HB+         118 ASP  HN          4.00    (#   1180:10  Unique         3.20, 4.41 A)
 &rst
  ixpk= 1180, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1963,1964,
 &end
#
#  124 ARG  HG+         118 ASP  HN          4.00    (#   1181:10  Unique         2.02, 3.22 A)
 &rst
  ixpk= 1181, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1966,1967,
 &end
#
#  124 ARG  HB-         118 ASP  HN          5.00    (#   1182:10  Unique         3.20, 4.41 A)
 &rst
  ixpk= 1182, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1963,1964,
 &end
#
#    0 AMB  10-2:1183   118 ASP  HN          5.00    (#   1183:10  Single Ambig)
 &rst
  ixpk= 1183, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#    0 AMB  10-2:1184   118 ASP  HN          5.00    (#   1184:10  Single Ambig)
 &rst
  ixpk= 1184, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1838,1839,1840,1842,1843,1844,1949,1950,1951,1953,
      1954,1955,
 &end
#
#  123 LEU  MDY         118 ASP  HN          5.00    (#   1185:10  Unique         5.45, 7.36 A)
 &rst
  ixpk= 1185, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#  140 VAL  HN          141 ASN  HN          3.00    (#   1186:10  Unique         2.21, 2.54 A)
 &rst
  ixpk= 1186, nxpk= 10, iat=2215,2231, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  139 ARG  HN          141 ASN  HN          5.00    (#   1188:10  Unique         3.91, 4.28 A)
 &rst
  ixpk= 1188, nxpk= 10, iat=2191,2231, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  143 VAL  HN          141 ASN  HN          5.00    (#   1189:10  Unique         4.04, 4.30 A)
 &rst
  ixpk= 1189, nxpk= 10, iat=2269,2231, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  141 ASN  HD2-        141 ASN  HN          5.00    (#   1190:10  Unique         2.35, 3.85 A)
 &rst
  ixpk= 1190, nxpk= 10, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2240,2241,
 &end
#
#  140 VAL  MGY         141 ASN  HN          3.00    (#   1193:10  Unique         2.07, 4.34 A)
 &rst
  ixpk= 1193, nxpk= 10, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#  136 LEU  MDX         137 GLU  HN          5.00    (#   1194:10  Unique         2.19, 4.79 A)
 &rst
  ixpk= 1194, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  140 VAL  HN          139 ARG  HN          3.00    (#   1197:10  Unique         2.54, 2.77 A)
 &rst
  ixpk= 1197, nxpk= 10, iat=2215,2191, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  141 ASN  HN          139 ARG  HN          5.00    (#   1198:10  Unique         3.91, 4.28 A)
 &rst
  ixpk= 1198, nxpk= 10, iat=2231,2191, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  137 GLU  HN          139 ARG  HN          5.00    (#   1199:10  Unique         4.01, 4.36 A)
 &rst
  ixpk= 1199, nxpk= 10, iat=2154,2191, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  138 LYS  HN          139 ARG  HN          3.00    (#   1201:10  Unique         2.24, 2.35 A)
 &rst
  ixpk= 1201, nxpk= 10, iat=2169,2191, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  135 MET  HA          139 ARG  HN          5.00    (#   1202:10  Unique         4.13, 4.54 A)
 &rst
  ixpk= 1202, nxpk= 10, iat=2120,2191, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  138 LYS  HA          139 ARG  HN          4.00    (#   1203:10  Unique         3.55, 3.61 A)
 &rst
  ixpk= 1203, nxpk= 10, iat=2171,2191, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  139 ARG  HA          139 ARG  HN          3.00    (#   1204:10  Unique         2.63, 2.71 A)
 &rst
  ixpk= 1204, nxpk= 10, iat=2193,2191, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  136 LEU  HA          139 ARG  HN          4.00    (#   1205:10  Unique         2.62, 2.85 A)
 &rst
  ixpk= 1205, nxpk= 10, iat=2137,2191, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  137 GLU  HA          139 ARG  HN          5.00    (#   1206:10  Unique         4.15, 4.76 A)
 &rst
  ixpk= 1206, nxpk= 10, iat=2156,2191, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  139 ARG  HD-         139 ARG  HN          5.00    (#   1207:10  Unique         2.61, 4.58 A)
 &rst
  ixpk= 1207, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2201,2202,
 &end
#
#  139 ARG  HD+         139 ARG  HN          5.00    (#   1208:10  Unique         2.61, 4.58 A)
 &rst
  ixpk= 1208, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2201,2202,
 &end
#
#  135 MET  ME          139 ARG  HN          5.00    (#   1209:10  Unique         3.12, 4.66 A)
 &rst
  ixpk= 1209, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2129,2130,2131,
 &end
#
#    0 AMB  10-2:1210   139 ARG  HN          3.00    (#   1210:10  Single Ambig)
 &rst
  ixpk= 1210, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2173,2174,2249,2250,
 &end
#
#  139 ARG  HB-         139 ARG  HN          3.00    (#   1211:10  Unique         2.03, 2.62 A)
 &rst
  ixpk= 1211, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2195,2196,
 &end
#
#    0 AMB  10-2:1212   139 ARG  HN          4.00    (#   1212:10  Single Ambig)
 &rst
  ixpk= 1212, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2176,2177,2198,2199,
 &end
#
#  139 ARG  HB+         139 ARG  HN          3.00    (#   1213:10  Unique         2.03, 2.62 A)
 &rst
  ixpk= 1213, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2195,2196,
 &end
#
#  140 VAL  MGX         139 ARG  HN          5.00    (#   1214:10  Unique         4.32, 6.43 A)
 &rst
  ixpk= 1214, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#  136 LEU  MDX         139 ARG  HN          5.00    (#   1215:10  Unique         3.68, 5.73 A)
 &rst
  ixpk= 1215, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  136 LEU  MDY         139 ARG  HN          4.00    (#   1216:10  Unique         3.68, 5.73 A)
 &rst
  ixpk= 1216, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#   63 ASN  HB-          63 ASN  HD2-        4.00    (#   1222:10  Unique         2.11, 3.27 A)
 &rst
  ixpk= 1222, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1031,1032,
 igr2=1036,1037,
 &end
#
#    0 AMB  10-2:1223    63 ASN  HD2-        5.00    (#   1223:10  Single Ambig)
 &rst
  ixpk= 1223, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 424, 425, 426, 428, 429, 430,1017,1018,1019,1021,
      1022,1023,
 igr2=1036,1037,
 &end
#
#   26 LEU  HA           63 ASN  HD2-        4.00    (#   1224:10  Unique         4.04, 4.47 A)
 &rst
  ixpk= 1224, nxpk= 10, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1036,1037,
 &end
#
#   63 ASN  HB+          63 ASN  HD2-        4.00    (#   1225:10  Unique         2.11, 3.27 A)
 &rst
  ixpk= 1225, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1031,1032,
 igr2=1036,1037,
 &end
#
#    0 AMB  10-2:1226    63 ASN  HD2-        5.00    (#   1226:10  Single Ambig)
 &rst
  ixpk= 1226, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 485, 486, 482, 483,
 igr2=1036,1037,
 &end
#
#   32 THR  MG2          63 ASN  HD2-        5.00    (#   1227:10  Unique         3.56, 6.12 A)
 &rst
  ixpk= 1227, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 517, 518, 519,
 igr2=1036,1037,
 &end
#
#    0 AMB  10-2:1228    63 ASN  HD2-        4.00    (#   1228:10  Single Ambig)
 &rst
  ixpk= 1228, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 424, 425, 426, 428, 429, 430,1017,1018,1019,1021,
      1022,1023,
 igr2=1036,1037,
 &end
#
#   30 LYS  HB-          63 ASN  HD2-        4.00    (#   1229:10  Unique         2.18, 3.69 A)
 &rst
  ixpk= 1229, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 479, 480,
 igr2=1036,1037,
 &end
#
#   28 GLY  HN           27 ILE  HN          5.00    (#   1230:10  Unique         4.42, 4.49 A)
 &rst
  ixpk= 1230, nxpk= 10, iat= 453, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 LEU  HN           27 ILE  HN          3.00    (#   1231:10  Unique         2.36, 2.55 A)
 &rst
  ixpk= 1231, 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    (#   1232:10  Unique         3.91, 4.09 A)
 &rst
  ixpk= 1232, 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    (#   1235:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 1235, nxpk= 10, iat= 436, 434, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1236    27 ILE  HN          4.00    (#   1236:10  Single Ambig)
 &rst
  ixpk= 1236, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 417, 400,
 &end
#
#   24 GLU  HA           27 ILE  HN          4.00    (#   1237:10  Unique         3.56, 3.73 A)
 &rst
  ixpk= 1237, nxpk= 10, iat= 385, 434, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1238    27 ILE  HN          5.00    (#   1238:10  Single Ambig)
 &rst
  ixpk= 1238, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 455, 456,1918,1919,
 &end
#
#    0 AMB  10-2:1240    27 ILE  HN          4.00    (#   1240:10  Single Ambig)
 &rst
  ixpk= 1240, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 419, 420, 419, 420,
 &end
#
#   27 ILE  HB           27 ILE  HN          4.00    (#   1241:10  Unique         2.39, 3.33 A)
 &rst
  ixpk= 1241, nxpk= 10, iat= 438, 434, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 ILE  HG1-         27 ILE  HN          3.00    (#   1242:10  Unique         1.94, 2.23 A)
 &rst
  ixpk= 1242, 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    (#   1243:10  Unique         1.94, 2.23 A)
 &rst
  ixpk= 1243, 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    (#   1244:10  Unique         3.74, 4.29 A)
 &rst
  ixpk= 1244, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 440, 441, 442,
 &end
#
#    0 AMB  10-2:1245    27 ILE  HN          4.00    (#   1245:10  Single Ambig)
 &rst
  ixpk= 1245, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 447, 448, 449, 335, 336, 337, 339, 340, 341,
 &end
#
#   63 ASN  HN           63 ASN  HD2+        5.00    (#   1246:10  Unique         1.94, 3.01 A)
 &rst
  ixpk= 1246, nxpk= 10, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1036,1037,
 &end
#
#   32 THR  HA           63 ASN  HD2+        5.00    (#   1247:10  Unique         2.19, 3.93 A)
 &rst
  ixpk= 1247, nxpk= 10, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1036,1037,
 &end
#
#   32 THR  MG2          63 ASN  HD2+        5.00    (#   1248:10  Unique         3.56, 6.12 A)
 &rst
  ixpk= 1248, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 517, 518, 519,
 igr2=1036,1037,
 &end
#
#   32 THR  HG1          63 ASN  HD2+        5.00    (#   1250:10  Unique         2.41, 3.89 A)
 &rst
  ixpk= 1250, nxpk= 10, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1036,1037,
 &end
#
#   26 LEU  HA           63 ASN  HD2+        4.00    (#   1251:10  Unique         4.04, 4.47 A)
 &rst
  ixpk= 1251, nxpk= 10, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1036,1037,
 &end
#
#   63 ASN  HB-          63 ASN  HD2+        4.00    (#   1252:10  Unique         2.11, 3.27 A)
 &rst
  ixpk= 1252, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1031,1032,
 igr2=1036,1037,
 &end
#
#   63 ASN  HB+          63 ASN  HD2+        4.00    (#   1253:10  Unique         2.11, 3.27 A)
 &rst
  ixpk= 1253, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1031,1032,
 igr2=1036,1037,
 &end
#
#   26 LEU  HB+          63 ASN  HD2+        5.00    (#   1254:10  Unique         4.32, 5.93 A)
 &rst
  ixpk= 1254, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 419, 420,
 igr2=1036,1037,
 &end
#
#    0 AMB  10-2:1255     0 AMB  10-1:1255   4.00    (#   1255:10  Double Ambig)
 &rst
  ixpk= 1255, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 424, 425, 426, 428, 429, 430,1017,1018,1019,1021,
      1022,1023,
 igr2=1036,1037,1036,1037,
 &end
#
#  144 LEU  HN          141 ASN  HN          5.00    (#   1256:10  Unique         4.66, 4.98 A)
 &rst
  ixpk= 1256, nxpk= 10, iat=2285,2231, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  142 ARG  HN          141 ASN  HN          3.00    (#   1257:10  Unique         2.41, 2.56 A)
 &rst
  ixpk= 1257, nxpk= 10, iat=2245,2231, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  141 ASN  HD2+        141 ASN  HN          4.00    (#   1258:10  Unique         2.35, 3.85 A)
 &rst
  ixpk= 1258, nxpk= 10, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2240,2241,
 &end
#
#  141 ASN  HA          141 ASN  HN          3.00    (#   1259:10  Unique         2.73, 2.78 A)
 &rst
  ixpk= 1259, nxpk= 10, iat=2233,2231, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  138 LYS  HA          141 ASN  HN          4.00    (#   1260:10  Unique         2.86, 3.12 A)
 &rst
  ixpk= 1260, nxpk= 10, iat=2171,2231, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  137 GLU  HA          141 ASN  HN          5.00    (#   1261:10  Unique         4.46, 4.72 A)
 &rst
  ixpk= 1261, nxpk= 10, iat=2156,2231, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  140 VAL  HA          141 ASN  HN          4.00    (#   1262:10  Unique         3.51, 3.59 A)
 &rst
  ixpk= 1262, nxpk= 10, iat=2217,2231, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  141 ASN  HB-         141 ASN  HN          3.00    (#   1263:10  Unique         2.13, 3.02 A)
 &rst
  ixpk= 1263, nxpk= 10, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2235,2236,
 &end
#
#  141 ASN  HB+         141 ASN  HN          3.00    (#   1264:10  Unique         2.13, 3.02 A)
 &rst
  ixpk= 1264, nxpk= 10, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2235,2236,
 &end
#
#    0 AMB  10-2:1265   141 ASN  HN          5.00    (#   1265:10  Single Ambig)
 &rst
  ixpk= 1265, nxpk= 10, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=2249,2250,2161,2162,2273,
 &end
#
#  140 VAL  HB          141 ASN  HN          3.00    (#   1267:10  Unique         2.27, 3.06 A)
 &rst
  ixpk= 1267, nxpk= 10, iat=2219,2231, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  140 VAL  MGX         141 ASN  HN          4.00    (#   1268:10  Unique         2.07, 4.34 A)
 &rst
  ixpk= 1268, nxpk= 10, iat=  -1,2231, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#   85 ALA  HN           84 THR  HN          3.00    (#   1270:10  Unique         2.62, 2.86 A)
 &rst
  ixpk= 1270, nxpk= 10, iat=1365,1351, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   83 GLU  HN           84 THR  HN          3.00    (#   1271:10  Unique         2.47, 2.66 A)
 &rst
  ixpk= 1271, nxpk= 10, iat=1336,1351, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   83 GLU  HB-          84 THR  HN          3.00    (#   1273:10  Unique         2.39, 3.13 A)
 &rst
  ixpk= 1273, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1340,1341,
 &end
#
#   84 THR  MG2          84 THR  HN          4.00    (#   1274:10  Unique         3.79, 4.33 A)
 &rst
  ixpk= 1274, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1357,1358,1359,
 &end
#
#   84 THR  HB           84 THR  HN          3.00    (#   1276:10  Unique         1.97, 2.14 A)
 &rst
  ixpk= 1276, nxpk= 10, iat=1355,1351, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 THR  HA           84 THR  HN          3.00    (#   1277:10  Unique         2.71, 2.76 A)
 &rst
  ixpk= 1277, nxpk= 10, iat=1353,1351, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   83 GLU  HA           84 THR  HN          4.00    (#   1278:10  Unique         3.55, 3.62 A)
 &rst
  ixpk= 1278, nxpk= 10, iat=1338,1351, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 ILE  HA           84 THR  HN          5.00    (#   1279:10  Unique         3.23, 3.49 A)
 &rst
  ixpk= 1279, nxpk= 10, iat=1297,1351, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 GLU  HB+          84 THR  HN          5.00    (#   1280:10  Unique         2.39, 3.13 A)
 &rst
  ixpk= 1280, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1340,1341,
 &end
#
#    0 AMB  10-2:1281    84 THR  HN          5.00    (#   1281:10  Single Ambig)
 &rst
  ixpk= 1281, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1318,1319, 639,
 &end
#
#   39 ILE  QG2          84 THR  HN          5.00    (#   1282:10  Unique         5.09, 6.23 A)
 &rst
  ixpk= 1282, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 641, 642, 643,
 &end
#
#  144 LEU  HN          146 GLU  HN          4.00    (#   1289:10  Unique         3.48, 3.74 A)
 &rst
  ixpk= 1289, nxpk= 10, iat=2285,2314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  147 THR  HN          146 GLU  HN          4.00    (#   1290:10  Unique         1.85, 2.19 A)
 &rst
  ixpk= 1290, nxpk= 10, iat=2329,2314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1294   146 GLU  HN          3.00    (#   1294:10  Single Ambig)
 &rst
  ixpk= 1294, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2316,2306,
 &end
#
#    0 AMB  10-2:1296   146 GLU  HN          4.00    (#   1296:10  Single Ambig)
 &rst
  ixpk= 1296, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2287,2247,
 &end
#
#  143 VAL  HA          146 GLU  HN          4.00    (#   1297:10  Unique         3.00, 3.33 A)
 &rst
  ixpk= 1297, nxpk= 10, iat=2271,2314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  146 GLU  HG-         146 GLU  HN          3.00    (#   1298:10  Unique         2.06, 3.10 A)
 &rst
  ixpk= 1298, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2321,2322,
 &end
#
#  146 GLU  HG+         146 GLU  HN          3.00    (#   1299:10  Unique         2.06, 3.10 A)
 &rst
  ixpk= 1299, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2321,2322,
 &end
#
#  146 GLU  HB-         146 GLU  HN          3.00    (#   1301:10  Unique         2.35, 3.17 A)
 &rst
  ixpk= 1301, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2318,2319,
 &end
#
#    0 AMB  10-2:1302   146 GLU  HN          5.00    (#   1302:10  Single Ambig)
 &rst
  ixpk= 1302, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2289,2290,1966,1967,
 &end
#
#  145 ALA  MB          146 GLU  HN          4.00    (#   1304:10  Unique         2.77, 4.01 A)
 &rst
  ixpk= 1304, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2308,2309,2310,
 &end
#
#    0 AMB  10-2:1305   146 GLU  HN          5.00    (#   1305:10  Single Ambig)
 &rst
  ixpk= 1305, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#  144 LEU  HN          143 VAL  HN          3.00    (#   1308:10  Unique         2.28, 2.49 A)
 &rst
  ixpk= 1308, nxpk= 10, iat=2285,2269, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  142 ARG  HN          143 VAL  HN          3.00    (#   1309:10  Unique         2.30, 2.40 A)
 &rst
  ixpk= 1309, nxpk= 10, iat=2245,2269, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1310     0 AMB  10-1:1310   3.00    (#   1310:10  Double Ambig)
 &rst
  ixpk= 1310, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=2074,2075,2271, 658, 659,
 igr2= 760,2269,1209,
 &end
#
#  140 VAL  HA          143 VAL  HN          4.00    (#   1311:10  Unique         3.14, 3.27 A)
 &rst
  ixpk= 1311, nxpk= 10, iat=2217,2269, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1312   146 GLU  HN          5.00    (#   1312:10  Single Ambig)
 &rst
  ixpk= 1312, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2347,2348,2249,2250, 501, 502,
 &end
#
#    0 AMB  10-2:1313   143 VAL  HN          3.00    (#   1313:10  Single Ambig)
 &rst
  ixpk= 1313, nxpk= 10, iat=  -1,2269, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#    0 AMB  10-2:1314   143 VAL  HN          4.00    (#   1314:10  Single Ambig)
 &rst
  ixpk= 1314, nxpk= 10, iat=  -1,2269, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1838,1839,1840,1842,1843,1844,2294,2295,2296,2298,
      2299,2300,
 &end
#
#  140 VAL  MGY         143 VAL  HN          5.00    (#   1316:10  Unique         4.49, 5.75 A)
 &rst
  ixpk= 1316, nxpk= 10, iat=  -1,2269, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#    0 AMB  10-2:1317     0 AMB  10-1:1317   4.00    (#   1317:10  Double Ambig)
 &rst
  ixpk= 1317, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1175,1176,2247, 695,
 igr2=1209,2269, 760,
 &end
#
#    0 AMB  10-2:1318     0 AMB  10-1:1318   3.00    (#   1318:10  Double Ambig)
 &rst
  ixpk= 1318, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=2273,2249,2250, 749, 750,
 igr2=2269, 760,
 &end
#
#    0 AMB  10-2:1320     0 AMB  10-1:1320   4.00    (#   1320:10  Double Ambig)
 &rst
  ixpk= 1320, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,1230,1231,1232,1234,1235,1236,
 igr2=2269,1209,
 &end
#
#   71 ARG  HN           75 ASP  HN          5.00    (#   1322:10  Unique         4.68, 5.02 A)
 &rst
  ixpk= 1322, nxpk= 10, iat=1147,1209, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 THR  HG1          63 ASN  HD2-        5.00    (#   1324:10  Unique         2.41, 3.89 A)
 &rst
  ixpk= 1324, nxpk= 10, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1036,1037,
 &end
#
#   32 THR  HA           63 ASN  HD2-        5.00    (#   1325:10  Unique         2.19, 3.93 A)
 &rst
  ixpk= 1325, nxpk= 10, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1036,1037,
 &end
#
#    0 AMB  10-2:1329     0 AMB  10-1:1329   5.00    (#   1329:10  Double Ambig)
 &rst
  ixpk= 1329, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 485, 486, 482, 483,
 igr2=1036,1037,1036,1037,
 &end
#
#   30 LYS  HB+          63 ASN  HD2+        4.00    (#   1330:10  Unique         2.18, 3.69 A)
 &rst
  ixpk= 1330, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 479, 480,
 igr2=1036,1037,
 &end
#
#   30 LYS  HB-          63 ASN  HD2+        4.00    (#   1331:10  Unique         2.18, 3.69 A)
 &rst
  ixpk= 1331, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 479, 480,
 igr2=1036,1037,
 &end
#
#    0 AMB  10-2:1332     0 AMB  10-1:1332   5.00    (#   1332:10  Double Ambig)
 &rst
  ixpk= 1332, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 485, 486, 444, 445,
 igr2=1036,1037,1036,1037,
 &end
#
#   85 ALA  MB           84 THR  HN          5.00    (#   1333:10  Unique         4.66, 5.56 A)
 &rst
  ixpk= 1333, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1369,1370,1371,
 &end
#
#    0 AMB  10-2:1335     0 AMB  10-1:1335   4.00    (#   1335:10  Double Ambig)
 &rst
  ixpk= 1335, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 714,2233,
 igr2= 760,2269,
 &end
#
#    0 AMB  10-2:1336     0 AMB  10-1:1336   4.00    (#   1336:10  Double Ambig)
 &rst
  ixpk= 1336, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2252,2253,2252,2253,1283,1284,
 igr2=2269,1209,
 &end
#
#    0 AMB  10-2:1337   143 VAL  HN          5.00    (#   1337:10  Single Ambig)
 &rst
  ixpk= 1337, nxpk= 10, iat=  -1,2269, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=2289,2290,2308,2309,2310,1963,1964,
 &end
#
#    0 AMB  10-2:1339     0 AMB  10-1:1339   3.00    (#   1339:10  Double Ambig)
 &rst
  ixpk= 1339, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 762,1143,
 igr2= 760,1209,
 &end
#
#    0 AMB  10-2:1340     0 AMB  10-1:1340   5.00    (#   1340:10  Double Ambig)
 &rst
  ixpk= 1340, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 772,1149,
 igr2= 760,1209,
 &end
#
#    0 AMB  10-2:1342     0 AMB  10-1:1342   5.00    (#   1342:10  Double Ambig)
 &rst
  ixpk= 1342, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 725, 628, 629,
 igr2= 760,1209,
 &end
#
#   47 ALA  MB           47 ALA  HN          3.00    (#   1344:10  Unique         2.03, 2.85 A)
 &rst
  ixpk= 1344, nxpk= 10, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 764, 765, 766,
 &end
#
#    0 AMB  10-2:1345     0 AMB  10-1:1345   3.00    (#   1345:10  Double Ambig)
 &rst
  ixpk= 1345, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1197, 745,
 igr2=1209, 760,
 &end
#
#   72 SER  HN           75 ASP  HN          4.00    (#   1346:10  Unique         2.97, 3.38 A)
 &rst
  ixpk= 1346, nxpk= 10, iat=1171,1209, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 LEU  HN           75 ASP  HN          3.00    (#   1347:10  Unique         2.21, 2.47 A)
 &rst
  ixpk= 1347, nxpk= 10, iat=1221,1209, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   75 ASP  HB+          75 ASP  HN          3.00    (#   1350:10  Unique         2.04, 3.06 A)
 &rst
  ixpk= 1350, nxpk= 10, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1213,1214,
 &end
#
#   75 ASP  HB-          75 ASP  HN          3.00    (#   1351:10  Unique         2.04, 3.06 A)
 &rst
  ixpk= 1351, nxpk= 10, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1213,1214,
 &end
#
#   74 ASP  HB+          75 ASP  HN          4.00    (#   1352:10  Unique         2.20, 2.99 A)
 &rst
  ixpk= 1352, nxpk= 10, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1201,1202,
 &end
#
#   74 ASP  HB-          75 ASP  HN          4.00    (#   1353:10  Unique         2.20, 2.99 A)
 &rst
  ixpk= 1353, nxpk= 10, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1201,1202,
 &end
#
#    0 AMB  10-2:1354     0 AMB  10-1:1354   4.00    (#   1354:10  Double Ambig)
 &rst
  ixpk= 1354, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 752, 753,2321,2322, 808, 809,
 igr2= 760,2269,
 &end
#
#    0 AMB  10-2:1355     0 AMB  10-1:1355   5.00    (#   1355:10  Double Ambig)
 &rst
  ixpk= 1355, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1228,1283,1284, 733, 734,
 igr2=1209, 760,
 &end
#
#   62 LEU  HN           60 ASP  HN          5.00    (#   1356:10  Unique         2.30, 3.87 A)
 &rst
  ixpk= 1356, nxpk= 10, iat=1008, 979, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 TYR  HA           60 ASP  HN          4.00    (#   1357:10  Unique         2.84, 3.09 A)
 &rst
  ixpk= 1357, nxpk= 10, iat= 943, 979, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   60 ASP  HA           60 ASP  HN          3.00    (#   1358:10  Unique         2.75, 2.89 A)
 &rst
  ixpk= 1358, nxpk= 10, iat= 981, 979, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1361    60 ASP  HN          4.00    (#   1361:10  Single Ambig)
 &rst
  ixpk= 1361, nxpk= 10, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 969, 970, 966, 967, 998, 999,
 &end
#
#   59 GLN  HB-          60 ASP  HN          4.00    (#   1362:10  Unique         3.12, 4.19 A)
 &rst
  ixpk= 1362, nxpk= 10, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 966, 967,
 &end
#
#   61 GLN  HN           60 ASP  HN          3.00    (#   1363:10  Unique         1.76, 2.25 A)
 &rst
  ixpk= 1363, nxpk= 10, iat= 991, 979, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   59 GLN  HN           60 ASP  HN          4.00    (#   1364:10  Unique         2.24, 2.72 A)
 &rst
  ixpk= 1364, nxpk= 10, iat= 962, 979, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLN  HA           60 ASP  HN          4.00    (#   1366:10  Unique         2.74, 3.38 A)
 &rst
  ixpk= 1366, nxpk= 10, iat= 964, 979, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1367    60 ASP  HN          3.00    (#   1367:10  Single Ambig)
 &rst
  ixpk= 1367, nxpk= 10, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 983, 984, 983, 984,
 &end
#
#    0 AMB  10-2:1368    60 ASP  HN          4.00    (#   1368:10  Single Ambig)
 &rst
  ixpk= 1368, nxpk= 10, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 969, 970, 945, 946,
 &end
#
#   99 ASP  HB-          99 ASP  HN          4.00    (#   1370:10  Unique         2.04, 2.93 A)
 &rst
  ixpk= 1370, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1575,1576,
 &end
#
#  100 HIS  HN           99 ASP  HN          3.00    (#   1371:10  Unique         1.80, 2.34 A)
 &rst
  ixpk= 1371, nxpk= 10, iat=1583,1571, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   98 SER  HN           99 ASP  HN          5.00    (#   1372:10  Unique         2.34, 2.93 A)
 &rst
  ixpk= 1372, nxpk= 10, iat=1560,1571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  100 HIS  HA           99 ASP  HN          5.00    (#   1375:10  Unique         3.67, 4.24 A)
 &rst
  ixpk= 1375, nxpk= 10, iat=1585,1571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  111 VAL  HN          110 TYR  HN          4.00    (#   1379:10  Unique         1.76, 2.82 A)
 &rst
  ixpk= 1379, nxpk= 10, iat=1750,1729, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  108 ASN  HD2-        110 TYR  HN          4.00    (#   1380:10  Unique         1.95, 3.47 A)
 &rst
  ixpk= 1380, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1709,1710,
 &end
#
#    0 AMB  10-2:1381   110 TYR  HN          5.00    (#   1381:10  Single Ambig)
 &rst
  ixpk= 1381, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1784,1785,1786,1721,1722,
 &end
#
#  109 GLU  HN          110 TYR  HN          3.00    (#   1382:10  Unique         1.77, 1.89 A)
 &rst
  ixpk= 1382, nxpk= 10, iat=1714,1729, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  108 ASN  HD2+        110 TYR  HN          4.00    (#   1386:10  Unique         1.95, 3.47 A)
 &rst
  ixpk= 1386, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1709,1710,
 &end
#
#  110 TYR  HA          110 TYR  HN          3.00    (#   1387:10  Unique         2.91, 2.94 A)
 &rst
  ixpk= 1387, nxpk= 10, iat=1731,1729, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  108 ASN  HA          110 TYR  HN          4.00    (#   1390:10  Unique         3.44, 3.79 A)
 &rst
  ixpk= 1390, nxpk= 10, iat=1702,1729, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  109 GLU  HA          110 TYR  HN          4.00    (#   1391:10  Unique         2.79, 2.96 A)
 &rst
  ixpk= 1391, nxpk= 10, iat=1716,1729, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  110 TYR  HB-         110 TYR  HN          3.00    (#   1392:10  Unique         3.01, 3.38 A)
 &rst
  ixpk= 1392, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1733,1734,
 &end
#
#  110 TYR  HB+         110 TYR  HN          3.00    (#   1393:10  Unique         3.01, 3.38 A)
 &rst
  ixpk= 1393, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1733,1734,
 &end
#
#  109 GLU  HG-         110 TYR  HN          5.00    (#   1394:10  Unique         4.48, 5.10 A)
 &rst
  ixpk= 1394, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1721,1722,
 &end
#
#    0 AMB  10-2:1395   110 TYR  HN          4.00    (#   1395:10  Single Ambig)
 &rst
  ixpk= 1395, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1718,1719,2041,2042,2043,
 &end
#
#   14 LYS  HN           15 ALA  HN          4.00    (#   1396:10  Unique         2.89, 3.32 A)
 &rst
  ixpk= 1396, nxpk= 10, iat= 218, 240, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 VAL  HB           15 ALA  HN          5.00    (#   1397:10  Unique         2.19, 4.21 A)
 &rst
  ixpk= 1397, nxpk= 10, iat=1536, 240, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 ALA  MB           15 ALA  HN          4.00    (#   1398:10  Unique         2.39, 3.13 A)
 &rst
  ixpk= 1398, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 244, 245, 246,
 &end
#
#   96 VAL  MGX          15 ALA  HN          5.00    (#   1399:10  Unique         1.89, 3.97 A)
 &rst
  ixpk= 1399, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#   96 VAL  MGY          15 ALA  HN          5.00    (#   1400:10  Unique         1.89, 3.97 A)
 &rst
  ixpk= 1400, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#   96 VAL  HN           15 ALA  HN          5.00    (#   1401:10  Unique         3.93, 4.23 A)
 &rst
  ixpk= 1401, nxpk= 10, iat=1532, 240, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1402    15 ALA  HN          4.00    (#   1402:10  Single Ambig)
 &rst
  ixpk= 1402, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 242, 220,
 &end
#
#   55 ARG  HA           56 ASP  HN          4.00    (#   1404:10  Unique         3.64, 3.65 A)
 &rst
  ixpk= 1404, nxpk= 10, iat= 885, 907, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1405    56 ASP  HN          5.00    (#   1405:10  Single Ambig)
 &rst
  ixpk= 1405, nxpk= 10, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 926, 927,1047,1048,1049,1051,1052,1053,
 &end
#
#   14 LYS  HB+          15 ALA  HN          5.00    (#   1406:10  Unique         1.91, 2.79 A)
 &rst
  ixpk= 1406, nxpk= 10, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 222, 223,
 &end
#
#    0 AMB  10-2:1408   106 PHE  HN          5.00    (#   1408:10  Single Ambig)
 &rst
  ixpk= 1408, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1700, 148,
 &end
#
#    0 AMB  10-2:1409   106 PHE  HN          3.00    (#   1409:10  Single Ambig)
 &rst
  ixpk= 1409, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1685,1655,
 &end
#
#  104 ASP  HA          106 PHE  HN          5.00    (#   1411:10  Unique         4.69, 4.88 A)
 &rst
  ixpk= 1411, nxpk= 10, iat=1645,1665, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  105 ALA  HA          106 PHE  HN          4.00    (#   1412:10  Unique         3.58, 3.61 A)
 &rst
  ixpk= 1412, nxpk= 10, iat=1657,1665, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  106 PHE  HA          106 PHE  HN          3.00    (#   1413:10  Unique         2.84, 2.91 A)
 &rst
  ixpk= 1413, nxpk= 10, iat=1667,1665, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1414   106 PHE  HN          4.00    (#   1414:10  Single Ambig)
 &rst
  ixpk= 1414, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1631,1687,
 &end
#
#  103 THR  HB          106 PHE  HN          5.00    (#   1415:10  Unique         5.55, 5.95 A)
 &rst
  ixpk= 1415, nxpk= 10, iat=1633,1665, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 PHE  HB-         106 PHE  HN          3.00    (#   1416:10  Unique         2.11, 2.74 A)
 &rst
  ixpk= 1416, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1669,1670,
 &end
#
#  106 PHE  HB+         106 PHE  HN          3.00    (#   1417:10  Unique         2.11, 2.74 A)
 &rst
  ixpk= 1417, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1669,1670,
 &end
#
#    0 AMB  10-2:1418   106 PHE  HN          5.00    (#   1418:10  Single Ambig)
 &rst
  ixpk= 1418, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1689,1690,1704,1705,
 &end
#
#  105 ALA  MB          106 PHE  HN          3.00    (#   1419:10  Unique         2.24, 3.41 A)
 &rst
  ixpk= 1419, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1659,1660,1661,
 &end
#
#   60 ASP  HN           61 GLN  HN          3.00    (#   1420:10  Unique         1.76, 2.25 A)
 &rst
  ixpk= 1420, nxpk= 10, iat= 979, 991, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 LEU  HN           61 GLN  HN          3.00    (#   1421:10  Unique         1.88, 2.01 A)
 &rst
  ixpk= 1421, nxpk= 10, iat=1008, 991, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   59 GLN  HE2-         61 GLN  HN          5.00    (#   1422:10  Unique         4.09, 5.43 A)
 &rst
  ixpk= 1422, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 974, 975,
 &end
#
#   58 TYR  HA           61 GLN  HN          4.00    (#   1424:10  Unique         3.25, 3.54 A)
 &rst
  ixpk= 1424, nxpk= 10, iat= 943, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   60 ASP  HA           61 GLN  HN          4.00    (#   1426:10  Unique         3.07, 3.25 A)
 &rst
  ixpk= 1426, nxpk= 10, iat= 981, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   61 GLN  HA           61 GLN  HN          3.00    (#   1427:10  Unique         2.86, 2.91 A)
 &rst
  ixpk= 1427, nxpk= 10, iat= 993, 991, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   59 GLN  HA           61 GLN  HN          4.00    (#   1428:10  Unique         3.54, 3.71 A)
 &rst
  ixpk= 1428, nxpk= 10, iat= 964, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 TYR  HB-          61 GLN  HN          5.00    (#   1429:10  Unique         2.22, 3.62 A)
 &rst
  ixpk= 1429, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 945, 946,
 &end
#
#    0 AMB  10-2:1430    61 GLN  HN          4.00    (#   1430:10  Single Ambig)
 &rst
  ixpk= 1430, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 983, 984, 983, 984,
 &end
#
#   58 TYR  HB+          61 GLN  HN          5.00    (#   1431:10  Unique         2.22, 3.62 A)
 &rst
  ixpk= 1431, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 945, 946,
 &end
#
#    0 AMB  10-2:1432    61 GLN  HN          3.00    (#   1432:10  Single Ambig)
 &rst
  ixpk= 1432, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 998, 999, 995, 996,
 &end
#
#   61 GLN  HB-          61 GLN  HN          3.00    (#   1433:10  Unique         2.43, 3.08 A)
 &rst
  ixpk= 1433, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 995, 996,
 &end
#
#   62 LEU  HB+          61 GLN  HN          5.00    (#   1434:10  Unique         4.50, 5.18 A)
 &rst
  ixpk= 1434, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1012,1013,
 &end
#
#   57 LYS  HN           56 ASP  HN          3.00    (#   1435:10  Unique         2.58, 2.65 A)
 &rst
  ixpk= 1435, nxpk= 10, iat= 919, 907, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   55 ARG  HN           56 ASP  HN          4.00    (#   1436:10  Unique         2.78, 2.89 A)
 &rst
  ixpk= 1436, nxpk= 10, iat= 883, 907, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 TYR  HN           56 ASP  HN          5.00    (#   1438:10  Unique         4.02, 4.85 A)
 &rst
  ixpk= 1438, nxpk= 10, iat= 941, 907, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 ARG  HE           56 ASP  HN          4.00    (#   1439:10  Unique         3.02, 4.00 A)
 &rst
  ixpk= 1439, nxpk= 10, iat= 896, 907, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 ASP  HA           56 ASP  HN          3.00    (#   1440:10  Unique         2.71, 2.74 A)
 &rst
  ixpk= 1440, nxpk= 10, iat= 909, 907, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   53 GLU  HA           56 ASP  HN          4.00    (#   1441:10  Unique         3.62, 3.74 A)
 &rst
  ixpk= 1441, nxpk= 10, iat= 850, 907, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1442    56 ASP  HN          5.00    (#   1442:10  Single Ambig)
 &rst
  ixpk= 1442, nxpk= 10, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 820,
 &end
#
#   57 LYS  HE-          56 ASP  HN          5.00    (#   1443:10  Unique         4.48, 5.54 A)
 &rst
  ixpk= 1443, nxpk= 10, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 932, 933,
 &end
#
#   56 ASP  HB+          56 ASP  HN          3.00    (#   1444:10  Unique         2.06, 2.52 A)
 &rst
  ixpk= 1444, nxpk= 10, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 911, 912,
 &end
#
#   55 ARG  HB-          56 ASP  HN          3.00    (#   1445:10  Unique         2.09, 2.92 A)
 &rst
  ixpk= 1445, nxpk= 10, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 887, 888,
 &end
#
#   52 ASN  HA           56 ASP  HN          5.00    (#   1448:10  Unique         3.86, 4.08 A)
 &rst
  ixpk= 1448, nxpk= 10, iat= 836, 907, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 LYS  HA           56 ASP  HN          5.00    (#   1449:10  Unique         4.98, 5.11 A)
 &rst
  ixpk= 1449, nxpk= 10, iat= 921, 907, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1450    56 ASP  HN          3.00    (#   1450:10  Single Ambig)
 &rst
  ixpk= 1450, nxpk= 10, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 887, 888, 890, 891,
 &end
#
#   92 GLN  HN           91 THR  HN          3.00    (#   1451:10  Unique         1.83, 2.16 A)
 &rst
  ixpk= 1451, nxpk= 10, iat=1462,1448, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   18 ASN  HD2+         91 THR  HN          4.00    (#   1452:10  Unique         3.72, 4.45 A)
 &rst
  ixpk= 1452, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 302, 303,
 &end
#
#   91 THR  HB           91 THR  HN          5.00    (#   1454:10  Unique         3.51, 3.62 A)
 &rst
  ixpk= 1454, nxpk= 10, iat=1452,1448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 THR  HA           91 THR  HN          4.00    (#   1455:10  Unique         2.85, 2.91 A)
 &rst
  ixpk= 1455, nxpk= 10, iat=1450,1448, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 ILE  HA           91 THR  HN          3.00    (#   1456:10  Unique         2.18, 2.23 A)
 &rst
  ixpk= 1456, nxpk= 10, iat=1431,1448, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   52 ASN  HB+          91 THR  HN          5.00    (#   1457:10  Unique         2.76, 4.47 A)
 &rst
  ixpk= 1457, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 838, 839,
 &end
#
#    0 AMB  10-2:1458    91 THR  HN          5.00    (#   1458:10  Single Ambig)
 &rst
  ixpk= 1458, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 890, 891,1433, 887, 888,
 &end
#
#   91 THR  MG2          91 THR  HN          3.00    (#   1459:10  Unique         1.91, 2.99 A)
 &rst
  ixpk= 1459, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1454,1455,1456,
 &end
#
#   90 ILE  QG2          91 THR  HN          4.00    (#   1460:10  Unique         3.05, 4.38 A)
 &rst
  ixpk= 1460, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1435,1436,1437,
 &end
#
#   52 ASN  HA           91 THR  HN          5.00    (#   1462:10  Unique         2.65, 3.51 A)
 &rst
  ixpk= 1462, nxpk= 10, iat= 836,1448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1463   125 HIS  HN          3.00    (#   1463:10  Single Ambig)
 &rst
  ixpk= 1463, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1985,1961,
 &end
#
#  124 ARG  HN          125 HIS  HN          3.00    (#   1464:10  Unique         1.86, 2.03 A)
 &rst
  ixpk= 1464, nxpk= 10, iat=1959,1983, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  116 VAL  HN          125 HIS  HN          4.00    (#   1465:10  Unique         2.95, 3.11 A)
 &rst
  ixpk= 1465, nxpk= 10, iat=1832,1983, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  126 PHE  HN          125 HIS  HN          5.00    (#   1467:10  Unique         4.29, 4.34 A)
 &rst
  ixpk= 1467, nxpk= 10, iat=2000,1983, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1468   125 HIS  HN          5.00    (#   1468:10  Single Ambig)
 &rst
  ixpk= 1468, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1850,2002,
 &end
#
#    0 AMB  10-2:1469   125 HIS  HN          5.00    (#   1469:10  Single Ambig)
 &rst
  ixpk= 1469, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1834,1813,
 &end
#
#  123 LEU  HA          125 HIS  HN          4.00    (#   1470:10  Unique         3.60, 3.88 A)
 &rst
  ixpk= 1470, nxpk= 10, iat=1942,1983, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  125 HIS  HB-         125 HIS  HN          4.00    (#   1471:10  Unique         2.81, 3.36 A)
 &rst
  ixpk= 1471, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1987,1988,
 &end
#
#  125 HIS  HB+         125 HIS  HN          4.00    (#   1472:10  Unique         2.81, 3.36 A)
 &rst
  ixpk= 1472, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1987,1988,
 &end
#
#  116 VAL  HB          125 HIS  HN          4.00    (#   1473:10  Unique         2.55, 2.99 A)
 &rst
  ixpk= 1473, nxpk= 10, iat=1836,1983, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  124 ARG  HB+         125 HIS  HN          4.00    (#   1474:10  Unique         2.54, 3.12 A)
 &rst
  ixpk= 1474, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1963,1964,
 &end
#
#  124 ARG  HB-         125 HIS  HN          4.00    (#   1475:10  Unique         2.54, 3.12 A)
 &rst
  ixpk= 1475, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1963,1964,
 &end
#
#    0 AMB  10-2:1476   125 HIS  HN          5.00    (#   1476:10  Single Ambig)
 &rst
  ixpk= 1476, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  47,  48,1944,1945,2198,2199,
 &end
#
#  123 LEU  HG          125 HIS  HN          4.00    (#   1477:10  Unique         3.29, 3.93 A)
 &rst
  ixpk= 1477, nxpk= 10, iat=1947,1983, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1478   125 HIS  HN          5.00    (#   1478:10  Single Ambig)
 &rst
  ixpk= 1478, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  52,  53,  54,  56,  57,  58,2275,2276,2277,2279,
      2280,2281,2275,2276,2277,2279,2280,2281,
 &end
#
#    0 AMB  10-2:1479   125 HIS  HN          3.00    (#   1479:10  Single Ambig)
 &rst
  ixpk= 1479, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1838,1839,1840,1842,1843,1844,1949,1950,1951,1953,
      1954,1955,
 &end
#
#  123 LEU  MDY         125 HIS  HN          3.00    (#   1480:10  Unique         1.95, 4.54 A)
 &rst
  ixpk= 1480, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#   77 ASP  HB+          76 LEU  HN          5.00    (#   1481:10  Unique         3.73, 5.07 A)
 &rst
  ixpk= 1481, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1244,1245,
 &end
#
#   77 ASP  HN           76 LEU  HN          3.00    (#   1482:10  Unique         1.95, 2.60 A)
 &rst
  ixpk= 1482, nxpk= 10, iat=1240,1221, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   75 ASP  HN           76 LEU  HN          3.00    (#   1483:10  Unique         2.21, 2.47 A)
 &rst
  ixpk= 1483, nxpk= 10, iat=1209,1221, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1488    76 LEU  HN          5.00    (#   1488:10  Single Ambig)
 &rst
  ixpk= 1488, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1223,1199,
 &end
#
#   72 SER  HB-          76 LEU  HN          5.00    (#   1489:10  Unique         4.19, 4.93 A)
 &rst
  ixpk= 1489, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1175,1176,
 &end
#
#   75 ASP  HB+          76 LEU  HN          5.00    (#   1490:10  Unique         2.43, 3.63 A)
 &rst
  ixpk= 1490, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1213,1214,
 &end
#
#   75 ASP  HB-          76 LEU  HN          5.00    (#   1491:10  Unique         2.43, 3.63 A)
 &rst
  ixpk= 1491, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1213,1214,
 &end
#
#   77 ASP  HB-          76 LEU  HN          5.00    (#   1492:10  Unique         3.73, 5.07 A)
 &rst
  ixpk= 1492, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1244,1245,
 &end
#
#    0 AMB  10-2:1493    76 LEU  HN          5.00    (#   1493:10  Single Ambig)
 &rst
  ixpk= 1493, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1140,1141,1186,1187,
 &end
#
#   76 LEU  HB+          76 LEU  HN          3.00    (#   1494:10  Unique         1.99, 2.70 A)
 &rst
  ixpk= 1494, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1225,1226,
 &end
#
#   76 LEU  HG           76 LEU  HN          4.00    (#   1495:10  Unique         2.92, 3.45 A)
 &rst
  ixpk= 1495, nxpk= 10, iat=1228,1221, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 LEU  HB-          76 LEU  HN          3.00    (#   1496:10  Unique         1.99, 2.70 A)
 &rst
  ixpk= 1496, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1225,1226,
 &end
#
#   76 LEU  MDY          76 LEU  HN          4.00    (#   1497:10  Unique         2.67, 4.75 A)
 &rst
  ixpk= 1497, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1230,1231,1232,1234,1235,1236,
 &end
#
#   76 LEU  MDX          76 LEU  HN          4.00    (#   1498:10  Unique         2.67, 4.75 A)
 &rst
  ixpk= 1498, nxpk= 10, iat=  -1,1221, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1230,1231,1232,1234,1235,1236,
 &end
#
#   24 GLU  HN           25 GLN  HN          3.00    (#   1500:10  Unique         2.46, 2.81 A)
 &rst
  ixpk= 1500, 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    (#   1501:10  Unique         2.39, 2.41 A)
 &rst
  ixpk= 1501, nxpk= 10, iat= 415, 398, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   22 THR  HB           25 GLN  HN          5.00    (#   1503:10  Unique         2.75, 3.33 A)
 &rst
  ixpk= 1503, nxpk= 10, iat= 349, 398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLN  HA           25 GLN  HN          3.00    (#   1504:10  Unique         2.83, 2.84 A)
 &rst
  ixpk= 1504, 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    (#   1505:10  Unique         3.60, 3.63 A)
 &rst
  ixpk= 1505, nxpk= 10, iat= 385, 398, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 GLN  HG-          25 GLN  HN          4.00    (#   1506:10  Unique         2.59, 3.44 A)
 &rst
  ixpk= 1506, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 405, 406,
 &end
#
#    0 AMB  10-2:1507    25 GLN  HN          3.00    (#   1507:10  Single Ambig)
 &rst
  ixpk= 1507, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 390, 391, 402, 403,
 &end
#
#   25 GLN  HB+          25 GLN  HN          3.00    (#   1508:10  Unique         2.07, 2.86 A)
 &rst
  ixpk= 1508, 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    (#   1509:10  Unique         3.30, 3.74 A)
 &rst
  ixpk= 1509, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 387, 388,
 &end
#
#    0 AMB  10-2:1510    25 GLN  HN          4.00    (#   1510:10  Single Ambig)
 &rst
  ixpk= 1510, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 419, 420, 422, 363, 364,
 &end
#
#   22 THR  MG2          25 GLN  HN          5.00    (#   1511:10  Unique         5.05, 5.66 A)
 &rst
  ixpk= 1511, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 351, 352, 353,
 &end
#
#   21 VAL  MGY          25 GLN  HN          5.00    (#   1512:10  Unique         3.34, 5.73 A)
 &rst
  ixpk= 1512, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 335, 336, 337, 339, 340, 341,
 &end
#
#   27 ILE  HN           25 GLN  HN          5.00    (#   1513:10  Unique         3.91, 4.09 A)
 &rst
  ixpk= 1513, nxpk= 10, iat= 434, 398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  110 TYR  HN          108 ASN  HD2-        5.00    (#   1515:10  Unique         1.95, 3.47 A)
 &rst
  ixpk= 1515, nxpk= 10, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1709,1710,
 &end
#
#  108 ASN  HB+         108 ASN  HD2-        4.00    (#   1517:10  Unique         2.11, 3.35 A)
 &rst
  ixpk= 1517, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1704,1705,
 igr2=1709,1710,
 &end
#
#   69 MET  ME          108 ASN  HD2-        3.00    (#   1518:10  Unique         1.90, 3.30 A)
 &rst
  ixpk= 1518, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1127,1128,1129,
 igr2=1709,1710,
 &end
#
#  108 ASN  HB-         108 ASN  HD2-        4.00    (#   1519:10  Unique         2.11, 3.35 A)
 &rst
  ixpk= 1519, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1704,1705,
 igr2=1709,1710,
 &end
#
#  111 VAL  MGX         108 ASN  HD2+        4.00    (#   1521:10  Unique         1.95, 4.97 A)
 &rst
  ixpk= 1521, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1709,1710,
 &end
#
#  110 TYR  HN          108 ASN  HD2+        5.00    (#   1522:10  Unique         1.95, 3.47 A)
 &rst
  ixpk= 1522, nxpk= 10, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1709,1710,
 &end
#
#  108 ASN  HB+         108 ASN  HD2+        4.00    (#   1524:10  Unique         2.11, 3.35 A)
 &rst
  ixpk= 1524, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1704,1705,
 igr2=1709,1710,
 &end
#
#    0 AMB  10-2:1525     0 AMB  10-1:1525   3.00    (#   1525:10  Double Ambig)
 &rst
  ixpk= 1525, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1127,1128,1129,1120,1121,
 igr2=1709,1710,1709,1710,
 &end
#
#  108 ASN  HB-         108 ASN  HD2+        4.00    (#   1526:10  Unique         2.11, 3.35 A)
 &rst
  ixpk= 1526, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1704,1705,
 igr2=1709,1710,
 &end
#
#  103 THR  MG2         108 ASN  HD2+        5.00    (#   1527:10  Unique         3.14, 5.88 A)
 &rst
  ixpk= 1527, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1635,1636,1637,
 igr2=1709,1710,
 &end
#
#  111 VAL  MGX         108 ASN  HD2-        4.00    (#   1529:10  Unique         1.95, 4.97 A)
 &rst
  ixpk= 1529, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1709,1710,
 &end
#
#   36 PHE  HB+         108 ASN  HD2-        5.00    (#   1530:10  Unique         1.93, 4.04 A)
 &rst
  ixpk= 1530, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 584, 585,
 igr2=1709,1710,
 &end
#
#  103 THR  MG2         108 ASN  HD2+        5.00    (#   1531:10  Unique         3.14, 5.88 A)
 &rst
  ixpk= 1531, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1635,1636,1637,
 igr2=1709,1710,
 &end
#
#  108 ASN  HD2+        108 ASN  HN          5.00    (#   1533:10  Unique         4.20, 5.08 A)
 &rst
  ixpk= 1533, nxpk= 10, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1709,1710,
 &end
#
#  106 PHE  HN            0 AMB  10-1:1534   4.00    (#   1534:10  Single Ambig)
 &rst
  ixpk= 1534, nxpk= 10, iat=1665,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1700, 148,
 &end
#
#  109 GLU  HN          108 ASN  HN          5.00    (#   1535:10  Unique         4.25, 4.52 A)
 &rst
  ixpk= 1535, nxpk= 10, iat=1714,1700, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  108 ASN  HA          108 ASN  HN          3.00    (#   1539:10  Unique         2.52, 2.61 A)
 &rst
  ixpk= 1539, nxpk= 10, iat=1702,1700, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1540   108 ASN  HN          5.00    (#   1540:10  Single Ambig)
 &rst
  ixpk= 1540, nxpk= 10, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1667,1716,
 &end
#
#  103 THR  HA          108 ASN  HN          3.00    (#   1541:10  Unique         1.65, 1.83 A)
 &rst
  ixpk= 1541, nxpk= 10, iat=1631,1700, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  103 THR  HB          108 ASN  HN          5.00    (#   1542:10  Unique         3.16, 4.13 A)
 &rst
  ixpk= 1542, nxpk= 10, iat=1633,1700, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 PHE  HB-         108 ASN  HN          4.00    (#   1543:10  Unique         2.67, 3.95 A)
 &rst
  ixpk= 1543, nxpk= 10, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1669,1670,
 &end
#
#  106 PHE  HB+         108 ASN  HN          4.00    (#   1544:10  Unique         2.67, 3.95 A)
 &rst
  ixpk= 1544, nxpk= 10, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1669,1670,
 &end
#
#  108 ASN  HB+         108 ASN  HN          3.00    (#   1545:10  Unique         2.03, 2.67 A)
 &rst
  ixpk= 1545, nxpk= 10, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1704,1705,
 &end
#
#  108 ASN  HB-         108 ASN  HN          3.00    (#   1546:10  Unique         2.03, 2.67 A)
 &rst
  ixpk= 1546, nxpk= 10, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1704,1705,
 &end
#
#    0 AMB  10-2:1547     0 AMB  10-1:1547   3.00    (#   1547:10  Double Ambig)
 &rst
  ixpk= 1547, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1635,1636,1637,1614,1615,
 igr2=1700, 148,
 &end
#
#    8 PRO  HG+           9 GLU  HN          4.00    (#   1548:10  Unique         2.20, 3.06 A)
 &rst
  ixpk= 1548, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 138, 139,
 &end
#
#   10 LEU  HN            9 GLU  HN          5.00    (#   1549:10  Unique         2.60, 3.36 A)
 &rst
  ixpk= 1549, nxpk= 10, iat= 163, 148, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 PRO  HA            9 GLU  HN          4.00    (#   1550:10  Unique         3.49, 3.53 A)
 &rst
  ixpk= 1550, nxpk= 10, iat= 144, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    9 GLU  HA            9 GLU  HN          3.00    (#   1551:10  Unique         2.80, 2.87 A)
 &rst
  ixpk= 1551, nxpk= 10, iat= 150, 148, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    9 GLU  HG+           9 GLU  HN          4.00    (#   1552:10  Unique         2.35, 3.56 A)
 &rst
  ixpk= 1552, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 155, 156,
 &end
#
#    0 AMB  10-2:1553     9 GLU  HN          3.00    (#   1553:10  Single Ambig)
 &rst
  ixpk= 1553, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 141, 142, 155, 156,
 &end
#
#    9 GLU  HB-           9 GLU  HN          3.00    (#   1554:10  Unique         2.51, 3.43 A)
 &rst
  ixpk= 1554, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 152, 153,
 &end
#
#    9 GLU  HB+           9 GLU  HN          3.00    (#   1555:10  Unique         2.51, 3.43 A)
 &rst
  ixpk= 1555, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 152, 153,
 &end
#
#    0 AMB  10-2:1556     9 GLU  HN          3.00    (#   1556:10  Single Ambig)
 &rst
  ixpk= 1556, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 141, 142,1659,1660,1661,
 &end
#
#    8 PRO  HG-           9 GLU  HN          5.00    (#   1557:10  Unique         2.20, 3.06 A)
 &rst
  ixpk= 1557, nxpk= 10, iat=  -1, 148, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 138, 139,
 &end
#
#  101 ALA  MB           11 THR  HN          5.00    (#   1560:10  Unique         2.47, 3.72 A)
 &rst
  ixpk= 1560, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1604,1605,1606,
 &end
#
#   11 THR  HA           11 THR  HN          4.00    (#   1561:10  Unique         2.92, 2.93 A)
 &rst
  ixpk= 1561, nxpk= 10, iat= 184, 182, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1562    11 THR  HN          5.00    (#   1562:10  Single Ambig)
 &rst
  ixpk= 1562, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 186, 198, 199,
 &end
#
#   10 LEU  MDY          11 THR  HN          5.00    (#   1563:10  Unique         4.00, 5.89 A)
 &rst
  ixpk= 1563, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 172, 173, 174, 176, 177, 178,
 &end
#
#   49 PRO  HD+          50 GLN  HN          4.00    (#   1566:10  Unique         2.25, 2.96 A)
 &rst
  ixpk= 1566, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 788, 789,
 &end
#
#    0 AMB  10-2:1567    50 GLN  HN          5.00    (#   1567:10  Single Ambig)
 &rst
  ixpk= 1567, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 855, 856, 749, 750,
 &end
#
#    0 AMB  10-2:1568    50 GLN  HN          4.00    (#   1568:10  Single Ambig)
 &rst
  ixpk= 1568, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 791, 792, 822,
 &end
#
#   19 GLY  HN           20 GLU  HN          5.00    (#   1570:10  Unique         3.26, 3.83 A)
 &rst
  ixpk= 1570, nxpk= 10, iat= 307, 314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 GLY  HA-          20 GLU  HN          3.00    (#   1571:10  Unique         2.21, 2.72 A)
 &rst
  ixpk= 1571, nxpk= 10, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 309, 310,
 &end
#
#   20 GLU  HG-          20 GLU  HN          4.00    (#   1573:10  Unique         1.92, 3.82 A)
 &rst
  ixpk= 1573, nxpk= 10, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 321, 322,
 &end
#
#   20 GLU  HB+          20 GLU  HN          3.00    (#   1574:10  Unique         2.03, 2.97 A)
 &rst
  ixpk= 1574, nxpk= 10, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 318, 319,
 &end
#
#   21 VAL  HN           20 GLU  HN          5.00    (#   1575:10  Unique         2.44, 4.20 A)
 &rst
  ixpk= 1575, nxpk= 10, iat= 329, 314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 GLY  HA+          20 GLU  HN          3.00    (#   1577:10  Unique         2.21, 2.72 A)
 &rst
  ixpk= 1577, nxpk= 10, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 309, 310,
 &end
#
#   20 GLU  HA           20 GLU  HN          4.00    (#   1578:10  Unique         2.18, 2.67 A)
 &rst
  ixpk= 1578, nxpk= 10, iat= 316, 314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 GLU  HG+          20 GLU  HN          5.00    (#   1579:10  Unique         1.92, 3.82 A)
 &rst
  ixpk= 1579, nxpk= 10, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 321, 322,
 &end
#
#   20 GLU  HB-          20 GLU  HN          3.00    (#   1580:10  Unique         2.03, 2.97 A)
 &rst
  ixpk= 1580, nxpk= 10, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 318, 319,
 &end
#
#   10 LEU  MDY          11 THR  HN          5.00    (#   1585:10  Unique         4.00, 5.89 A)
 &rst
  ixpk= 1585, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 172, 173, 174, 176, 177, 178,
 &end
#
#   11 THR  MG2          11 THR  HN          4.00    (#   1587:10  Unique         1.92, 3.01 A)
 &rst
  ixpk= 1587, 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    (#   1588:10  Unique         2.90, 5.83 A)
 &rst
  ixpk= 1588, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#  100 HIS  HD2          11 THR  HN          5.00    (#   1589:10  Unique         5.50, 8.00 A)
 &rst
  ixpk= 1589, nxpk= 10, iat=1596, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 LEU  HA           11 THR  HN          3.00    (#   1590:10  Unique         2.20, 2.34 A)
 &rst
  ixpk= 1590, nxpk= 10, iat= 165, 182, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   23 ARG  HN           24 GLU  HN          3.00    (#   1593:10  Unique         2.69, 2.95 A)
 &rst
  ixpk= 1593, nxpk= 10, iat= 359, 383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   26 LEU  HN           24 GLU  HN          5.00    (#   1594:10  Unique         3.43, 3.70 A)
 &rst
  ixpk= 1594, nxpk= 10, iat= 415, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLN  HN           24 GLU  HN          3.00    (#   1595:10  Unique         2.46, 2.81 A)
 &rst
  ixpk= 1595, nxpk= 10, iat= 398, 383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   22 THR  HA           24 GLU  HN          4.00    (#   1596:10  Unique         3.89, 4.26 A)
 &rst
  ixpk= 1596, nxpk= 10, iat= 347, 383, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 THR  HB           24 GLU  HN          3.00    (#   1597:10  Unique         2.32, 2.57 A)
 &rst
  ixpk= 1597, nxpk= 10, iat= 349, 383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 GLU  HA           24 GLU  HN          3.00    (#   1599:10  Unique         2.66, 2.74 A)
 &rst
  ixpk= 1599, nxpk= 10, iat= 385, 383, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 GLU  HG-          24 GLU  HN          4.00    (#   1600:10  Unique         1.93, 2.64 A)
 &rst
  ixpk= 1600, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 390, 391,
 &end
#
#   24 GLU  HG+          24 GLU  HN          4.00    (#   1601:10  Unique         1.93, 2.64 A)
 &rst
  ixpk= 1601, 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    (#   1602:10  Unique         2.40, 3.06 A)
 &rst
  ixpk= 1602, 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    (#   1603:10  Unique         2.40, 3.06 A)
 &rst
  ixpk= 1603, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 387, 388,
 &end
#
#   23 ARG  HB+          24 GLU  HN          4.00    (#   1604:10  Unique         2.67, 3.84 A)
 &rst
  ixpk= 1604, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 363, 364,
 &end
#
#   23 ARG  HG-          24 GLU  HN          4.00    (#   1605:10  Unique         1.91, 2.61 A)
 &rst
  ixpk= 1605, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 366, 367,
 &end
#
#   27 ILE  HG1-         24 GLU  HN          5.00    (#   1606:10  Unique         4.38, 4.89 A)
 &rst
  ixpk= 1606, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 444, 445,
 &end
#
#   22 THR  MG2          24 GLU  HN          4.00    (#   1607:10  Unique         3.62, 4.80 A)
 &rst
  ixpk= 1607, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 351, 352, 353,
 &end
#
#    0 AMB  10-2:1608    24 GLU  HN          5.00    (#   1608:10  Single Ambig)
 &rst
  ixpk= 1608, nxpk= 10, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 447, 448, 449, 335, 336, 337, 339, 340, 341,
 &end
#
#   52 ASN  HN           50 GLN  HN          4.00    (#   1609:10  Unique         4.00, 4.08 A)
 &rst
  ixpk= 1609, nxpk= 10, iat= 834, 801, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 VAL  HN           50 GLN  HN          3.00    (#   1610:10  Unique         2.35, 2.47 A)
 &rst
  ixpk= 1610, nxpk= 10, iat= 818, 801, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 ALA  HA           50 GLN  HN          4.00    (#   1611:10  Unique         2.96, 3.01 A)
 &rst
  ixpk= 1611, nxpk= 10, iat= 762, 801, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 MET  HA           50 GLN  HN          5.00    (#   1612:10  Unique         4.33, 4.52 A)
 &rst
  ixpk= 1612, nxpk= 10, iat= 772, 801, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 PRO  HA           50 GLN  HN          4.00    (#   1613:10  Unique         3.44, 3.47 A)
 &rst
  ixpk= 1613, nxpk= 10, iat= 797, 801, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   50 GLN  HA           50 GLN  HN          3.00    (#   1614:10  Unique         2.79, 2.82 A)
 &rst
  ixpk= 1614, nxpk= 10, iat= 803, 801, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   49 PRO  HD-          50 GLN  HN          4.00    (#   1615:10  Unique         2.25, 2.96 A)
 &rst
  ixpk= 1615, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 788, 789,
 &end
#
#   49 PRO  HB-          50 GLN  HN          4.00    (#   1616:10  Unique         3.20, 3.83 A)
 &rst
  ixpk= 1616, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 794, 795,
 &end
#
#    0 AMB  10-2:1617    50 GLN  HN          3.00    (#   1617:10  Single Ambig)
 &rst
  ixpk= 1617, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 808, 809, 805, 806,
 &end
#
#   50 GLN  HB+          50 GLN  HN          3.00    (#   1618:10  Unique         2.23, 2.96 A)
 &rst
  ixpk= 1618, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 805, 806,
 &end
#
#   49 PRO  HB+          50 GLN  HN          4.00    (#   1619:10  Unique         3.20, 3.83 A)
 &rst
  ixpk= 1619, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 794, 795,
 &end
#
#   51 VAL  MGY          50 GLN  HN          5.00    (#   1620:10  Unique         4.59, 6.16 A)
 &rst
  ixpk= 1620, nxpk= 10, iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#   57 LYS  HN           58 TYR  HN          3.00    (#   1624:10  Unique         2.42, 2.82 A)
 &rst
  ixpk= 1624, nxpk= 10, iat= 919, 941, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   56 ASP  HN           58 TYR  HN          5.00    (#   1625:10  Unique         4.02, 4.85 A)
 &rst
  ixpk= 1625, nxpk= 10, iat= 907, 941, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 GLN  HN           58 TYR  HN          3.00    (#   1626:10  Unique         1.92, 2.64 A)
 &rst
  ixpk= 1626, nxpk= 10, iat= 962, 941, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   58 TYR  HA           58 TYR  HN          3.00    (#   1628:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 1628, nxpk= 10, iat= 943, 941, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   54 PHE  HA           58 TYR  HN          5.00    (#   1629:10  Unique         3.60, 4.41 A)
 &rst
  ixpk= 1629, nxpk= 10, iat= 865, 941, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 LYS  HA           58 TYR  HN          4.00    (#   1630:10  Unique         3.58, 3.63 A)
 &rst
  ixpk= 1630, nxpk= 10, iat= 921, 941, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   55 ARG  HA           58 TYR  HN          5.00    (#   1631:10  Unique         3.24, 3.75 A)
 &rst
  ixpk= 1631, nxpk= 10, iat= 885, 941, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 TYR  HB-          58 TYR  HN          3.00    (#   1632:10  Unique         2.19, 3.24 A)
 &rst
  ixpk= 1632, nxpk= 10, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 945, 946,
 &end
#
#   58 TYR  HB+          58 TYR  HN          3.00    (#   1633:10  Unique         2.19, 3.24 A)
 &rst
  ixpk= 1633, nxpk= 10, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 945, 946,
 &end
#
#    0 AMB  10-2:1634    58 TYR  HN          4.00    (#   1634:10  Single Ambig)
 &rst
  ixpk= 1634, nxpk= 10, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 966, 967, 969, 970,
 &end
#
#    0 AMB  10-2:1635    58 TYR  HN          5.00    (#   1635:10  Single Ambig)
 &rst
  ixpk= 1635, nxpk= 10, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 966, 967,2161,2162,
 &end
#
#   57 LYS  HB-          58 TYR  HN          4.00    (#   1636:10  Unique         2.24, 2.86 A)
 &rst
  ixpk= 1636, nxpk= 10, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 923, 924,
 &end
#
#   57 LYS  HB+          58 TYR  HN          3.00    (#   1637:10  Unique         2.24, 2.86 A)
 &rst
  ixpk= 1637, nxpk= 10, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 923, 924,
 &end
#
#    0 AMB  10-2:1638    58 TYR  HN          5.00    (#   1638:10  Single Ambig)
 &rst
  ixpk= 1638, nxpk= 10, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 926, 927,1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  10-2:1639    58 TYR  HN          5.00    (#   1639:10  Single Ambig)
 &rst
  ixpk= 1639, nxpk= 10, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 926, 927,1017,1018,1019,1021,1022,1023,
 &end
#
#  146 GLU  HN          147 THR  HN          3.00    (#   1643:10  Unique         1.85, 2.19 A)
 &rst
  ixpk= 1643, nxpk= 10, iat=2314,2329, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  147 THR  HA          147 THR  HN          3.00    (#   1648:10  Unique         2.79, 2.90 A)
 &rst
  ixpk= 1648, nxpk= 10, iat=2331,2329, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1649   147 THR  HN          4.00    (#   1649:10  Single Ambig)
 &rst
  ixpk= 1649, nxpk= 10, iat=  -1,2329, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2316,2306,
 &end
#
#  144 LEU  HA          147 THR  HN          5.00    (#   1650:10  Unique         3.18, 3.42 A)
 &rst
  ixpk= 1650, nxpk= 10, iat=2287,2329, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  146 GLU  HG+         147 THR  HN          5.00    (#   1651:10  Unique         3.12, 4.55 A)
 &rst
  ixpk= 1651, nxpk= 10, iat=  -1,2329, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2321,2322,
 &end
#
#  146 GLU  HB-         147 THR  HN          4.00    (#   1652:10  Unique         2.62, 3.97 A)
 &rst
  ixpk= 1652, nxpk= 10, iat=  -1,2329, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2318,2319,
 &end
#
#    0 AMB  10-2:1653   147 THR  HN          5.00    (#   1653:10  Single Ambig)
 &rst
  ixpk= 1653, nxpk= 10, iat=  -1,2329, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=2308,2309,2310,2289,2290,
 &end
#
#  147 THR  MG2         147 THR  HN          4.00    (#   1654:10  Unique         2.68, 4.21 A)
 &rst
  ixpk= 1654, nxpk= 10, iat=  -1,2329, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2335,2336,2337,
 &end
#
#   56 ASP  HA           58 TYR  HN          5.00    (#   1656:10  Unique         4.34, 4.75 A)
 &rst
  ixpk= 1656, nxpk= 10, iat= 909, 941, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 GLU  HA           88 HIS  HN          4.00    (#   1660:10  Unique         3.10, 3.46 A)
 &rst
  ixpk= 1660, nxpk= 10, iat=1387,1400, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN  HB+          18 ASN  HN          5.00    (#   1662:10  Unique         3.21, 3.74 A)
 &rst
  ixpk= 1662, nxpk= 10, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 297, 298,
 &end
#
#   88 HIS  HE1          88 HIS  HN          5.00    (#   1668:10  Unique         5.04, 5.14 A)
 &rst
  ixpk= 1668, nxpk= 10, iat=1410,1400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 ASP  HN           88 HIS  HN          3.00    (#   1669:10  Unique         1.88, 2.36 A)
 &rst
  ixpk= 1669, nxpk= 10, iat=1417,1400, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 HIS  HA           88 HIS  HN          4.00    (#   1670:10  Unique         2.80, 2.86 A)
 &rst
  ixpk= 1670, nxpk= 10, iat=1402,1400, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1671    88 HIS  HN          4.00    (#   1671:10  Single Ambig)
 &rst
  ixpk= 1671, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1377,1419,1353,
 &end
#
#   88 HIS  HB-          88 HIS  HN          4.00    (#   1672:10  Unique         2.28, 3.03 A)
 &rst
  ixpk= 1672, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1404,1405,
 &end
#
#   87 GLU  HB-          88 HIS  HN          4.00    (#   1673:10  Unique         2.86, 3.71 A)
 &rst
  ixpk= 1673, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1389,1390,
 &end
#
#   87 GLU  HB+          88 HIS  HN          4.00    (#   1674:10  Unique         2.86, 3.71 A)
 &rst
  ixpk= 1674, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1389,1390,
 &end
#
#    0 AMB  10-2:1675    88 HIS  HN          5.00    (#   1675:10  Single Ambig)
 &rst
  ixpk= 1675, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1357,1358,1359,1379,1380,1381, 781, 782, 783,
 &end
#
#   87 GLU  HN           88 HIS  HN          3.00    (#   1676:10  Unique         2.00, 2.24 A)
 &rst
  ixpk= 1676, nxpk= 10, iat=1385,1400, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 HIS  HB+          88 HIS  HN          4.00    (#   1677:10  Unique         2.28, 3.03 A)
 &rst
  ixpk= 1677, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1404,1405,
 &end
#
#   19 GLY  HN           18 ASN  HN          4.00    (#   1678:10  Unique         2.67, 3.08 A)
 &rst
  ixpk= 1678, nxpk= 10, iat= 307, 293, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 LEU  HA           18 ASN  HN          3.00    (#   1679:10  Unique         2.18, 2.21 A)
 &rst
  ixpk= 1679, 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    (#   1681:10  Unique         2.17, 2.20 A)
 &rst
  ixpk= 1681, nxpk= 10, iat= 295, 293, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   18 ASN  HB-          18 ASN  HN          5.00    (#   1682:10  Unique         3.21, 3.74 A)
 &rst
  ixpk= 1682, nxpk= 10, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 297, 298,
 &end
#
#    0 AMB  10-2:1683    18 ASN  HN          4.00    (#   1683:10  Single Ambig)
 &rst
  ixpk= 1683, nxpk= 10, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 278, 279, 281,
 &end
#
#   17 LEU  MDY          18 ASN  HN          4.00    (#   1684:10  Unique         1.97, 4.86 A)
 &rst
  ixpk= 1684, nxpk= 10, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#   17 LEU  HB-          18 ASN  HN          5.00    (#   1685:10  Unique         3.04, 3.95 A)
 &rst
  ixpk= 1685, nxpk= 10, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 278, 279,
 &end
#
#   91 THR  HA           18 ASN  HD2+        4.00    (#   1687:10  Unique         1.86, 2.63 A)
 &rst
  ixpk= 1687, nxpk= 10, iat=1450,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 302, 303,
 &end
#
#   18 ASN  HB-          18 ASN  HD2+        4.00    (#   1688:10  Unique         2.11, 3.22 A)
 &rst
  ixpk= 1688, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 297, 298,
 igr2= 302, 303,
 &end
#
#   94 ILE  HG1+         18 ASN  HD2+        5.00    (#   1689:10  Unique         2.04, 4.49 A)
 &rst
  ixpk= 1689, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1503,1504,
 igr2= 302, 303,
 &end
#
#    0 AMB  10-2:1690     0 AMB  10-1:1690   4.00    (#   1690:10  Double Ambig)
 &rst
  ixpk= 1690, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1506,1507,1508, 283, 284, 285, 287, 288, 289,
 igr2= 302, 303, 302, 303,
 &end
#
#    0 AMB  10-2:1691     0 AMB  10-1:1691   5.00    (#   1691:10  Double Ambig)
 &rst
  ixpk= 1691, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 295,1452,
 igr2= 302, 303, 302, 303,
 &end
#
#   18 ASN  HB+          18 ASN  HD2+        4.00    (#   1692:10  Unique         2.11, 3.22 A)
 &rst
  ixpk= 1692, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 297, 298,
 igr2= 302, 303,
 &end
#
#    0 AMB  10-2:1695    18 ASN  HD2-        5.00    (#   1695:10  Single Ambig)
 &rst
  ixpk= 1695, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 295,1452,
 igr2= 302, 303,
 &end
#
#   91 THR  HA           18 ASN  HD2-        3.00    (#   1696:10  Unique         1.86, 2.63 A)
 &rst
  ixpk= 1696, nxpk= 10, iat=1450,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 302, 303,
 &end
#
#   18 ASN  HB-          18 ASN  HD2-        4.00    (#   1697:10  Unique         2.11, 3.22 A)
 &rst
  ixpk= 1697, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 297, 298,
 igr2= 302, 303,
 &end
#
#   18 ASN  HB+          18 ASN  HD2-        4.00    (#   1698:10  Unique         2.11, 3.22 A)
 &rst
  ixpk= 1698, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 297, 298,
 igr2= 302, 303,
 &end
#
#   94 ILE  HG1+         18 ASN  HD2-        5.00    (#   1699:10  Unique         2.04, 4.49 A)
 &rst
  ixpk= 1699, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1503,1504,
 igr2= 302, 303,
 &end
#
#    0 AMB  10-2:1700    18 ASN  HD2-        4.00    (#   1700:10  Single Ambig)
 &rst
  ixpk= 1700, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1506,1507,1508, 283, 284, 285, 287, 288, 289,
 igr2= 302, 303,
 &end
#
#   90 ILE  QG2          18 ASN  HD2-        5.00    (#   1701:10  Unique         2.36, 5.20 A)
 &rst
  ixpk= 1701, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1435,1436,1437,
 igr2= 302, 303,
 &end
#
#  100 HIS  HD2         100 HIS  HN          4.00    (#   1704:10  Unique         2.35, 3.38 A)
 &rst
  ixpk= 1704, nxpk= 10, iat=1596,1583, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  100 HIS  HB+         100 HIS  HN          4.00    (#   1705:10  Unique         2.94, 3.78 A)
 &rst
  ixpk= 1705, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1587,1588,
 &end
#
#   99 ASP  HB-         100 HIS  HN          5.00    (#   1706:10  Unique         2.10, 3.16 A)
 &rst
  ixpk= 1706, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1575,1576,
 &end
#
#  101 ALA  MB          100 HIS  HN          5.00    (#   1708:10  Unique         4.26, 5.53 A)
 &rst
  ixpk= 1708, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1604,1605,1606,
 &end
#
#   99 ASP  HN          100 HIS  HN          3.00    (#   1709:10  Unique         1.80, 2.34 A)
 &rst
  ixpk= 1709, nxpk= 10, iat=1571,1583, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  101 ALA  HN          100 HIS  HN          4.00    (#   1710:10  Unique         2.52, 3.00 A)
 &rst
  ixpk= 1710, nxpk= 10, iat=1600,1583, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  100 HIS  HA          100 HIS  HN          3.00    (#   1711:10  Unique         2.19, 2.28 A)
 &rst
  ixpk= 1711, nxpk= 10, iat=1585,1583, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1712   100 HIS  HN          5.00    (#   1712:10  Single Ambig)
 &rst
  ixpk= 1712, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 198, 199,1602,
 &end
#
#    0 AMB  10-2:1713   100 HIS  HN          5.00    (#   1713:10  Single Ambig)
 &rst
  ixpk= 1713, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1591,1562,1524,
 &end
#
#  100 HIS  HB-         100 HIS  HN          4.00    (#   1715:10  Unique         2.94, 3.78 A)
 &rst
  ixpk= 1715, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1587,1588,
 &end
#
#   98 SER  HA           98 SER  HN          4.00    (#   1716:10  Unique         2.21, 2.70 A)
 &rst
  ixpk= 1716, nxpk= 10, iat=1562,1560, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  123 LEU  HN            4 ARG  HN          5.00    (#   1718:10  Unique         3.44, 4.01 A)
 &rst
  ixpk= 1718, nxpk= 10, iat=1940,  62, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 GLN  HN            4 ARG  HN          4.00    (#   1719:10  Unique         1.77, 2.58 A)
 &rst
  ixpk= 1719, 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    (#   1720:10  Unique         2.23, 2.49 A)
 &rst
  ixpk= 1720, 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    (#   1721:10  Unique         2.16, 2.23 A)
 &rst
  ixpk= 1721, nxpk= 10, iat=  64,  62, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1722     4 ARG  HN          5.00    (#   1722:10  Single Ambig)
 &rst
  ixpk= 1722, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  72,  73,  72,  73,
 &end
#
#    4 ARG  HB-           4 ARG  HN          4.00    (#   1723:10  Unique         2.92, 3.76 A)
 &rst
  ixpk= 1723, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  66,  67,
 &end
#
#    0 AMB  10-2:1724     4 ARG  HN          4.00    (#   1724:10  Single Ambig)
 &rst
  ixpk= 1724, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  66,  67,1930,1931,1927,1928,
 &end
#
#  123 LEU  HB-           4 ARG  HN          4.00    (#   1725:10  Unique         1.92, 3.30 A)
 &rst
  ixpk= 1725, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1944,1945,
 &end
#
#    3 LEU  HB+           4 ARG  HN          4.00    (#   1726:10  Unique         2.39, 3.19 A)
 &rst
  ixpk= 1726, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  47,  48,
 &end
#
#    4 ARG  HG-           4 ARG  HN          4.00    (#   1727:10  Unique         2.38, 3.42 A)
 &rst
  ixpk= 1727, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  69,  70,
 &end
#
#  123 LEU  HG            4 ARG  HN          5.00    (#   1728:10  Unique         3.03, 4.08 A)
 &rst
  ixpk= 1728, nxpk= 10, iat=1947,  62, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 LEU  MDY           4 ARG  HN          4.00    (#   1729:10  Unique         3.92, 5.35 A)
 &rst
  ixpk= 1729, 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
#
#  124 ARG  HA            4 ARG  HN          5.00    (#   1730:10  Unique         3.46, 4.56 A)
 &rst
  ixpk= 1730, nxpk= 10, iat=1961,  62, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 ARG  HG+           4 ARG  HN          4.00    (#   1732:10  Unique         2.38, 3.42 A)
 &rst
  ixpk= 1732, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  69,  70,
 &end
#
#    0 AMB  10-2:1733     4 ARG  HN          4.00    (#   1733:10  Single Ambig)
 &rst
  ixpk= 1733, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1944,1945,  47,  48,
 &end
#
#    3 LEU  MDX           4 ARG  HN          5.00    (#   1734:10  Unique         3.92, 5.35 A)
 &rst
  ixpk= 1734, 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
#
#  117 PHE  HN           32 THR  HN          4.00    (#   1735:10  Unique         2.94, 3.21 A)
 &rst
  ixpk= 1735, nxpk= 10, iat=1848, 511, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 THR  HA           32 THR  HN          4.00    (#   1736:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 1736, nxpk= 10, iat= 513, 511, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  118 ASP  HA           32 THR  HN          5.00    (#   1737:10  Unique         4.12, 4.44 A)
 &rst
  ixpk= 1737, nxpk= 10, iat=1870, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HB+          32 THR  HN          5.00    (#   1738:10  Unique         2.41, 3.19 A)
 &rst
  ixpk= 1738, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1852,1853,
 &end
#
#   31 PRO  HB-          32 THR  HN          4.00    (#   1739:10  Unique         2.82, 3.25 A)
 &rst
  ixpk= 1739, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 504, 505,
 &end
#
#    7 MET  ME           32 THR  HN          5.00    (#   1740:10  Unique         3.62, 5.06 A)
 &rst
  ixpk= 1740, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 128, 129, 130,
 &end
#
#   32 THR  MG2          32 THR  HN          4.00    (#   1741:10  Unique         3.74, 4.41 A)
 &rst
  ixpk= 1741, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 517, 518, 519,
 &end
#
#   32 THR  HG1          32 THR  HN          4.00    (#   1743:10  Unique         3.30, 3.70 A)
 &rst
  ixpk= 1743, nxpk= 10, iat= 521, 511, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1744    32 THR  HN          5.00    (#   1744:10  Single Ambig)
 &rst
  ixpk= 1744, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1834,1029,
 &end
#
#   31 PRO  HA           32 THR  HN          3.00    (#   1746:10  Unique         2.26, 2.34 A)
 &rst
  ixpk= 1746, 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    (#   1748:10  Unique         2.18, 2.31 A)
 &rst
  ixpk= 1748, nxpk= 10, iat= 515, 511, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  117 PHE  HB-          32 THR  HN          4.00    (#   1749:10  Unique         2.41, 3.19 A)
 &rst
  ixpk= 1749, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1852,1853,
 &end
#
#    0 AMB  10-2:1750    32 THR  HN          3.00    (#   1750:10  Single Ambig)
 &rst
  ixpk= 1750, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 504, 505,1012,1013,
 &end
#
#    0 AMB  10-2:1751    32 THR  HN          5.00    (#   1751:10  Single Ambig)
 &rst
  ixpk= 1751, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#    0 AMB  10-2:1752    32 THR  HN          4.00    (#   1752:10  Single Ambig)
 &rst
  ixpk= 1752, nxpk= 10, iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1017,1018,1019,1021,1022,1023, 424, 425, 426, 428,
       429, 430,
 &end
#
#    0 AMB  10-2:1756     5 GLN  HE2-        5.00    (#   1756:10  Single Ambig)
 &rst
  ixpk= 1756, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  88,  23,
 igr2=  98,  99,
 &end
#
#    1 MET  HA            5 GLN  HE2-        5.00    (#   1757:10  Unique         1.85, 3.83 A)
 &rst
  ixpk= 1757, nxpk= 10, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  98,  99,
 &end
#
#    5 GLN  HG+           5 GLN  HE2-        3.00    (#   1758:10  Unique         2.59, 3.59 A)
 &rst
  ixpk= 1758, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  93,  94,
 igr2=  98,  99,
 &end
#
#    5 GLN  HB-           5 GLN  HE2-        5.00    (#   1759:10  Unique         1.76, 2.97 A)
 &rst
  ixpk= 1759, 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  10-2:1760     5 GLN  HE2-        5.00    (#   1760:10  Single Ambig)
 &rst
  ixpk= 1760, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  15,  16,  17,1659,1660,1661,
 igr2=  98,  99,
 &end
#
#    5 GLN  HN            5 GLN  HE2+        4.00    (#   1768:10  Unique         2.88, 4.75 A)
 &rst
  ixpk= 1768, nxpk= 10, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  98,  99,
 &end
#
#    1 MET  HA            5 GLN  HE2+        5.00    (#   1772:10  Unique         1.85, 3.83 A)
 &rst
  ixpk= 1772, nxpk= 10, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  98,  99,
 &end
#
#    0 AMB  10-2:1773     0 AMB  10-1:1773   3.00    (#   1773:10  Double Ambig)
 &rst
  ixpk= 1773, 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
#
#    0 AMB  10-2:1774     0 AMB  10-1:1774   5.00    (#   1774:10  Double Ambig)
 &rst
  ixpk= 1774, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  15,  16,  17,1659,1660,1661,
 igr2=  98,  99,  98,  99,
 &end
#
#    8 PRO  HG-           5 GLN  HE2+        5.00    (#   1775:10  Unique         1.91, 4.99 A)
 &rst
  ixpk= 1775, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 138, 139,
 igr2=  98,  99,
 &end
#
#   71 ARG  HN           72 SER  HN          3.00    (#   1778:10  Unique         2.31, 2.47 A)
 &rst
  ixpk= 1778, nxpk= 10, iat=1147,1171, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   75 ASP  HN           72 SER  HN          4.00    (#   1779:10  Unique         2.97, 3.38 A)
 &rst
  ixpk= 1779, nxpk= 10, iat=1209,1171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 SER  HA           72 SER  HN          3.00    (#   1781:10  Unique         2.88, 2.89 A)
 &rst
  ixpk= 1781, nxpk= 10, iat=1173,1171, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   70 PRO  HA           72 SER  HN          4.00    (#   1782:10  Unique         2.84, 3.13 A)
 &rst
  ixpk= 1782, nxpk= 10, iat=1143,1171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   71 ARG  HA           72 SER  HN          4.00    (#   1783:10  Unique         3.28, 3.45 A)
 &rst
  ixpk= 1783, nxpk= 10, iat=1149,1171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 SER  HB-          72 SER  HN          4.00    (#   1784:10  Unique         2.30, 3.08 A)
 &rst
  ixpk= 1784, nxpk= 10, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1175,1176,
 &end
#
#   72 SER  HB+          72 SER  HN          5.00    (#   1785:10  Unique         2.30, 3.08 A)
 &rst
  ixpk= 1785, nxpk= 10, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1175,1176,
 &end
#
#   75 ASP  HB+          72 SER  HN          4.00    (#   1786:10  Unique         2.18, 3.54 A)
 &rst
  ixpk= 1786, nxpk= 10, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1213,1214,
 &end
#
#   75 ASP  HB-          72 SER  HN          4.00    (#   1787:10  Unique         2.18, 3.54 A)
 &rst
  ixpk= 1787, nxpk= 10, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1213,1214,
 &end
#
#   70 PRO  HB-          72 SER  HN          5.00    (#   1788:10  Unique         4.22, 4.85 A)
 &rst
  ixpk= 1788, nxpk= 10, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1140,1141,
 &end
#
#   71 ARG  HB-          72 SER  HN          4.00    (#   1789:10  Unique         2.43, 3.55 A)
 &rst
  ixpk= 1789, nxpk= 10, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1151,1152,
 &end
#
#   71 ARG  HB+          72 SER  HN          4.00    (#   1790:10  Unique         2.43, 3.55 A)
 &rst
  ixpk= 1790, nxpk= 10, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1151,1152,
 &end
#
#  132 GLY  HA+          50 GLN  HE2-        4.00    (#   1801:10  Unique         1.96, 5.25 A)
 &rst
  ixpk= 1801, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2074,2075,
 igr2= 813, 814,
 &end
#
#    0 AMB  10-2:1803    50 GLN  HE2-        5.00    (#   1803:10  Single Ambig)
 &rst
  ixpk= 1803, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2074,2075, 803,
 igr2= 813, 814,
 &end
#
#    0 AMB  10-2:1805    50 GLN  HE2-        5.00    (#   1805:10  Single Ambig)
 &rst
  ixpk= 1805, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 805, 806,2083,2084,
 igr2= 813, 814,
 &end
#
#  134 LYS  HD-          50 GLN  HE2-        5.00    (#   1807:10  Unique         1.93, 4.48 A)
 &rst
  ixpk= 1807, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2106,2107,
 igr2= 813, 814,
 &end
#
#   37 TRP  HA           38 SER  HN          4.00    (#   1815:10  Unique         2.32, 2.44 A)
 &rst
  ixpk= 1815, nxpk= 10, iat= 602, 624, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   47 ALA  HA           50 GLN  HE2+        5.00    (#   1818:10  Unique         3.70, 5.12 A)
 &rst
  ixpk= 1818, nxpk= 10, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 813, 814,
 &end
#
#    0 AMB  10-2:1819     0 AMB  10-1:1819   5.00    (#   1819:10  Double Ambig)
 &rst
  ixpk= 1819, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2074,2075, 803,
 igr2= 813, 814, 813, 814,
 &end
#
#    0 AMB  10-2:1820     0 AMB  10-1:1820   4.00    (#   1820:10  Double Ambig)
 &rst
  ixpk= 1820, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 805, 806, 808, 809,
 igr2= 813, 814, 813, 814,
 &end
#
#    0 AMB  10-2:1821     0 AMB  10-1:1821   5.00    (#   1821:10  Double Ambig)
 &rst
  ixpk= 1821, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 805, 806,2083,2084,
 igr2= 813, 814, 813, 814,
 &end
#
#   47 ALA  HA           50 GLN  HE2-        5.00    (#   1836:10  Unique         3.70, 5.12 A)
 &rst
  ixpk= 1836, nxpk= 10, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 813, 814,
 &end
#
#    0 AMB  10-2:1837    50 GLN  HE2-        5.00    (#   1837:10  Single Ambig)
 &rst
  ixpk= 1837, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2063,2081,
 igr2= 813, 814,
 &end
#
#    0 AMB  10-2:1838    50 GLN  HE2-        4.00    (#   1838:10  Single Ambig)
 &rst
  ixpk= 1838, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 805, 806, 808, 809,
 igr2= 813, 814,
 &end
#
#   38 SER  HB-          38 SER  HN          5.00    (#   1840:10  Unique         2.50, 3.08 A)
 &rst
  ixpk= 1840, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 628, 629,
 &end
#
#    0 AMB  10-2:1841    38 SER  HN          5.00    (#   1841:10  Single Ambig)
 &rst
  ixpk= 1841, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 669, 670, 604, 605,
 &end
#
#    0 AMB  10-2:1842    38 SER  HN          5.00    (#   1842:10  Single Ambig)
 &rst
  ixpk= 1842, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 626, 714,
 &end
#
#   30 LYS  HN           28 GLY  HN          5.00    (#   1844:10  Unique         2.15, 3.50 A)
 &rst
  ixpk= 1844, nxpk= 10, iat= 475, 453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1847    28 GLY  HN          3.00    (#   1847:10  Single Ambig)
 &rst
  ixpk= 1847, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 455, 456, 462,
 &end
#
#   27 ILE  HA           28 GLY  HN          3.00    (#   1849:10  Unique         2.34, 2.52 A)
 &rst
  ixpk= 1849, nxpk= 10, iat= 436, 453, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  119 LYS  HA           28 GLY  HN          5.00    (#   1850:10  Unique         4.03, 4.29 A)
 &rst
  ixpk= 1850, nxpk= 10, iat=1882, 453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 GLY  HA+          28 GLY  HN          3.00    (#   1851:10  Unique         2.59, 2.79 A)
 &rst
  ixpk= 1851, 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          3.00    (#   1852:10  Unique         2.16, 2.63 A)
 &rst
  ixpk= 1852, nxpk= 10, iat= 438, 453, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1853    28 GLY  HN          5.00    (#   1853:10  Single Ambig)
 &rst
  ixpk= 1853, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 444, 445, 485, 486,
 &end
#
#    0 AMB  10-2:1854    28 GLY  HN          5.00    (#   1854:10  Single Ambig)
 &rst
  ixpk= 1854, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1884,1885, 485, 486, 482, 483,
 &end
#
#   27 ILE  HG1+         28 GLY  HN          5.00    (#   1855:10  Unique         4.12, 4.71 A)
 &rst
  ixpk= 1855, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 444, 445,
 &end
#
#   27 ILE  QG2          28 GLY  HN          3.00    (#   1856:10  Unique         2.33, 3.73 A)
 &rst
  ixpk= 1856, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 440, 441, 442,
 &end
#
#   27 ILE  HN           28 GLY  HN          5.00    (#   1857:10  Unique         4.42, 4.49 A)
 &rst
  ixpk= 1857, nxpk= 10, iat= 434, 453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 ILE  QD1          28 GLY  HN          5.00    (#   1858:10  Unique         4.54, 5.49 A)
 &rst
  ixpk= 1858, nxpk= 10, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 447, 448, 449,
 &end
#
#   56 ASP  HA           59 GLN  HE2-        4.00    (#   1887:10  Unique         2.61, 4.13 A)
 &rst
  ixpk= 1887, nxpk= 10, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 974, 975,
 &end
#
#   59 GLN  HG-          59 GLN  HE2-        4.00    (#   1888:10  Unique         2.11, 3.38 A)
 &rst
  ixpk= 1888, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 969, 970,
 igr2= 974, 975,
 &end
#
#    0 AMB  10-2:1889    59 GLN  HE2-        4.00    (#   1889:10  Single Ambig)
 &rst
  ixpk= 1889, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 966, 967, 969, 970,
 igr2= 974, 975,
 &end
#
#   56 ASP  HA           59 GLN  HE2+        5.00    (#   1895:10  Unique         2.61, 4.13 A)
 &rst
  ixpk= 1895, nxpk= 10, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 974, 975,
 &end
#
#   59 GLN  HG-          59 GLN  HE2+        4.00    (#   1896:10  Unique         2.11, 3.38 A)
 &rst
  ixpk= 1896, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 969, 970,
 igr2= 974, 975,
 &end
#
#    0 AMB  10-2:1897     0 AMB  10-1:1897   4.00    (#   1897:10  Double Ambig)
 &rst
  ixpk= 1897, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 966, 967, 969, 970,
 igr2= 974, 975, 974, 975,
 &end
#
#   58 TYR  HA           61 GLN  HE2+        4.00    (#   1909:10  Unique         2.56, 3.93 A)
 &rst
  ixpk= 1909, nxpk= 10, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1003,1004,
 &end
#
#    0 AMB  10-2:1911     0 AMB  10-1:1911   5.00    (#   1911:10  Double Ambig)
 &rst
  ixpk= 1911, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 983, 984, 983, 984,
 igr2=1003,1004,1003,1004,
 &end
#
#    0 AMB  10-2:1912     0 AMB  10-1:1912   3.00    (#   1912:10  Double Ambig)
 &rst
  ixpk= 1912, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 998, 999, 995, 996,
 igr2=1003,1004,1003,1004,
 &end
#
#   61 GLN  HG-          61 GLN  HE2+        3.00    (#   1913:10  Unique         2.10, 3.16 A)
 &rst
  ixpk= 1913, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 998, 999,
 igr2=1003,1004,
 &end
#
#   61 GLN  HB-          61 GLN  HE2+        5.00    (#   1914:10  Unique         2.51, 4.35 A)
 &rst
  ixpk= 1914, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 995, 996,
 igr2=1003,1004,
 &end
#
#  144 LEU  MDX          61 GLN  HE2+        5.00    (#   1915:10  Unique         4.94, 7.14 A)
 &rst
  ixpk= 1915, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2=1003,1004,
 &end
#
#  144 LEU  MDY          61 GLN  HE2+        5.00    (#   1917:10  Unique         4.94, 7.14 A)
 &rst
  ixpk= 1917, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2=1003,1004,
 &end
#
#  144 LEU  MDY          61 GLN  HE2-        5.00    (#   1920:10  Unique         4.94, 7.14 A)
 &rst
  ixpk= 1920, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2=1003,1004,
 &end
#
#    0 AMB  10-2:1923     0 AMB  10-1:1923   5.00    (#   1923:10  Double Ambig)
 &rst
  ixpk= 1923, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 983, 984, 983, 984,
 igr2= 974, 975, 974, 975,1003,1004,
 &end
#
#    0 AMB  10-2:1924    61 GLN  HE2-        4.00    (#   1924:10  Single Ambig)
 &rst
  ixpk= 1924, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 998, 999, 995, 996,
 igr2=1003,1004,
 &end
#
#   61 GLN  HB-          61 GLN  HE2-        5.00    (#   1925:10  Unique         2.51, 4.35 A)
 &rst
  ixpk= 1925, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 995, 996,
 igr2=1003,1004,
 &end
#
#  110 TYR  HN          111 VAL  HN          4.00    (#   1926:10  Unique         1.76, 2.82 A)
 &rst
  ixpk= 1926, nxpk= 10, iat=1729,1750, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1928   111 VAL  HN          4.00    (#   1928:10  Single Ambig)
 &rst
  ixpk= 1928, nxpk= 10, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1731,1782,
 &end
#
#  111 VAL  HA          111 VAL  HN          3.00    (#   1929:10  Unique         2.21, 2.31 A)
 &rst
  ixpk= 1929, nxpk= 10, iat=1752,1750, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  110 TYR  HB-         111 VAL  HN          3.00    (#   1931:10  Unique         1.62, 2.83 A)
 &rst
  ixpk= 1931, nxpk= 10, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1733,1734,
 &end
#
#  110 TYR  HB+         111 VAL  HN          3.00    (#   1932:10  Unique         1.62, 2.83 A)
 &rst
  ixpk= 1932, nxpk= 10, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1733,1734,
 &end
#
#  111 VAL  HB          111 VAL  HN          4.00    (#   1933:10  Unique         2.27, 3.01 A)
 &rst
  ixpk= 1933, nxpk= 10, iat=1754,1750, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1934   111 VAL  HN          5.00    (#   1934:10  Single Ambig)
 &rst
  ixpk= 1934, nxpk= 10, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1127,1128,1129,1784,1785,1786,
 &end
#
#  128 ALA  MB          111 VAL  HN          5.00    (#   1935:10  Unique         3.87, 5.21 A)
 &rst
  ixpk= 1935, nxpk= 10, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2041,2042,2043,
 &end
#
#  111 VAL  MGY         111 VAL  HN          3.00    (#   1936:10  Unique         2.38, 4.21 A)
 &rst
  ixpk= 1936, nxpk= 10, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#  111 VAL  MGX         111 VAL  HN          4.00    (#   1937:10  Unique         2.38, 4.21 A)
 &rst
  ixpk= 1937, nxpk= 10, iat=  -1,1750, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#   61 GLN  HA           61 GLN  HE2+        5.00    (#   1938:10  Unique         3.87, 5.13 A)
 &rst
  ixpk= 1938, nxpk= 10, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1003,1004,
 &end
#
#   22 THR  HB           22 THR  HN          4.00    (#   1943:10  Unique         2.82, 3.25 A)
 &rst
  ixpk= 1943, nxpk= 10, iat= 349, 345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 GLN  HB+          22 THR  HN          4.00    (#   1944:10  Unique         1.92, 2.97 A)
 &rst
  ixpk= 1944, nxpk= 10, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 402, 403,
 &end
#
#   22 THR  MG2          22 THR  HN          4.00    (#   1945:10  Unique         3.47, 4.40 A)
 &rst
  ixpk= 1945, nxpk= 10, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 351, 352, 353,
 &end
#
#   21 VAL  HN           22 THR  HN          5.00    (#   1946:10  Unique         4.24, 4.36 A)
 &rst
  ixpk= 1946, nxpk= 10, iat= 329, 345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 THR  HA           22 THR  HN          3.00    (#   1947:10  Unique         2.90, 2.94 A)
 &rst
  ixpk= 1947, nxpk= 10, iat= 347, 345, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   21 VAL  HA           22 THR  HN          3.00    (#   1948:10  Unique         2.24, 2.39 A)
 &rst
  ixpk= 1948, nxpk= 10, iat= 331, 345, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1949    22 THR  HN          5.00    (#   1949:10  Single Ambig)
 &rst
  ixpk= 1949, nxpk= 10, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 419, 420, 422,
 &end
#
#   21 VAL  HB           22 THR  HN          4.00    (#   1950:10  Unique         2.47, 3.69 A)
 &rst
  ixpk= 1950, nxpk= 10, iat= 333, 345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1952     0 AMB  10-1:1952   4.00    (#   1952:10  Double Ambig)
 &rst
  ixpk= 1952, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 331, 656,
 igr2= 410, 411, 654,
 &end
#
#   38 SER  HA           40 SER  HN          4.00    (#   1953:10  Unique         3.42, 3.64 A)
 &rst
  ixpk= 1953, nxpk= 10, iat= 626, 654, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   39 ILE  HG1-         40 SER  HN          5.00    (#   1954:10  Unique         2.85, 3.38 A)
 &rst
  ixpk= 1954, nxpk= 10, iat=  -1, 654, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 645, 646,
 &end
#
#  119 LYS  HN          120 THR  HN          4.00    (#   1956:10  Unique         2.63, 2.66 A)
 &rst
  ixpk= 1956, nxpk= 10, iat=1880,1902, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  121 GLY  HN          120 THR  HN          3.00    (#   1958:10  Unique         2.20, 2.47 A)
 &rst
  ixpk= 1958, nxpk= 10, iat=1916,1902, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  122 GLN  HN          120 THR  HN          4.00    (#   1962:10  Unique         3.25, 3.51 A)
 &rst
  ixpk= 1962, nxpk= 10, iat=1923,1902, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  120 THR  HA          120 THR  HN          3.00    (#   1964:10  Unique         2.86, 2.90 A)
 &rst
  ixpk= 1964, nxpk= 10, iat=1904,1902, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  119 LYS  HA          120 THR  HN          4.00    (#   1965:10  Unique         3.37, 3.46 A)
 &rst
  ixpk= 1965, nxpk= 10, iat=1882,1902, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  118 ASP  HB-         120 THR  HN          5.00    (#   1966:10  Unique         1.94, 2.86 A)
 &rst
  ixpk= 1966, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1872,1873,
 &end
#
#  119 LYS  HB+         120 THR  HN          5.00    (#   1967:10  Unique         3.71, 4.24 A)
 &rst
  ixpk= 1967, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1884,1885,
 &end
#
#  120 THR  MG2         120 THR  HN          3.00    (#   1968:10  Unique         1.95, 2.91 A)
 &rst
  ixpk= 1968, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1908,1909,1910,
 &end
#
#  118 ASP  HA          120 THR  HN          4.00    (#   1970:10  Unique         3.88, 4.03 A)
 &rst
  ixpk= 1970, nxpk= 10, iat=1870,1902, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  120 THR  HB          120 THR  HN          4.00    (#   1971:10  Unique         2.45, 2.89 A)
 &rst
  ixpk= 1971, nxpk= 10, iat=1906,1902, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1972   120 THR  HN          5.00    (#   1972:10  Single Ambig)
 &rst
  ixpk= 1972, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1918,1919, 436,
 &end
#
#  121 GLY  HA+         120 THR  HN          5.00    (#   1973:10  Unique         4.50, 4.88 A)
 &rst
  ixpk= 1973, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1918,1919,
 &end
#
#    0 AMB  10-2:1974   120 THR  HN          5.00    (#   1974:10  Single Ambig)
 &rst
  ixpk= 1974, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1884,1885,1927,1928,
 &end
#
#  119 LYS  HG+         120 THR  HN          4.00    (#   1975:10  Unique         1.96, 3.20 A)
 &rst
  ixpk= 1975, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1887,1888,
 &end
#
#  119 LYS  HG-         120 THR  HN          4.00    (#   1976:10  Unique         1.96, 3.20 A)
 &rst
  ixpk= 1976, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1887,1888,
 &end
#
#   25 GLN  HG-          22 THR  HN          4.00    (#   1978:10  Unique         3.85, 4.52 A)
 &rst
  ixpk= 1978, nxpk= 10, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 405, 406,
 &end
#
#   21 VAL  MGX          22 THR  HN          3.00    (#   1979:10  Unique         1.94, 3.92 A)
 &rst
  ixpk= 1979, 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
#
#   25 GLN  HB-          22 THR  HN          3.00    (#   1983:10  Unique         1.92, 2.97 A)
 &rst
  ixpk= 1983, nxpk= 10, iat=  -1, 345, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 402, 403,
 &end
#
#    0 AMB  10-2:1988    25 GLN  HE2-        3.00    (#   1988:10  Single Ambig)
 &rst
  ixpk= 1988, 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
#
#   25 GLN  HB+          25 GLN  HE2-        5.00    (#   1989:10  Unique         2.56, 3.62 A)
 &rst
  ixpk= 1989, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 402, 403,
 igr2= 410, 411,
 &end
#
#   22 THR  MG2          25 GLN  HE2-        5.00    (#   1990:10  Unique         4.93, 6.41 A)
 &rst
  ixpk= 1990, 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
#
#   25 GLN  HA           25 GLN  HE2-        5.00    (#   1994:10  Unique         4.13, 5.12 A)
 &rst
  ixpk= 1994, nxpk= 10, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 410, 411,
 &end
#
#    0 AMB  10-2:1995    25 GLN  HE2-        3.00    (#   1995:10  Single Ambig)
 &rst
  ixpk= 1995, 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
#
#    0 AMB  10-2:1996    25 GLN  HE2-        5.00    (#   1996:10  Single Ambig)
 &rst
  ixpk= 1996, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 390, 391, 402, 403,
 igr2= 410, 411,
 &end
#
#   21 VAL  MGX          25 GLN  HE2-        5.00    (#   1997:10  Unique         2.85, 5.88 A)
 &rst
  ixpk= 1997, 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
#
#  141 ASN  HN          141 ASN  HD2+        4.00    (#   1998:10  Unique         2.35, 3.85 A)
 &rst
  ixpk= 1998, nxpk= 10, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2240,2241,
 &end
#
#  141 ASN  HA          141 ASN  HD2+        4.00    (#   2009:10  Unique         1.99, 4.23 A)
 &rst
  ixpk= 2009, nxpk= 10, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2240,2241,
 &end
#
#  138 LYS  HA          141 ASN  HD2+        4.00    (#   2010:10  Unique         1.88, 3.32 A)
 &rst
  ixpk= 2010, nxpk= 10, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2240,2241,
 &end
#
#    0 AMB  10-2:2011     0 AMB  10-1:2011   3.00    (#   2011:10  Double Ambig)
 &rst
  ixpk= 2011, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=2235,2236,2182,2183,1213,1214,
 igr2=2240,2241,2240,2241, 654,
 &end
#
#  141 ASN  HB+         141 ASN  HD2+        4.00    (#   2012:10  Unique         2.11, 3.20 A)
 &rst
  ixpk= 2012, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2235,2236,
 igr2=2240,2241,
 &end
#
#  137 GLU  HG-         141 ASN  HD2+        4.00    (#   2013:10  Unique         3.14, 5.09 A)
 &rst
  ixpk= 2013, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2161,2162,
 igr2=2240,2241,
 &end
#
#  141 ASN  HN          141 ASN  HD2-        5.00    (#   2018:10  Unique         2.35, 3.85 A)
 &rst
  ixpk= 2018, nxpk= 10, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2240,2241,
 &end
#
#  141 ASN  HA          141 ASN  HD2-        5.00    (#   2021:10  Unique         1.99, 4.23 A)
 &rst
  ixpk= 2021, nxpk= 10, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2240,2241,
 &end
#
#  138 LYS  HA          141 ASN  HD2-        5.00    (#   2029:10  Unique         1.88, 3.32 A)
 &rst
  ixpk= 2029, nxpk= 10, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2240,2241,
 &end
#
#    0 AMB  10-2:2030   141 ASN  HD2-        4.00    (#   2030:10  Single Ambig)
 &rst
  ixpk= 2030, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=2235,2236,2182,2183,
 igr2=2240,2241,
 &end
#
#  141 ASN  HB+         141 ASN  HD2-        4.00    (#   2031:10  Unique         2.11, 3.20 A)
 &rst
  ixpk= 2031, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2235,2236,
 igr2=2240,2241,
 &end
#
#  137 GLU  HG-         141 ASN  HD2-        5.00    (#   2032:10  Unique         3.14, 5.09 A)
 &rst
  ixpk= 2032, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2161,2162,
 igr2=2240,2241,
 &end
#
#    0 AMB  10-2:2033   141 ASN  HD2-        5.00    (#   2033:10  Single Ambig)
 &rst
  ixpk= 2033, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2221,2222,2223,2225,2226,2227,2294,2295,2296,2298,
      2299,2300,
 igr2=2240,2241,
 &end
#
#   21 VAL  HA           25 GLN  HE2+        5.00    (#   2043:10  Unique         2.55, 3.80 A)
 &rst
  ixpk= 2043, nxpk= 10, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 410, 411,
 &end
#
#    0 AMB  10-2:2044     0 AMB  10-1:2044   3.00    (#   2044:10  Double Ambig)
 &rst
  ixpk= 2044, 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
#
#   25 GLN  HB+          25 GLN  HE2+        5.00    (#   2045:10  Unique         2.56, 3.62 A)
 &rst
  ixpk= 2045, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 402, 403,
 igr2= 410, 411,
 &end
#
#   22 THR  MG2          25 GLN  HE2+        5.00    (#   2046:10  Unique         4.93, 6.41 A)
 &rst
  ixpk= 2046, 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
#
#  120 THR  MG2         122 GLN  HE2+        5.00    (#   2050:10  Unique         1.91, 4.23 A)
 &rst
  ixpk= 2050, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1908,1909,1910,
 igr2=1935,1936,
 &end
#
#  122 GLN  HG-         122 GLN  HE2+        4.00    (#   2056:10  Unique         2.10, 3.25 A)
 &rst
  ixpk= 2056, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1930,1931,
 igr2=1935,1936,
 &end
#
#    0 AMB  10-2:2057     0 AMB  10-1:2057   4.00    (#   2057:10  Double Ambig)
 &rst
  ixpk= 2057, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1927,1928,1930,1931,
 igr2=1935,1936,1935,1936,
 &end
#
#  122 GLN  HB+         122 GLN  HE2+        5.00    (#   2058:10  Unique         1.88, 3.97 A)
 &rst
  ixpk= 2058, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1927,1928,
 igr2=1935,1936,
 &end
#
#  122 GLN  HG-         122 GLN  HE2-        4.00    (#   2065:10  Unique         2.10, 3.25 A)
 &rst
  ixpk= 2065, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1930,1931,
 igr2=1935,1936,
 &end
#
#    0 AMB  10-2:2066   122 GLN  HE2-        4.00    (#   2066:10  Single Ambig)
 &rst
  ixpk= 2066, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1927,1928,1930,1931,
 igr2=1935,1936,
 &end
#
#  122 GLN  HB+         122 GLN  HE2-        5.00    (#   2067:10  Unique         1.88, 3.97 A)
 &rst
  ixpk= 2067, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1927,1928,
 igr2=1935,1936,
 &end
#
#    0 AMB  10-2:2068    12 GLY  HN          5.00    (#   2068:10  Single Ambig)
 &rst
  ixpk= 2068, nxpk= 10, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 188, 189, 190, 318, 319,
 &end
#
#   13 GLU  HN           12 GLY  HN          5.00    (#   2069:10  Unique         4.50, 4.55 A)
 &rst
  ixpk= 2069, nxpk= 10, iat= 203, 196, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 THR  HA           12 GLY  HN          3.00    (#   2070:10  Unique         2.17, 2.24 A)
 &rst
  ixpk= 2070, 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    (#   2072:10  Unique         2.25, 2.67 A)
 &rst
  ixpk= 2072, 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    (#   2073:10  Unique         2.25, 2.67 A)
 &rst
  ixpk= 2073, nxpk= 10, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 198, 199,
 &end
#
#  117 PHE  HB+         121 GLY  HN          5.00    (#   2075:10  Unique         3.59, 4.26 A)
 &rst
  ixpk= 2075, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1852,1853,
 &end
#
#    7 MET  ME          121 GLY  HN          5.00    (#   2076:10  Unique         3.92, 5.20 A)
 &rst
  ixpk= 2076, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 128, 129, 130,
 &end
#
#  120 THR  HN          121 GLY  HN          3.00    (#   2083:10  Unique         2.20, 2.47 A)
 &rst
  ixpk= 2083, nxpk= 10, iat=1902,1916, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  122 GLN  HN          121 GLY  HN          3.00    (#   2084:10  Unique         2.26, 2.50 A)
 &rst
  ixpk= 2084, nxpk= 10, iat=1923,1916, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  118 ASP  HA          121 GLY  HN          5.00    (#   2086:10  Unique         4.38, 4.56 A)
 &rst
  ixpk= 2086, nxpk= 10, iat=1870,1916, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  120 THR  HA          121 GLY  HN          4.00    (#   2087:10  Unique         3.20, 3.31 A)
 &rst
  ixpk= 2087, nxpk= 10, iat=1904,1916, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  120 THR  HB          121 GLY  HN          5.00    (#   2088:10  Unique         4.13, 4.42 A)
 &rst
  ixpk= 2088, nxpk= 10, iat=1906,1916, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  121 GLY  HA-         121 GLY  HN          3.00    (#   2089:10  Unique         2.25, 2.57 A)
 &rst
  ixpk= 2089, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1918,1919,
 &end
#
#  121 GLY  HA+         121 GLY  HN          3.00    (#   2090:10  Unique         2.25, 2.57 A)
 &rst
  ixpk= 2090, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1918,1919,
 &end
#
#    0 AMB  10-2:2091   121 GLY  HN          5.00    (#   2091:10  Single Ambig)
 &rst
  ixpk= 2091, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1930,1931,1927,1928,
 &end
#
#  120 THR  MG2         121 GLY  HN          4.00    (#   2092:10  Unique         2.76, 4.23 A)
 &rst
  ixpk= 2092, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1908,1909,1910,
 &end
#
#   27 ILE  QG2         121 GLY  HN          4.00    (#   2093:10  Unique         2.07, 3.11 A)
 &rst
  ixpk= 2093, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 440, 441, 442,
 &end
#
#   27 ILE  QD1         121 GLY  HN          5.00    (#   2094:10  Unique         3.37, 4.68 A)
 &rst
  ixpk= 2094, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 447, 448, 449,
 &end
#
#    0 AMB  10-2:2095   121 GLY  HN          5.00    (#   2095:10  Single Ambig)
 &rst
  ixpk= 2095, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 444, 445,1887,1888,
 &end
#
#   18 ASN  HN           19 GLY  HN          3.00    (#   2108:10  Unique         2.67, 3.08 A)
 &rst
  ixpk= 2108, nxpk= 10, iat= 293, 307, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   16 TRP  HE3          19 GLY  HN          5.00    (#   2110:10  Unique         2.44, 3.47 A)
 &rst
  ixpk= 2110, nxpk= 10, iat= 269, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 GLU  HN           19 GLY  HN          5.00    (#   2111:10  Unique         3.26, 3.83 A)
 &rst
  ixpk= 2111, nxpk= 10, iat= 314, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LEU  HA           19 GLY  HN          4.00    (#   2112:10  Unique         3.01, 3.64 A)
 &rst
  ixpk= 2112, nxpk= 10, iat= 276, 307, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN  HA           19 GLY  HN          4.00    (#   2114:10  Unique         2.82, 3.41 A)
 &rst
  ixpk= 2114, nxpk= 10, iat= 295, 307, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 GLY  HA-          19 GLY  HN          3.00    (#   2115:10  Unique         2.36, 2.75 A)
 &rst
  ixpk= 2115, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 309, 310,
 &end
#
#    0 AMB  10-2:2117    19 GLY  HN          3.00    (#   2117:10  Single Ambig)
 &rst
  ixpk= 2117, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 309, 310, 297, 298,
 &end
#
#   16 TRP  HB-          19 GLY  HN          4.00    (#   2118:10  Unique         3.11, 4.39 A)
 &rst
  ixpk= 2118, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 254, 255,
 &end
#
#    0 AMB  10-2:2119    19 GLY  HN          4.00    (#   2119:10  Single Ambig)
 &rst
  ixpk= 2119, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 297, 298, 254, 255,
 &end
#
#   94 ILE  HB           19 GLY  HN          5.00    (#   2120:10  Unique         4.78, 5.05 A)
 &rst
  ixpk= 2120, nxpk= 10, iat=1497, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2121    19 GLY  HN          5.00    (#   2121:10  Single Ambig)
 &rst
  ixpk= 2121, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 278, 279, 281,
 &end
#
#    0 AMB  10-2:2122    19 GLY  HN          5.00    (#   2122:10  Single Ambig)
 &rst
  ixpk= 2122, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 283, 284, 285, 287, 288, 289,1506,1507,1508,
 &end
#
#   94 ILE  HN           19 GLY  HN          5.00    (#   2123:10  Unique         3.24, 3.57 A)
 &rst
  ixpk= 2123, nxpk= 10, iat=1493, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 PRO  HA           52 ASN  HD2+        5.00    (#   2138:10  Unique         1.88, 2.82 A)
 &rst
  ixpk= 2138, nxpk= 10, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 843, 844,
 &end
#
#   52 ASN  HB+          52 ASN  HD2+        3.00    (#   2139:10  Unique         2.10, 3.33 A)
 &rst
  ixpk= 2139, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 838, 839,
 igr2= 843, 844,
 &end
#
#   89 ASP  HB-          52 ASN  HD2+        4.00    (#   2141:10  Unique         3.06, 4.89 A)
 &rst
  ixpk= 2141, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1421,1422,
 igr2= 843, 844,
 &end
#
#   89 ASP  HB+          52 ASN  HD2+        5.00    (#   2142:10  Unique         3.06, 4.89 A)
 &rst
  ixpk= 2142, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1421,1422,
 igr2= 843, 844,
 &end
#
#   52 ASN  HB+          52 ASN  HD2-        5.00    (#   2145:10  Unique         2.10, 3.33 A)
 &rst
  ixpk= 2145, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 838, 839,
 igr2= 843, 844,
 &end
#
#   80 LYS  HN           79 GLY  HN          3.00    (#   2148:10  Unique         2.24, 2.47 A)
 &rst
  ixpk= 2148, nxpk= 10, iat=1273,1266, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   78 PRO  HD+          79 GLY  HN          4.00    (#   2150:10  Unique         2.33, 3.14 A)
 &rst
  ixpk= 2150, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1253,1254,
 &end
#
#   80 LYS  HA           79 GLY  HN          5.00    (#   2151:10  Unique         4.84, 5.07 A)
 &rst
  ixpk= 2151, nxpk= 10, iat=1275,1266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   78 PRO  HA           79 GLY  HN          4.00    (#   2152:10  Unique         3.27, 3.32 A)
 &rst
  ixpk= 2152, nxpk= 10, iat=1262,1266, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 GLY  HA-          79 GLY  HN          3.00    (#   2153:10  Unique         2.25, 2.56 A)
 &rst
  ixpk= 2153, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1268,1269,
 &end
#
#   79 GLY  HA+          79 GLY  HN          3.00    (#   2154:10  Unique         2.25, 2.56 A)
 &rst
  ixpk= 2154, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1268,1269,
 &end
#
#   77 ASP  HB+          79 GLY  HN          5.00    (#   2155:10  Unique         2.50, 3.55 A)
 &rst
  ixpk= 2155, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1244,1245,
 &end
#
#    0 AMB  10-2:2156    79 GLY  HN          4.00    (#   2156:10  Single Ambig)
 &rst
  ixpk= 2156, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1256,1257,1259,1260,
 &end
#
#    0 AMB  10-2:2157    79 GLY  HN          4.00    (#   2157:10  Single Ambig)
 &rst
  ixpk= 2157, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1259,1260,1318,1319,
 &end
#
#    0 AMB  10-2:2158    79 GLY  HN          4.00    (#   2158:10  Single Ambig)
 &rst
  ixpk= 2158, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1256,1257,1277,1278,
 &end
#
#    0 AMB  10-2:2159    79 GLY  HN          5.00    (#   2159:10  Single Ambig)
 &rst
  ixpk= 2159, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1299,1321,1322,1321,1322,
 &end
#
#  114 TYR  HN          129 GLY  HN          5.00    (#   2160:10  Unique         4.79, 4.94 A)
 &rst
  ixpk= 2160, nxpk= 10, iat=1790,2047, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  128 ALA  HA          129 GLY  HN          3.00    (#   2161:10  Unique         2.19, 2.24 A)
 &rst
  ixpk= 2161, nxpk= 10, iat=2039,2047, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  129 GLY  HA+         129 GLY  HN          3.00    (#   2163:10  Unique         2.28, 2.62 A)
 &rst
  ixpk= 2163, nxpk= 10, iat=  -1,2047, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2049,2050,
 &end
#
#  129 GLY  HA-         129 GLY  HN          3.00    (#   2164:10  Unique         2.28, 2.62 A)
 &rst
  ixpk= 2164, nxpk= 10, iat=  -1,2047, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2049,2050,
 &end
#
#    0 AMB  10-2:2165   129 GLY  HN          4.00    (#   2165:10  Single Ambig)
 &rst
  ixpk= 2165, nxpk= 10, iat=  -1,2047, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1770,1771,1770,1771,1773,1774,
 &end
#
#  113 ALA  MB          129 GLY  HN          5.00    (#   2166:10  Unique         4.56, 5.65 A)
 &rst
  ixpk= 2166, nxpk= 10, iat=  -1,2047, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1784,1785,1786,
 &end
#
#  128 ALA  MB          129 GLY  HN          4.00    (#   2167:10  Unique         3.04, 3.87 A)
 &rst
  ixpk= 2167, nxpk= 10, iat=  -1,2047, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2041,2042,2043,
 &end
#
#  112 PRO  HD+         129 GLY  HN          5.00    (#   2170:10  Unique         4.00, 5.21 A)
 &rst
  ixpk= 2170, nxpk= 10, iat=  -1,2047, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1767,1768,
 &end
#
#   18 ASN  HD2-         92 GLN  HN          5.00    (#   2175:10  Unique         3.97, 4.44 A)
 &rst
  ixpk= 2175, nxpk= 10, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 302, 303,
 &end
#
#   64 VAL  HB           92 GLN  HN          5.00    (#   2176:10  Unique         4.87, 5.16 A)
 &rst
  ixpk= 2176, nxpk= 10, iat=1045,1462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 LEU  MDY         117 PHE  HN          5.00    (#   2178:10  Unique         3.97, 6.28 A)
 &rst
  ixpk= 2178, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#    0 AMB  10-2:2179   117 PHE  HN          5.00    (#   2179:10  Single Ambig)
 &rst
  ixpk= 2179, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 517, 518, 519, 554, 555,
 &end
#
#    0 AMB  10-2:2180   117 PHE  HN          5.00    (#   2180:10  Single Ambig)
 &rst
  ixpk= 2180, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 504, 505,1966,1967, 554, 555,
 &end
#
#   33 LEU  HB+         117 PHE  HN          5.00    (#   2181:10  Unique         3.95, 4.95 A)
 &rst
  ixpk= 2181, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 529, 530,
 &end
#
#   31 PRO  HA          117 PHE  HN          5.00    (#   2182:10  Unique         4.76, 4.97 A)
 &rst
  ixpk= 2182, nxpk= 10, iat= 507,1848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  101 ALA  HN          103 THR  HN          5.00    (#   2184:10  Unique         3.89, 4.15 A)
 &rst
  ixpk= 2184, nxpk= 10, iat=1600,1629, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  HG          103 THR  HN          5.00    (#   2185:10  Unique         2.29, 4.01 A)
 &rst
  ixpk= 2185, nxpk= 10, iat=1617,1629, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  101 ALA  MB          103 THR  HN          5.00    (#   2186:10  Unique         4.40, 5.40 A)
 &rst
  ixpk= 2186, nxpk= 10, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1604,1605,1606,
 &end
#
#    0 AMB  10-2:2187    71 ARG  HN          5.00    (#   2187:10  Single Ambig)
 &rst
  ixpk= 2187, nxpk= 10, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 628, 629,1134,1135,
 &end
#
#   70 PRO  HA           71 ARG  HN          3.00    (#   2188:10  Unique         2.45, 2.55 A)
 &rst
  ixpk= 2188, nxpk= 10, iat=1143,1147, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:2189    71 ARG  HN          5.00    (#   2189:10  Single Ambig)
 &rst
  ixpk= 2189, nxpk= 10, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1209, 624,
 &end
#
#   33 LEU  MDY          34 ILE  HN          3.00    (#   2191:10  Unique         2.35, 4.65 A)
 &rst
  ixpk= 2191, 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
#
#  114 TYR  HA           34 ILE  HN          5.00    (#   2192:10  Unique         4.54, 4.91 A)
 &rst
  ixpk= 2192, nxpk= 10, iat=1792, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 THR  HN           33 LEU  HN          5.00    (#   2193:10  Unique         4.44, 4.54 A)
 &rst
  ixpk= 2193, nxpk= 10, iat= 511, 525, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2194    33 LEU  HN          5.00    (#   2194:10  Single Ambig)
 &rst
  ixpk= 2194, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1029,1834,
 &end
#
#   96 VAL  HN           17 LEU  HN          5.00    (#   2195:10  Unique         4.56, 4.85 A)
 &rst
  ixpk= 2195, nxpk= 10, iat=1532, 274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  114 TYR  HA           36 PHE  HN          5.00    (#   2197:10  Unique         3.48, 3.59 A)
 &rst
  ixpk= 2197, nxpk= 10, iat=1792, 580, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  112 PRO  HA           36 PHE  HN          5.00    (#   2198:10  Unique         4.33, 4.55 A)
 &rst
  ixpk= 2198, nxpk= 10, iat=1776, 580, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2199   124 ARG  HN          5.00    (#   2199:10  Single Ambig)
 &rst
  ixpk= 2199, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  52,  53,  54,  56,  57,  58,2275,2276,2277,2279,
      2280,2281,2275,2276,2277,2279,2280,2281,
 &end
#
#    0 AMB  10-2:2200   124 ARG  HN          5.00    (#   2200:10  Single Ambig)
 &rst
  ixpk= 2200, nxpk= 10, iat=  -1,1959, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1836,1930,1931,
 &end
#
#   33 LEU  MDX         115 TYR  HN          5.00    (#   2201:10  Unique         2.45, 4.75 A)
 &rst
  ixpk= 2201, nxpk= 10, iat=  -1,1811, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  HG          115 TYR  HN          5.00    (#   2202:10  Unique         3.69, 4.56 A)
 &rst
  ixpk= 2202, nxpk= 10, iat= 532,1811, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  114 TYR  HN          115 TYR  HN          5.00    (#   2203:10  Unique         3.95, 4.22 A)
 &rst
  ixpk= 2203, nxpk= 10, iat=1790,1811, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 PRO  HD-         119 LYS  HN          5.00    (#   2204:10  Unique         4.43, 5.20 A)
 &rst
  ixpk= 2204, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 498, 499,
 &end
#
#    0 AMB  10-2:2205    94 ILE  HN          5.00    (#   2205:10  Single Ambig)
 &rst
  ixpk= 2205, nxpk= 10, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 278, 279, 281,
 &end
#
#    0 AMB  10-2:2206     0 AMB  10-1:2206   5.00    (#   2206:10  Double Ambig)
 &rst
  ixpk= 2206, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1503,1504,1189,1190,
 igr2=1493,1182,
 &end
#
#   93 PRO  HB+          94 ILE  HN          5.00    (#   2207:10  Unique         3.44, 3.94 A)
 &rst
  ixpk= 2207, nxpk= 10, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1486,1487,
 &end
#
#   18 ASN  HB+          94 ILE  HN          5.00    (#   2208:10  Unique         2.02, 3.53 A)
 &rst
  ixpk= 2208, nxpk= 10, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 297, 298,
 &end
#
#   94 ILE  HA           94 ILE  HN          5.00    (#   2209:10  Unique         2.90, 2.92 A)
 &rst
  ixpk= 2209, nxpk= 10, iat=1495,1493, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LEU  HN           94 ILE  HN          5.00    (#   2210:10  Unique         3.05, 3.41 A)
 &rst
  ixpk= 2210, nxpk= 10, iat= 274,1493, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 LEU  HN            4 ARG  HN          5.00    (#   2211:10  Unique         3.10, 4.34 A)
 &rst
  ixpk= 2211, nxpk= 10, iat=  43,  62, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  123 LEU  MDY           4 ARG  HN          5.00    (#   2213:10  Unique         2.29, 5.37 A)
 &rst
  ixpk= 2213, nxpk= 10, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  10-2:2214    23 ARG  HN          5.00    (#   2214:10  Single Ambig)
 &rst
  ixpk= 2214, nxpk= 10, iat=  -1, 359, 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
#
#   25 GLN  HN           23 ARG  HN          5.00    (#   2215:10  Unique         4.35, 4.56 A)
 &rst
  ixpk= 2215, nxpk= 10, iat= 398, 359, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 LEU  HN           23 ARG  HN          5.00    (#   2216:10  Unique         4.07, 4.81 A)
 &rst
  ixpk= 2216, nxpk= 10, iat= 163, 359, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 ILE  HG1+         95 PHE  HN          5.00    (#   2217:10  Unique         4.16, 5.14 A)
 &rst
  ixpk= 2217, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1503,1504,
 &end
#
#    0 AMB  10-2:2218    95 PHE  HN          5.00    (#   2218:10  Single Ambig)
 &rst
  ixpk= 2218, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1497,1061,
 &end
#
#   67 VAL  MGY          95 PHE  HN          5.00    (#   2219:10  Unique         3.21, 5.09 A)
 &rst
  ixpk= 2219, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   67 VAL  MGX          95 PHE  HN          5.00    (#   2220:10  Unique         3.21, 5.09 A)
 &rst
  ixpk= 2220, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   33 LEU  MDY         116 VAL  HN          5.00    (#   2221:10  Unique         3.60, 6.17 A)
 &rst
  ixpk= 2221, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#  123 LEU  HG          116 VAL  HN          5.00    (#   2222:10  Unique         4.96, 5.14 A)
 &rst
  ixpk= 2222, nxpk= 10, iat=1947,1832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2223   116 VAL  HN          5.00    (#   2223:10  Single Ambig)
 &rst
  ixpk= 2223, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2004,2005,1794,1795,
 &end
#
#  115 TYR  HB-         116 VAL  HN          5.00    (#   2224:10  Unique         2.84, 3.68 A)
 &rst
  ixpk= 2224, nxpk= 10, iat=  -1,1832, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1815,1816,
 &end
#
#  125 HIS  HD2         116 VAL  HN          5.00    (#   2225:10  Unique         3.73, 4.45 A)
 &rst
  ixpk= 2225, nxpk= 10, iat=1996,1832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HN          116 VAL  HN          5.00    (#   2227:10  Unique         4.25, 4.46 A)
 &rst
  ixpk= 2227, nxpk= 10, iat=1848,1832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  115 TYR  HN          116 VAL  HN          5.00    (#   2228:10  Unique         4.36, 4.49 A)
 &rst
  ixpk= 2228, nxpk= 10, iat=1811,1832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 ILE  HN           35 HIS  HN          5.00    (#   2229:10  Unique         4.18, 4.28 A)
 &rst
  ixpk= 2229, nxpk= 10, iat= 544, 563, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 ILE  HB           35 HIS  HN          5.00    (#   2231:10  Unique         4.27, 4.36 A)
 &rst
  ixpk= 2231, nxpk= 10, iat= 548, 563, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2232    65 VAL  HN          5.00    (#   2232:10  Single Ambig)
 &rst
  ixpk= 2232, nxpk= 10, iat=  -1,1057, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 424, 425, 426, 428, 429, 430,1017,1018,1019,1021,
      1022,1023,
 &end
#
#   86 ALA  HN           85 ALA  HN          3.00    (#   2233:10  Unique         2.25, 2.51 A)
 &rst
  ixpk= 2233, nxpk= 10, iat=1375,1365, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   17 LEU  HN           18 ASN  HN          5.00    (#   2235:10  Unique         4.05, 4.30 A)
 &rst
  ixpk= 2235, nxpk= 10, iat= 274, 293, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LEU  MDX          18 ASN  HN          5.00    (#   2236:10  Unique         1.97, 4.86 A)
 &rst
  ixpk= 2236, 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  10-2:2237    67 VAL  HN          5.00    (#   2237:10  Single Ambig)
 &rst
  ixpk= 2237, nxpk= 10, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1503,1504,1756,1757,1758,1760,1761,1762,
 &end
#
#   94 ILE  QG2          67 VAL  HN          5.00    (#   2238:10  Unique         3.54, 5.40 A)
 &rst
  ixpk= 2238, nxpk= 10, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1499,1500,1501,
 &end
#
#    0 AMB  10-2:2239    67 VAL  HN          5.00    (#   2239:10  Single Ambig)
 &rst
  ixpk= 2239, nxpk= 10, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1063,1064,1065,1067,1068,1069,1063,1064,1065,1067,
      1068,1069,1506,1507,1508,
 &end
#
#   37 TRP  HN           67 VAL  HN          4.00    (#   2250:10  Unique         2.97, 3.30 A)
 &rst
  ixpk= 2250, nxpk= 10, iat= 600,1083, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  119 LYS  HG-          29 GLU  HN          5.00    (#   2251:10  Unique         5.26, 5.69 A)
 &rst
  ixpk= 2251, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1887,1888,
 &end
#
#   27 ILE  QG2          29 GLU  HN          5.00    (#   2252:10  Unique         3.85, 5.12 A)
 &rst
  ixpk= 2252, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 440, 441, 442,
 &end
#
#   42 HIS  HB+          43 LEU  HN          5.00    (#   2255:10  Unique         2.07, 3.06 A)
 &rst
  ixpk= 2255, nxpk= 10, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 680, 681,
 &end
#
#   42 HIS  HB-          43 LEU  HN          5.00    (#   2256:10  Unique         2.07, 3.06 A)
 &rst
  ixpk= 2256, nxpk= 10, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 680, 681,
 &end
#
#  112 PRO  HD+          43 LEU  HN          5.00    (#   2257:10  Unique         3.73, 4.85 A)
 &rst
  ixpk= 2257, nxpk= 10, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1767,1768,
 &end
#
#   44 CYS  HB-          43 LEU  HN          5.00    (#   2258:10  Unique         4.62, 5.28 A)
 &rst
  ixpk= 2258, nxpk= 10, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 716, 717,
 &end
#
#  115 TYR  HN          114 TYR  HN          5.00    (#   2260:10  Unique         3.95, 4.22 A)
 &rst
  ixpk= 2260, nxpk= 10, iat=1811,1790, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HA          114 TYR  HN          5.00    (#   2264:10  Unique         4.18, 4.29 A)
 &rst
  ixpk= 2264, nxpk= 10, iat= 565,1790, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2266   114 TYR  HN          5.00    (#   2266:10  Single Ambig)
 &rst
  ixpk= 2266, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 567, 568,1815,1816,
 &end
#
#    0 AMB  10-2:2267   114 TYR  HN          5.00    (#   2267:10  Single Ambig)
 &rst
  ixpk= 2267, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2024,2025,1773,1774,
 &end
#
#  136 LEU  MDX         114 TYR  HN          5.00    (#   2269:10  Unique         4.30, 6.38 A)
 &rst
  ixpk= 2269, nxpk= 10, iat=  -1,1790, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  10-2:2270    60 ASP  HN          5.00    (#   2270:10  Single Ambig)
 &rst
  ixpk= 2270, nxpk= 10, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 995, 996,1012,1013,
 &end
#
#  117 PHE  HA          123 LEU  HN          5.00    (#   2274:10  Unique         4.25, 4.41 A)
 &rst
  ixpk= 2274, nxpk= 10, iat=1850,1940, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  124 ARG  HN          123 LEU  HN          5.00    (#   2275:10  Unique         4.44, 4.56 A)
 &rst
  ixpk= 2275, nxpk= 10, iat=1959,1940, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 LEU  HN           32 THR  HN          5.00    (#   2276:10  Unique         4.44, 4.54 A)
 &rst
  ixpk= 2276, nxpk= 10, iat= 525, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  119 LYS  HN           32 THR  HN          5.00    (#   2277:10  Unique         5.02, 5.15 A)
 &rst
  ixpk= 2277, nxpk= 10, iat=1880, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ASN  HN           32 THR  HN          5.00    (#   2278:10  Unique         4.61, 4.86 A)
 &rst
  ixpk= 2278, nxpk= 10, iat=1027, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  104 ASP  HN          106 PHE  HN          5.00    (#   2279:10  Unique         3.24, 3.75 A)
 &rst
  ixpk= 2279, nxpk= 10, iat=1643,1665, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 PHE  HD          106 PHE  HN          5.00    (#   2281:10  Unique         1.80, 4.09 A)
 &rst
  ixpk= 2281, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1673,1681,
 &end
#
#  102 LEU  HA          106 PHE  HN          5.00    (#   2283:10  Unique         2.59, 3.55 A)
 &rst
  ixpk= 2283, nxpk= 10, iat=1612,1665, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  HG          106 PHE  HN          5.00    (#   2284:10  Unique         4.66, 5.02 A)
 &rst
  ixpk= 2284, nxpk= 10, iat=1617,1665, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  HB+         106 PHE  HN          5.00    (#   2285:10  Unique         3.02, 4.60 A)
 &rst
  ixpk= 2285, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1614,1615,
 &end
#
#  102 LEU  MDX         106 PHE  HN          5.00    (#   2286:10  Unique         3.33, 6.35 A)
 &rst
  ixpk= 2286, nxpk= 10, iat=  -1,1665, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#    0 AMB  10-2:2288    96 VAL  HN          5.00    (#   2288:10  Single Ambig)
 &rst
  ixpk= 2288, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1516,1517, 254, 255,
 &end
#
#   95 PHE  HD           96 VAL  HN          5.00    (#   2289:10  Unique         2.08, 4.28 A)
 &rst
  ixpk= 2289, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1520,1528,
 &end
#
#   17 LEU  HN           96 VAL  HN          5.00    (#   2290:10  Unique         4.56, 4.85 A)
 &rst
  ixpk= 2290, nxpk= 10, iat= 274,1532, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 PRO  HD-           7 MET  HN          5.00    (#   2292:10  Unique         2.83, 3.78 A)
 &rst
  ixpk= 2292, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 135, 136,
 &end
#
#  123 LEU  HB-           7 MET  HN          5.00    (#   2293:10  Unique         3.75, 5.51 A)
 &rst
  ixpk= 2293, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1944,1945,
 &end
#
#   33 LEU  HB+          64 VAL  HN          5.00    (#   2296:10  Unique         4.67, 5.75 A)
 &rst
  ixpk= 2296, nxpk= 10, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 529, 530,
 &end
#
#  117 PHE  HN          118 ASP  HN          5.00    (#   2297:10  Unique         4.18, 4.29 A)
 &rst
  ixpk= 2297, nxpk= 10, iat=1848,1868, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  121 GLY  HA+         118 ASP  HN          5.00    (#   2300:10  Unique         4.12, 5.29 A)
 &rst
  ixpk= 2300, nxpk= 10, iat=  -1,1868, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1918,1919,
 &end
#
#  122 GLN  HG-         121 GLY  HN          5.00    (#   2301:10  Unique         4.03, 5.13 A)
 &rst
  ixpk= 2301, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1930,1931,
 &end
#
#  117 PHE  HB-         121 GLY  HN          5.00    (#   2302:10  Unique         3.59, 4.26 A)
 &rst
  ixpk= 2302, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1852,1853,
 &end
#
#  117 PHE  HB+         121 GLY  HN          5.00    (#   2303:10  Unique         3.59, 4.26 A)
 &rst
  ixpk= 2303, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1852,1853,
 &end
#
#  118 ASP  HB+         121 GLY  HN          5.00    (#   2304:10  Unique         3.00, 3.93 A)
 &rst
  ixpk= 2304, nxpk= 10, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1872,1873,
 &end
#
#  119 LYS  HN          121 GLY  HN          5.00    (#   2305:10  Unique         3.87, 4.11 A)
 &rst
  ixpk= 2305, nxpk= 10, iat=1880,1916, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  137 GLU  HN          140 VAL  HN          5.00    (#   2306:10  Unique         4.66, 4.85 A)
 &rst
  ixpk= 2306, nxpk= 10, iat=2154,2215, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 ASP  HB-          52 ASN  HN          5.00    (#   2308:10  Unique         4.38, 5.66 A)
 &rst
  ixpk= 2308, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1421,1422,
 &end
#
#   52 ASN  HD2-         52 ASN  HN          5.00    (#   2310:10  Unique         2.69, 3.54 A)
 &rst
  ixpk= 2310, nxpk= 10, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 843, 844,
 &end
#
#   23 ARG  HN           10 LEU  HN          5.00    (#   2311:10  Unique         4.07, 4.81 A)
 &rst
  ixpk= 2311, nxpk= 10, iat= 359, 163, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 GLU  HN           10 LEU  HN          5.00    (#   2312:10  Unique         2.60, 3.36 A)
 &rst
  ixpk= 2312, nxpk= 10, iat= 148, 163, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 THR  HN           10 LEU  HN          5.00    (#   2313:10  Unique         2.93, 3.82 A)
 &rst
  ixpk= 2313, nxpk= 10, iat= 182, 163, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 GLU  HG+          10 LEU  HN          5.00    (#   2316:10  Unique         4.01, 4.80 A)
 &rst
  ixpk= 2316, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 155, 156,
 &end
#
#  102 LEU  MDX          10 LEU  HN          5.00    (#   2317:10  Unique         2.49, 6.54 A)
 &rst
  ixpk= 2317, nxpk= 10, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#   98 SER  HB+          99 ASP  HN          5.00    (#   2319:10  Unique         1.88, 3.67 A)
 &rst
  ixpk= 2319, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1564,1565,
 &end
#
#   98 SER  HA           99 ASP  HN          5.00    (#   2320:10  Unique         2.81, 3.39 A)
 &rst
  ixpk= 2320, nxpk= 10, iat=1562,1571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 HIS  HB+          90 ILE  HN          5.00    (#   2321:10  Unique         2.76, 3.20 A)
 &rst
  ixpk= 2321, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1404,1405,
 &end
#
#   71 ARG  HB-          69 MET  HN          5.00    (#   2322:10  Unique         5.34, 6.14 A)
 &rst
  ixpk= 2322, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1151,1152,
 &end
#
#  108 ASN  HB+         109 GLU  HN          5.00    (#   2324:10  Unique         2.73, 4.10 A)
 &rst
  ixpk= 2324, nxpk= 10, iat=  -1,1714, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1704,1705,
 &end
#
#    0 AMB  10-2:2329    79 GLY  HN          5.00    (#   2329:10  Single Ambig)
 &rst
  ixpk= 2329, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1283,1284,1324,1325,
 &end
#
#   80 LYS  HG-          79 GLY  HN          5.00    (#   2330:10  Unique         3.68, 5.17 A)
 &rst
  ixpk= 2330, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1280,1281,
 &end
#
#   27 ILE  HN           24 GLU  HN          5.00    (#   2332:10  Unique         4.37, 4.72 A)
 &rst
  ixpk= 2332, nxpk= 10, iat= 434, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 ILE  QG2         120 THR  HN          5.00    (#   2339:10  Unique         3.73, 4.63 A)
 &rst
  ixpk= 2339, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 440, 441, 442,
 &end
#
#   27 ILE  QD1         120 THR  HN          5.00    (#   2340:10  Unique         5.04, 6.35 A)
 &rst
  ixpk= 2340, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 447, 448, 449,
 &end
#
#    0 AMB  10-2:2341   120 THR  HN          5.00    (#   2341:10  Single Ambig)
 &rst
  ixpk= 2341, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 504, 505,1966,1967, 501, 502,
 &end
#
#    0 AMB  10-2:2342   120 THR  HN          5.00    (#   2342:10  Single Ambig)
 &rst
  ixpk= 2342, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1930,1931,1927,1928,
 &end
#
#  122 GLN  HG-         120 THR  HN          5.00    (#   2343:10  Unique         3.76, 5.22 A)
 &rst
  ixpk= 2343, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1930,1931,
 &end
#
#  118 ASP  HB+         120 THR  HN          5.00    (#   2344:10  Unique         1.94, 2.86 A)
 &rst
  ixpk= 2344, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1872,1873,
 &end
#
#  119 LYS  HE+         120 THR  HN          5.00    (#   2345:10  Unique         3.26, 4.37 A)
 &rst
  ixpk= 2345, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1893,1894,
 &end
#
#    5 GLN  HN            2 LYS  HN          5.00    (#   2347:10  Unique         4.08, 4.85 A)
 &rst
  ixpk= 2347, nxpk= 10, iat=  86,  21, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 GLN  HE2+          2 LYS  HN          5.00    (#   2348:10  Unique         1.86, 4.01 A)
 &rst
  ixpk= 2348, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  98,  99,
 &end
#
#   83 GLU  HG-          84 THR  HN          5.00    (#   2354:10  Unique         3.45, 4.43 A)
 &rst
  ixpk= 2354, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1343,1344,
 &end
#
#   80 LYS  HB-          84 THR  HN          5.00    (#   2355:10  Unique         3.99, 4.67 A)
 &rst
  ixpk= 2355, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1277,1278,
 &end
#
#    0 AMB  10-2:2356    84 THR  HN          5.00    (#   2356:10  Single Ambig)
 &rst
  ixpk= 2356, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 648, 649, 650, 283, 284, 285, 287, 288, 289,
 &end
#
#   81 ILE  QG2          84 THR  HN          5.00    (#   2357:10  Unique         4.75, 6.04 A)
 &rst
  ixpk= 2357, nxpk= 10, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1301,1302,1303,
 &end
#
#   81 ILE  HG1-         82 LYS  HN          5.00    (#   2359:10  Unique         4.20, 4.88 A)
 &rst
  ixpk= 2359, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1305,1306,
 &end
#
#    0 AMB  10-2:2363    82 LYS  HN          4.00    (#   2363:10  Single Ambig)
 &rst
  ixpk= 2363, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1262,1109,1107,
 &end
#
#    0 AMB  10-2:2364    82 LYS  HN          5.00    (#   2364:10  Single Ambig)
 &rst
  ixpk= 2364, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1275,1338,
 &end
#
#   85 ALA  HN           82 LYS  HN          5.00    (#   2366:10  Unique         4.37, 4.55 A)
 &rst
  ixpk= 2366, nxpk= 10, iat=1365,1314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 PHE  HN          104 ASP  HN          5.00    (#   2367:10  Unique         3.24, 3.75 A)
 &rst
  ixpk= 2367, nxpk= 10, iat=1665,1643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LEU  MDY          83 GLU  HN          5.00    (#   2368:10  Unique         4.94, 6.18 A)
 &rst
  ixpk= 2368, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#   80 LYS  HB-          83 GLU  HN          5.00    (#   2370:10  Unique         5.05, 5.49 A)
 &rst
  ixpk= 2370, nxpk= 10, iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1277,1278,
 &end
#
#   81 ILE  HA           83 GLU  HN          5.00    (#   2371:10  Unique         4.21, 4.73 A)
 &rst
  ixpk= 2371, nxpk= 10, iat=1297,1336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2372    46 GLU  HN          5.00    (#   2372:10  Single Ambig)
 &rst
  ixpk= 2372, nxpk= 10, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 730, 731, 764, 765, 766,
 &end
#
#   36 PHE  HA           69 MET  HN          5.00    (#   2373:10  Unique         4.85, 5.01 A)
 &rst
  ixpk= 2373, nxpk= 10, iat= 582,1116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2374    69 MET  HN          5.00    (#   2374:10  Single Ambig)
 &rst
  ixpk= 2374, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 628, 629,1134,1135,
 &end
#
#    0 AMB  10-2:2375    69 MET  HN          5.00    (#   2375:10  Single Ambig)
 &rst
  ixpk= 2375, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 628, 629,1134,1135,
 &end
#
#   77 ASP  HB-          79 GLY  HN          5.00    (#   2380:10  Unique         2.50, 3.55 A)
 &rst
  ixpk= 2380, nxpk= 10, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1244,1245,
 &end
#
#  140 VAL  MGX         137 GLU  HN          5.00    (#   2386:10  Unique         4.40, 6.78 A)
 &rst
  ixpk= 2386, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#   54 PHE  HD          137 GLU  HN          5.00    (#   2388:10  Unique         2.93, 5.59 A)
 &rst
  ixpk= 2388, nxpk= 10, iat=  -1,2154, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 871, 879,
 &end
#
#   59 GLN  HN           61 GLN  HN          5.00    (#   2389:10  Unique         3.71, 4.06 A)
 &rst
  ixpk= 2389, nxpk= 10, iat= 962, 991, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2390    61 GLN  HN          5.00    (#   2390:10  Single Ambig)
 &rst
  ixpk= 2390, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 485, 486, 482, 483,
 &end
#
#    0 AMB  10-2:2391    61 GLN  HN          5.00    (#   2391:10  Single Ambig)
 &rst
  ixpk= 2391, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 479, 480, 923, 924,
 &end
#
#  144 LEU  MDX          61 GLN  HN          5.00    (#   2392:10  Unique         5.09, 6.42 A)
 &rst
  ixpk= 2392, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#   62 LEU  MDY          61 GLN  HN          5.00    (#   2393:10  Unique         3.57, 6.29 A)
 &rst
  ixpk= 2393, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1017,1018,1019,1021,1022,1023,
 &end
#
#   94 ILE  HG1-         19 GLY  HN          5.00    (#   2394:10  Unique         4.96, 6.04 A)
 &rst
  ixpk= 2394, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1503,1504,
 &end
#
#   93 PRO  HB+          19 GLY  HN          5.00    (#   2396:10  Unique         3.51, 4.81 A)
 &rst
  ixpk= 2396, nxpk= 10, iat=  -1, 307, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1486,1487,
 &end
#
#   17 LEU  HN           19 GLY  HN          5.00    (#   2397:10  Unique         3.15, 3.34 A)
 &rst
  ixpk= 2397, nxpk= 10, iat= 274, 307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  HN          100 HIS  HN          5.00    (#   2401:10  Unique         4.54, 5.03 A)
 &rst
  ixpk= 2401, nxpk= 10, iat=1610,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   97 ASP  HB-         100 HIS  HN          5.00    (#   2406:10  Unique         1.99, 3.36 A)
 &rst
  ixpk= 2406, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1552,1553,
 &end
#
#    0 AMB  10-2:2409   105 ALA  HN          5.00    (#   2409:10  Single Ambig)
 &rst
  ixpk= 2409, nxpk= 10, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1614,1615, 138, 139,
 &end
#
#    0 AMB  10-2:2410   105 ALA  HN          5.00    (#   2410:10  Single Ambig)
 &rst
  ixpk= 2410, nxpk= 10, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1689,1690,1704,1705,
 &end
#
#  104 ASP  HB+         105 ALA  HN          3.00    (#   2411:10  Unique         2.66, 3.48 A)
 &rst
  ixpk= 2411, nxpk= 10, iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1647,1648,
 &end
#
#  103 THR  HN          105 ALA  HN          5.00    (#   2414:10  Unique         3.96, 4.15 A)
 &rst
  ixpk= 2414, nxpk= 10, iat=1629,1655, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  HN          105 ALA  HN          5.00    (#   2415:10  Unique         4.53, 4.94 A)
 &rst
  ixpk= 2415, nxpk= 10, iat=1610,1655, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  HN          105 ALA  HN          5.00    (#   2416:10  Unique         4.53, 4.94 A)
 &rst
  ixpk= 2416, nxpk= 10, iat=1610,1655, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  111 VAL  HA          110 TYR  HN          5.00    (#   2420:10  Unique         4.08, 4.76 A)
 &rst
  ixpk= 2420, nxpk= 10, iat=1752,1729, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  108 ASN  HB+         110 TYR  HN          5.00    (#   2421:10  Unique         3.42, 4.98 A)
 &rst
  ixpk= 2421, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1704,1705,
 &end
#
#  111 VAL  MGY         110 TYR  HN          5.00    (#   2422:10  Unique         2.66, 5.28 A)
 &rst
  ixpk= 2422, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#  111 VAL  MGX         110 TYR  HN          5.00    (#   2423:10  Unique         2.66, 5.28 A)
 &rst
  ixpk= 2423, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#    0 AMB  10-2:2428   139 ARG  HN          5.00    (#   2428:10  Single Ambig)
 &rst
  ixpk= 2428, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2135,2269,
 &end
#
#  122 GLN  HE2-        122 GLN  HN          5.00    (#   2429:10  Unique         3.70, 5.43 A)
 &rst
  ixpk= 2429, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1935,1936,
 &end
#
#    0 AMB  10-2:2430     0 AMB  10-1:2430   5.00    (#   2430:10  Double Ambig)
 &rst
  ixpk= 2430, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1969,1970,1587,1588,
 igr2=1923,1685,
 &end
#
#  117 PHE  HB+         122 GLN  HN          4.00    (#   2431:10  Unique         2.66, 3.97 A)
 &rst
  ixpk= 2431, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1852,1853,
 &end
#
#  118 ASP  HB+         122 GLN  HN          5.00    (#   2432:10  Unique         2.33, 3.26 A)
 &rst
  ixpk= 2432, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1872,1873,
 &end
#
#  118 ASP  HB+         122 GLN  HN          5.00    (#   2433:10  Unique         2.33, 3.26 A)
 &rst
  ixpk= 2433, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1872,1873,
 &end
#
#   27 ILE  QG2         122 GLN  HN          5.00    (#   2434:10  Unique         4.46, 5.26 A)
 &rst
  ixpk= 2434, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 440, 441, 442,
 &end
#
#    0 AMB  10-2:2435     0 AMB  10-1:2435   5.00    (#   2435:10  Double Ambig)
 &rst
  ixpk= 2435, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1619,1620,1621,1623,1624,1625, 447, 448, 449,
 igr2=1685,1923,
 &end
#
#   17 LEU  MDY          86 ALA  HN          5.00    (#   2436:10  Unique         3.08, 5.90 A)
 &rst
  ixpk= 2436, nxpk= 10, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#   90 ILE  QD1          86 ALA  HN          5.00    (#   2437:10  Unique         5.12, 5.97 A)
 &rst
  ixpk= 2437, nxpk= 10, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1442,1443,1444,
 &end
#
#   71 ARG  HG-          72 SER  HN          5.00    (#   2438:10  Unique         4.40, 5.14 A)
 &rst
  ixpk= 2438, nxpk= 10, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1154,1155,
 &end
#
#   76 LEU  MDX          72 SER  HN          5.00    (#   2439:10  Unique         4.15, 6.83 A)
 &rst
  ixpk= 2439, nxpk= 10, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1230,1231,1232,1234,1235,1236,
 &end
#
#    3 LEU  HN            5 GLN  HN          5.00    (#   2441:10  Unique         3.68, 4.48 A)
 &rst
  ixpk= 2441, nxpk= 10, iat=  43,  86, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 ARG  HA            5 GLN  HN          4.00    (#   2445:10  Unique         2.89, 3.03 A)
 &rst
  ixpk= 2445, nxpk= 10, iat=  64,  86, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  144 LEU  MDY          62 LEU  HN          5.00    (#   2446:10  Unique         4.41, 5.66 A)
 &rst
  ixpk= 2446, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#   62 LEU  MDX          62 LEU  HN          4.00    (#   2447:10  Unique         1.91, 4.58 A)
 &rst
  ixpk= 2447, nxpk= 10, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1017,1018,1019,1021,1022,1023,
 &end
#
#   52 ASN  HB+          89 ASP  HN          5.00    (#   2448:10  Unique         5.45, 5.88 A)
 &rst
  ixpk= 2448, nxpk= 10, iat=  -1,1417, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 838, 839,
 &end
#
#   90 ILE  QD1          89 ASP  HN          5.00    (#   2449:10  Unique         3.40, 5.30 A)
 &rst
  ixpk= 2449, nxpk= 10, iat=  -1,1417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1442,1443,1444,
 &end
#
#   81 ILE  QD1          80 LYS  HN          5.00    (#   2450:10  Unique         3.57, 5.31 A)
 &rst
  ixpk= 2450, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1308,1309,1310,
 &end
#
#    0 AMB  10-2:2451     0 AMB  10-1:2451   3.00    (#   2451:10  Double Ambig)
 &rst
  ixpk= 2451, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1280,1281,1604,1605,1606,
 igr2=1273,1600,
 &end
#
#   80 LYS  HE-          80 LYS  HN          5.00    (#   2452:10  Unique         3.18, 4.88 A)
 &rst
  ixpk= 2452, nxpk= 10, iat=  -1,1273, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1286,1287,
 &end
#
#    0 AMB  10-2:2453     0 AMB  10-1:2453   5.00    (#   2453:10  Double Ambig)
 &rst
  ixpk= 2453, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1587,1588,1297,
 igr2=1600,1273,
 &end
#
#   55 ARG  HA           54 PHE  HN          5.00    (#   2454:10  Unique         5.08, 5.25 A)
 &rst
  ixpk= 2454, nxpk= 10, iat= 885, 863, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2455    54 PHE  HN          5.00    (#   2455:10  Single Ambig)
 &rst
  ixpk= 2455, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 887, 888,2086,2087,
 &end
#
#    0 AMB  10-2:2456    54 PHE  HN          5.00    (#   2456:10  Single Ambig)
 &rst
  ixpk= 2456, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 805, 806, 808, 809,
 &end
#
#    0 AMB  10-2:2457    54 PHE  HN          5.00    (#   2457:10  Single Ambig)
 &rst
  ixpk= 2457, nxpk= 10, iat=  -1, 863, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 926, 927,1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  10-2:2461   138 LYS  HN          5.00    (#   2461:10  Single Ambig)
 &rst
  ixpk= 2461, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2144,2145,2146,2148,2149,2150,2106,2107,
 &end
#
#    0 AMB  10-2:2462   138 LYS  HN          5.00    (#   2462:10  Single Ambig)
 &rst
  ixpk= 2462, nxpk= 10, iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2139,2140,2142,
 &end
#
#  136 LEU  HA          138 LYS  HN          5.00    (#   2464:10  Unique         3.59, 3.75 A)
 &rst
  ixpk= 2464, nxpk= 10, iat=2137,2169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  139 ARG  HA          138 LYS  HN          5.00    (#   2465:10  Unique         4.80, 4.89 A)
 &rst
  ixpk= 2465, nxpk= 10, iat=2193,2169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 HIS  HD2         125 HIS  HN          5.00    (#   2466:10  Unique         4.38, 4.78 A)
 &rst
  ixpk= 2466, nxpk= 10, iat=1996,1983, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2467   125 HIS  HN          5.00    (#   2467:10  Single Ambig)
 &rst
  ixpk= 2467, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2004,2005,2201,2202,
 &end
#
#    0 AMB  10-2:2468   125 HIS  HN          5.00    (#   2468:10  Single Ambig)
 &rst
  ixpk= 2468, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1969,1970,1852,1853,
 &end
#
#  124 ARG  HG-         125 HIS  HN          5.00    (#   2469:10  Unique         4.30, 4.84 A)
 &rst
  ixpk= 2469, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1966,1967,
 &end
#
#   39 ILE  QD1          77 ASP  HN          5.00    (#   2470:10  Unique         4.30, 5.67 A)
 &rst
  ixpk= 2470, nxpk= 10, iat=  -1,1240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 648, 649, 650,
 &end
#
#    0 AMB  10-2:2471     0 AMB  10-1:2471   4.00    (#   2471:10  Double Ambig)
 &rst
  ixpk= 2471, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1253,1254, 865,
 igr2=1240, 848,
 &end
#
#  147 THR  MG2         146 GLU  HN          5.00    (#   2473:10  Unique         4.67, 5.89 A)
 &rst
  ixpk= 2473, nxpk= 10, iat=  -1,2314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2335,2336,2337,
 &end
#
#  142 ARG  HB+         143 VAL  HN          3.00    (#   2474:10  Unique         2.46, 3.31 A)
 &rst
  ixpk= 2474, nxpk= 10, iat=  -1,2269, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2249,2250,
 &end
#
#   90 ILE  HN           88 HIS  HN          5.00    (#   2475:10  Unique         3.29, 4.05 A)
 &rst
  ixpk= 2475, nxpk= 10, iat=1429,1400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 ILE  HG1-         88 HIS  HN          5.00    (#   2476:10  Unique         3.38, 4.20 A)
 &rst
  ixpk= 2476, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1439,1440,
 &end
#
#   90 ILE  HG1+         88 HIS  HN          5.00    (#   2477:10  Unique         3.38, 4.20 A)
 &rst
  ixpk= 2477, nxpk= 10, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1439,1440,
 &end
#
#   23 ARG  HN           22 THR  HN          5.00    (#   2479:10  Unique         4.45, 4.49 A)
 &rst
  ixpk= 2479, nxpk= 10, iat= 359, 345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  130 GLY  HA-         136 LEU  HN          5.00    (#   2480:10  Unique         3.60, 5.53 A)
 &rst
  ixpk= 2480, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2056,2057,
 &end
#
#   21 VAL  MGX          25 GLN  HN          4.00    (#   2481:10  Unique         3.34, 5.73 A)
 &rst
  ixpk= 2481, nxpk= 10, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 335, 336, 337, 339, 340, 341,
 &end
#
#   23 ARG  HN           25 GLN  HN          5.00    (#   2482:10  Unique         4.35, 4.56 A)
 &rst
  ixpk= 2482, nxpk= 10, iat= 359, 398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  128 ALA  MB          113 ALA  HN          5.00    (#   2483:10  Unique         4.12, 5.33 A)
 &rst
  ixpk= 2483, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2041,2042,2043,
 &end
#
#   35 HIS  HB-         113 ALA  HN          5.00    (#   2484:10  Unique         3.53, 4.39 A)
 &rst
  ixpk= 2484, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 567, 568,
 &end
#
#   36 PHE  HA          113 ALA  HN          5.00    (#   2486:10  Unique         4.43, 4.68 A)
 &rst
  ixpk= 2486, nxpk= 10, iat= 582,1780, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  129 GLY  HN          113 ALA  HN          5.00    (#   2488:10  Unique         4.76, 4.97 A)
 &rst
  ixpk= 2488, nxpk= 10, iat=2047,1780, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  114 TYR  HN          113 ALA  HN          5.00    (#   2489:10  Unique         4.18, 4.30 A)
 &rst
  ixpk= 2489, nxpk= 10, iat=1790,1780, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  114 TYR  HN          113 ALA  HN          5.00    (#   2490:10  Unique         4.18, 4.30 A)
 &rst
  ixpk= 2490, nxpk= 10, iat=1790,1780, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2491   113 ALA  HN          5.00    (#   2491:10  Single Ambig)
 &rst
  ixpk= 2491, nxpk= 10, iat=  -1,1780, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 600,1811,
 &end
#
#    0 AMB  10-2:2492    45 LYS  HN          5.00    (#   2492:10  Single Ambig)
 &rst
  ixpk= 2492, nxpk= 10, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 684, 747,2074,2075, 619,
 &end
#
#    0 AMB  10-2:2493    41 CYS  HN          5.00    (#   2493:10  Single Ambig)
 &rst
  ixpk= 2493, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1756,1757,1758,1760,1761,1762, 648, 649, 650,
 &end
#
#   42 HIS  HA           41 CYS  HN          5.00    (#   2494:10  Unique         4.62, 4.82 A)
 &rst
  ixpk= 2494, nxpk= 10, iat= 678, 665, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 CYS  HN           41 CYS  HN          5.00    (#   2495:10  Unique         4.44, 4.67 A)
 &rst
  ixpk= 2495, nxpk= 10, iat= 712, 665, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 LYS  HD+          41 CYS  HN          5.00    (#   2499:10  Unique         3.15, 4.21 A)
 &rst
  ixpk= 2499, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 733, 734,
 &end
#
#  102 LEU  MDY          11 THR  HN          5.00    (#   2500:10  Unique         2.90, 5.83 A)
 &rst
  ixpk= 2500, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#    9 GLU  HB-          11 THR  HN          5.00    (#   2501:10  Unique         3.53, 5.00 A)
 &rst
  ixpk= 2501, nxpk= 10, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 152, 153,
 &end
#
#   10 LEU  HN           11 THR  HN          5.00    (#   2502:10  Unique         2.93, 3.82 A)
 &rst
  ixpk= 2502, nxpk= 10, iat= 163, 182, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 ASP  HB+          59 GLN  HN          5.00    (#   2504:10  Unique         5.43, 5.70 A)
 &rst
  ixpk= 2504, nxpk= 10, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 911, 912,
 &end
#
#    0 AMB  10-2:2505    59 GLN  HN          5.00    (#   2505:10  Single Ambig)
 &rst
  ixpk= 2505, nxpk= 10, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 890, 891, 923, 924,
 &end
#
#    0 AMB  10-2:2506    59 GLN  HN          5.00    (#   2506:10  Single Ambig)
 &rst
  ixpk= 2506, nxpk= 10, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1047,1048,1049,1051,1052,1053, 926, 927,
 &end
#
#   62 LEU  MDY          59 GLN  HN          5.00    (#   2507:10  Unique         5.32, 7.61 A)
 &rst
  ixpk= 2507, nxpk= 10, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1017,1018,1019,1021,1022,1023,
 &end
#
#    0 AMB  10-2:2508    27 ILE  HN          5.00    (#   2508:10  Single Ambig)
 &rst
  ixpk= 2508, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 455, 456, 349,1904,
 &end
#
#    2 LYS  HN            5 GLN  HE2+        5.00    (#   2515:10  Unique         1.86, 4.01 A)
 &rst
  ixpk= 2515, nxpk= 10, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  98,  99,
 &end
#
#    3 LEU  HN            5 GLN  HE2+        5.00    (#   2516:10  Unique         4.31, 5.41 A)
 &rst
  ixpk= 2516, nxpk= 10, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  98,  99,
 &end
#
#    0 AMB  10-2:2517     0 AMB  10-1:2517   5.00    (#   2517:10  Double Ambig)
 &rst
  ixpk= 2517, 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
#
#    6 PRO  HD-           5 GLN  HE2+        5.00    (#   2518:10  Unique         4.93, 6.66 A)
 &rst
  ixpk= 2518, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 104, 105,
 igr2=  98,  99,
 &end
#
#    5 GLN  HB+           5 GLN  HE2+        5.00    (#   2519:10  Unique         1.76, 2.97 A)
 &rst
  ixpk= 2519, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  90,  91,
 igr2=  98,  99,
 &end
#
#    5 GLN  HB-           5 GLN  HE2+        5.00    (#   2520:10  Unique         1.76, 2.97 A)
 &rst
  ixpk= 2520, 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  10-2:2521     0 AMB  10-1:2521   5.00    (#   2521:10  Double Ambig)
 &rst
  ixpk= 2521, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=   8,   9,1944,1945,
 igr2=  98,  99,  98,  99,
 &end
#
#    1 MET  HB+           5 GLN  HE2+        5.00    (#   2522:10  Unique         1.92, 3.32 A)
 &rst
  ixpk= 2522, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=   8,   9,
 igr2=  98,  99,
 &end
#
#   90 ILE  HG1+         91 THR  HN          5.00    (#   2523:10  Unique         4.13, 5.16 A)
 &rst
  ixpk= 2523, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1439,1440,
 &end
#
#   90 ILE  HG1-         91 THR  HN          5.00    (#   2524:10  Unique         4.13, 5.16 A)
 &rst
  ixpk= 2524, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1439,1440,
 &end
#
#   92 GLN  HB-          91 THR  HN          5.00    (#   2525:10  Unique         3.85, 4.95 A)
 &rst
  ixpk= 2525, nxpk= 10, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1466,1467,
 &end
#
#   92 GLN  HA           91 THR  HN          5.00    (#   2528:10  Unique         4.46, 4.72 A)
 &rst
  ixpk= 2528, nxpk= 10, iat=1464,1448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   90 ILE  HN           91 THR  HN          5.00    (#   2529:10  Unique         3.81, 4.23 A)
 &rst
  ixpk= 2529, nxpk= 10, iat=1429,1448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ASN  HA           63 ASN  HD2+        5.00    (#   2530:10  Unique         3.81, 4.36 A)
 &rst
  ixpk= 2530, nxpk= 10, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1036,1037,
 &end
#
#   94 ILE  HG1-         18 ASN  HD2-        5.00    (#   2532:10  Unique         2.04, 4.49 A)
 &rst
  ixpk= 2532, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1503,1504,
 igr2= 302, 303,
 &end
#
#   91 THR  MG2          18 ASN  HD2-        5.00    (#   2533:10  Unique         4.33, 5.69 A)
 &rst
  ixpk= 2533, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1454,1455,1456,
 igr2= 302, 303,
 &end
#
#   94 ILE  HB           18 ASN  HD2-        5.00    (#   2534:10  Unique         3.93, 5.51 A)
 &rst
  ixpk= 2534, nxpk= 10, iat=1497,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 302, 303,
 &end
#
#   50 GLN  HG+          52 ASN  HD2+        5.00    (#   2535:10  Unique         5.55, 6.68 A)
 &rst
  ixpk= 2535, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 808, 809,
 igr2= 843, 844,
 &end
#
#   36 PHE  HB-         108 ASN  HD2+        5.00    (#   2537:10  Unique         1.93, 4.04 A)
 &rst
  ixpk= 2537, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 584, 585,
 igr2=1709,1710,
 &end
#
#    0 AMB  10-2:2538     0 AMB  10-1:2538   5.00    (#   2538:10  Double Ambig)
 &rst
  ixpk= 2538, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1718,1719,1617,
 igr2=1709,1710,1709,1710,
 &end
#
#    0 AMB  10-2:2539   117 PHE  HN          5.00    (#   2539:10  Single Ambig)
 &rst
  ixpk= 2539, nxpk= 10, iat=  -1,1848, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2221,2222,2223,2225,2226,2227,1949,1950,1951,1953,
      1954,1955,
 &end
#
#  120 THR  MG2         122 GLN  HE2-        5.00    (#   2542:10  Unique         1.91, 4.23 A)
 &rst
  ixpk= 2542, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1908,1909,1910,
 igr2=1935,1936,
 &end
#
#    3 LEU  MDX         126 PHE  HN          5.00    (#   2544:10  Unique         3.13, 5.68 A)
 &rst
  ixpk= 2544, nxpk= 10, iat=  -1,2000, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#  108 ASN  HN          109 GLU  HN          5.00    (#   2546:10  Unique         4.25, 4.52 A)
 &rst
  ixpk= 2546, nxpk= 10, iat=1700,1714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  111 VAL  MGX          37 TRP  HN          5.00    (#   2550:10  Unique         2.61, 5.05 A)
 &rst
  ixpk= 2550, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#   67 VAL  HB           37 TRP  HN          5.00    (#   2551:10  Unique         3.87, 4.14 A)
 &rst
  ixpk= 2551, nxpk= 10, iat=1087, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2554   136 LEU  HN          5.00    (#   2554:10  Single Ambig)
 &rst
  ixpk= 2554, nxpk= 10, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=2090,2091,2092,2176,2177,
 &end
#
#    2 LYS  HN            5 GLN  HN          5.00    (#   2555:10  Unique         4.08, 4.85 A)
 &rst
  ixpk= 2555, nxpk= 10, iat=  21,  86, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2557    53 GLU  HN          5.00    (#   2557:10  Single Ambig)
 &rst
  ixpk= 2557, nxpk= 10, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 805, 806, 808, 809,
 &end
#
#  119 LYS  HA           29 GLU  HN          5.00    (#   2558:10  Unique         3.98, 4.41 A)
 &rst
  ixpk= 2558, nxpk= 10, iat=1882, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  HA          104 ASP  HN          5.00    (#   2562:10  Unique         3.24, 3.38 A)
 &rst
  ixpk= 2562, nxpk= 10, iat=1612,1643, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   97 ASP  HA           98 SER  HN          4.00    (#   2564:10  Unique         2.27, 2.67 A)
 &rst
  ixpk= 2564, nxpk= 10, iat=1550,1560, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   98 SER  HB+          98 SER  HN          4.00    (#   2565:10  Unique         2.20, 2.96 A)
 &rst
  ixpk= 2565, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1564,1565,
 &end
#
#   97 ASP  HA           99 ASP  HN          5.00    (#   2566:10  Unique         3.51, 4.15 A)
 &rst
  ixpk= 2566, nxpk= 10, iat=1550,1571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   96 VAL  MGX          98 SER  HN          5.00    (#   2567:10  Unique         2.93, 6.23 A)
 &rst
  ixpk= 2567, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#   45 LYS  HA           48 MET  HN          4.00    (#   2568:10  Unique         2.88, 3.18 A)
 &rst
  ixpk= 2568, nxpk= 10, iat= 725, 770, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:2569     0 AMB  10-1:2569   4.00    (#   2569:10  Double Ambig)
 &rst
  ixpk= 2569, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 803,1109,
 igr2= 848,1240,
 &end
#
#  123 LEU  HN          124 ARG  HN          5.00    (#   2570:10  Unique         4.44, 4.56 A)
 &rst
  ixpk= 2570, nxpk= 10, iat=1940,1959, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  124 ARG  HG+         125 HIS  HN          5.00    (#   2571:10  Unique         4.30, 4.84 A)
 &rst
  ixpk= 2571, nxpk= 10, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1966,1967,
 &end
#
#   63 ASN  HA           63 ASN  HD2-        5.00    (#   2572:10  Unique         3.81, 4.36 A)
 &rst
  ixpk= 2572, nxpk= 10, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1036,1037,
 &end
#
#  116 VAL  HN          117 PHE  HN          5.00    (#   2573:10  Unique         4.25, 4.46 A)
 &rst
  ixpk= 2573, nxpk= 10, iat=1832,1848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 ILE  HN          117 PHE  HN          5.00    (#   2574:10  Unique         4.78, 4.89 A)
 &rst
  ixpk= 2574, nxpk= 10, iat= 544,1848, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:2575    33 LEU  HN          4.00    (#   2575:10  Single Ambig)
 &rst
  ixpk= 2575, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 534, 535, 536, 538, 539, 540,1047,1048,1049,1051,
      1052,1053,1012,1013,
 &end
#
#   94 ILE  HG1-         94 ILE  HN          5.00    (#   2576:10  Unique         2.04, 3.02 A)
 &rst
  ixpk= 2576, nxpk= 10, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1503,1504,
 &end
#
#   90 ILE  QG2          90 ILE  HN          4.00    (#   2577:10  Unique         3.11, 4.18 A)
 &rst
  ixpk= 2577, nxpk= 10, iat=  -1,1429, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1435,1436,1437,
 &end
#
#   55 ARG  HA           55 ARG  HN          5.00    (#   2578:10  Unique         2.70, 2.74 A)
 &rst
  ixpk= 2578, nxpk= 10, iat= 885, 883, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 ARG  HB+          55 ARG  HN          4.00    (#   2579:10  Unique         2.03, 2.52 A)
 &rst
  ixpk= 2579, nxpk= 10, iat=  -1, 883, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 887, 888,
 &end
#
#  138 LYS  HB+         139 ARG  HN          3.00    (#   2580:10  Unique         2.49, 3.47 A)
 &rst
  ixpk= 2580, nxpk= 10, iat=  -1,2191, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2173,2174,
 &end
#
#   52 ASN  HA           55 ARG  HN          4.00    (#   2581:10  Unique         3.45, 3.72 A)
 &rst
  ixpk= 2581, nxpk= 10, iat= 836, 883, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:2582    25 GLN  HN          3.00    (#   2582:10  Single Ambig)
 &rst
  ixpk= 2582, 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  10-2:2583    95 PHE  HN          5.00    (#   2583:10  Single Ambig)
 &rst
  ixpk= 2583, nxpk= 10, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1099,1548,
 &end
#
#    0 AMB  10-2:2585    37 TRP  HN          5.00    (#   2585:10  Single Ambig)
 &rst
  ixpk= 2585, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 604, 605, 584, 585,
 &end
#
#  107 GLU  HG-         107 GLU  HN          4.00    (#   2586:10  Unique         4.05, 4.41 A)
 &rst
  ixpk= 2586, nxpk= 10, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1692,1693,
 &end
#
#  107 GLU  HB+         107 GLU  HN          3.00    (#   2587:10  Unique         3.06, 3.57 A)
 &rst
  ixpk= 2587, nxpk= 10, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1689,1690,
 &end
#
#   30 LYS  HB+          30 LYS  HN          4.00    (#   2588:10  Unique         2.40, 3.13 A)
 &rst
  ixpk= 2588, nxpk= 10, iat=  -1, 475, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 479, 480,
 &end
#
#   37 TRP  HD1           0 AMB  10-1:2589   5.00    (#   2589:10  Single Ambig)
 &rst
  ixpk= 2589, nxpk= 10, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1099, 563,
 &end
#
#  119 LYS  HA           32 THR  HN          5.00    (#   2590:10  Unique         3.72, 3.90 A)
 &rst
  ixpk= 2590, nxpk= 10, iat=1882, 511, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 LYS  HB+          14 LYS  HN          5.00    (#   2592:10  Unique         2.39, 3.24 A)
 &rst
  ixpk= 2592, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 222, 223,
 &end
#
#  106 PHE  HA          107 GLU  HN          4.00    (#   2594:10  Unique         3.50, 3.57 A)
 &rst
  ixpk= 2594, nxpk= 10, iat=1667,1685, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:2595     0 AMB  10-1:2595   4.00    (#   2595:10  Double Ambig)
 &rst
  ixpk= 2595, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1918,1919,1633,
 igr2=1923,1685,
 &end
#
#  122 GLN  HB+         122 GLN  HN          4.00    (#   2596:10  Unique         2.16, 3.08 A)
 &rst
  ixpk= 2596, nxpk= 10, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1927,1928,
 &end
#
#  123 LEU  HN            7 MET  HN          5.00    (#   2597:10  Unique         3.64, 4.52 A)
 &rst
  ixpk= 2597, nxpk= 10, iat=1940, 117, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 HIS  HD2         126 PHE  HN          5.00    (#   2598:10  Unique         2.40, 2.96 A)
 &rst
  ixpk= 2598, nxpk= 10, iat=1996,2000, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  MDX         101 ALA  HN          5.00    (#   2600:10  Unique         3.07, 5.82 A)
 &rst
  ixpk= 2600, nxpk= 10, iat=  -1,1600, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#    0 AMB  10-2:2601    33 LEU  HN          5.00    (#   2601:10  Single Ambig)
 &rst
  ixpk= 2601, nxpk= 10, iat=  -1, 525, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 532, 422, 419, 420,
 &end
#
#   65 VAL  HN           64 VAL  HA          3.00    (#      0:20  Unique         2.20, 2.30 A)
 &rst
  ixpk= 0, nxpk= 20, iat=1057,1043, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   64 VAL  HN           64 VAL  HA          5.00    (#      1:20  Unique         2.89, 2.93 A)
 &rst
  ixpk= 1, nxpk= 20, iat=1041,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 LEU  HN           64 VAL  HA          5.00    (#      2:20  Unique         2.57, 2.99 A)
 &rst
  ixpk= 2, nxpk= 20, iat= 525,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 LEU  HN           32 THR  HA          4.00    (#      4:20  Unique         2.21, 2.31 A)
 &rst
  ixpk= 4, nxpk= 20, iat= 525, 513, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   63 ASN  HN           32 THR  HA          4.00    (#      6:20  Unique         2.74, 2.92 A)
 &rst
  ixpk= 6, nxpk= 20, iat=1027, 513, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 THR  HN           32 THR  HA          5.00    (#      7:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 7, nxpk= 20, iat= 511, 513, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 HIS  HN           34 ILE  HA          3.00    (#      8:20  Unique         2.18, 2.18 A)
 &rst
  ixpk= 8, nxpk= 20, iat= 563, 546, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   34 ILE  HN           34 ILE  HA          5.00    (#      9:20  Unique         2.92, 2.94 A)
 &rst
  ixpk= 9, nxpk= 20, iat= 544, 546, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   66 ALA  HN           94 ILE  HA          5.00    (#     10:20  Unique         2.30, 2.69 A)
 &rst
  ixpk= 10, nxpk= 20, iat=1073,1495, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   95 PHE  HN           94 ILE  HA          4.00    (#     11:20  Unique         2.18, 2.19 A)
 &rst
  ixpk= 11, nxpk= 20, iat=1512,1495, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 HIS  HA          114 TYR  HA          5.00    (#     12:20  Unique         1.86, 1.94 A)
 &rst
  ixpk= 12, nxpk= 20, iat= 565,1792, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  115 TYR  HN          114 TYR  HA          4.00    (#     13:20  Unique         2.19, 2.20 A)
 &rst
  ixpk= 13, nxpk= 20, iat=1811,1792, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  114 TYR  HN          114 TYR  HA          5.00    (#     14:20  Unique         2.89, 2.92 A)
 &rst
  ixpk= 14, nxpk= 20, iat=1790,1792, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:15     114 TYR  HA          6.00    (#     15:20  Single Ambig)
 &rst
  ixpk= 15, nxpk= 20, iat=  -1,1792, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 576,1739,1744,
 &end
#
#   17 LEU  HN           16 TRP  HA          4.00    (#     16:20  Unique         2.21, 2.27 A)
 &rst
  ixpk= 16, nxpk= 20, iat= 274, 252, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 VAL  HN           16 TRP  HA          5.00    (#     17:20  Unique         2.92, 3.63 A)
 &rst
  ixpk= 17, nxpk= 20, iat=1532, 252, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 TRP  HN           36 PHE  HA          4.00    (#     19:20  Unique         2.19, 2.22 A)
 &rst
  ixpk= 19, nxpk= 20, iat= 600, 582, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  113 ALA  HN           36 PHE  HA          6.00    (#     20:20  Unique         4.43, 4.68 A)
 &rst
  ixpk= 20, nxpk= 20, iat=1780, 582, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:21      36 PHE  HA          5.00    (#     21:20  Single Ambig)
 &rst
  ixpk= 21, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 608, 588, 596,
 &end
#
#  110 TYR  HE           36 PHE  HA          5.00    (#     22:20  Unique         5.08, 7.21 A)
 &rst
  ixpk= 22, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1739,1744,
 &end
#
#   67 VAL  HN           36 PHE  HA          5.00    (#     23:20  Unique         2.24, 2.48 A)
 &rst
  ixpk= 23, nxpk= 20, iat=1083, 582, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HN          117 PHE  HA          5.00    (#     24:20  Unique         2.91, 2.92 A)
 &rst
  ixpk= 24, nxpk= 20, iat=1848,1850, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  124 ARG  HN          117 PHE  HA          5.00    (#     25:20  Unique         2.54, 2.75 A)
 &rst
  ixpk= 25, nxpk= 20, iat=1959,1850, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  118 ASP  HN          117 PHE  HA          4.00    (#     26:20  Unique         2.19, 2.22 A)
 &rst
  ixpk= 26, nxpk= 20, iat=1868,1850, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  125 HIS  HN          117 PHE  HA          5.00    (#     27:20  Unique         4.21, 4.35 A)
 &rst
  ixpk= 27, nxpk= 20, iat=1983,1850, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 TRP  HN           37 TRP  HA          5.00    (#     30:20  Unique         2.88, 2.92 A)
 &rst
  ixpk= 30, nxpk= 20, iat= 600, 602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 SER  HN           37 TRP  HA          4.00    (#     31:20  Unique         2.32, 2.44 A)
 &rst
  ixpk= 31, nxpk= 20, iat= 624, 602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  126 PHE  HN          126 PHE  HA          4.00    (#     32:20  Unique         2.87, 2.89 A)
 &rst
  ixpk= 32, nxpk= 20, iat=2000,2002, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  116 VAL  HN          126 PHE  HA          5.00    (#     33:20  Unique         2.88, 3.03 A)
 &rst
  ixpk= 33, nxpk= 20, iat=1832,2002, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  127 GLN  HN          126 PHE  HA          3.00    (#     34:20  Unique         2.19, 2.21 A)
 &rst
  ixpk= 34, nxpk= 20, iat=2020,2002, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  115 TYR  HE          126 PHE  HA          5.00    (#     35:20  Unique         5.16, 5.82 A)
 &rst
  ixpk= 35, nxpk= 20, iat=  -1,2002, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1821,1826,
 &end
#
#  125 HIS  HD2         126 PHE  HA          5.00    (#     36:20  Unique         2.88, 3.12 A)
 &rst
  ixpk= 36, nxpk= 20, iat=1996,2002, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HN           33 LEU  HA          5.00    (#     37:20  Unique         3.27, 3.45 A)
 &rst
  ixpk= 37, nxpk= 20, iat=1848, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 ILE  HN           33 LEU  HA          4.00    (#     38:20  Unique         2.18, 2.19 A)
 &rst
  ixpk= 38, nxpk= 20, iat= 544, 527, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 LEU  HN           33 LEU  HA          5.00    (#     39:20  Unique         2.90, 2.92 A)
 &rst
  ixpk= 39, nxpk= 20, iat= 525, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:40      33 LEU  HA          5.00    (#     40:20  Single Ambig)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1057, 563,1027,
 &end
#
#   35 HIS  HN           35 HIS  HA          5.00    (#     41:20  Unique         2.93, 2.93 A)
 &rst
  ixpk= 41, nxpk= 20, iat= 563, 565, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 PHE  HN           35 HIS  HA          4.00    (#     43:20  Unique         2.19, 2.24 A)
 &rst
  ixpk= 43, nxpk= 20, iat= 580, 565, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:44      64 VAL  HA          5.00    (#     44:20  Single Ambig)
 &rst
  ixpk= 44, nxpk= 20, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1061, 554, 555,
 &end
#
#   33 LEU  HB-          64 VAL  HA          5.00    (#     45:20  Unique         2.27, 3.35 A)
 &rst
  ixpk= 45, nxpk= 20, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 529, 530,
 &end
#
#   33 LEU  HB+          64 VAL  HA          5.00    (#     46:20  Unique         2.27, 3.35 A)
 &rst
  ixpk= 46, nxpk= 20, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 529, 530,
 &end
#
#   64 VAL  HB           64 VAL  HA          4.00    (#     47:20  Unique         2.94, 2.98 A)
 &rst
  ixpk= 47, nxpk= 20, iat=1045,1043, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 VAL  MGY          64 VAL  HA          3.00    (#     48:20  Unique         2.01, 3.15 A)
 &rst
  ixpk= 48, nxpk= 20, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#   64 VAL  MGX          64 VAL  HA          3.00    (#     49:20  Unique         2.01, 3.15 A)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  20-2:51      64 VAL  HA          5.00    (#     51:20  Single Ambig)
 &rst
  ixpk= 51, nxpk= 20, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 527, 546,
 &end
#
#   62 LEU  HA           32 THR  HA          6.00    (#     52:20  Unique         4.51, 4.94 A)
 &rst
  ixpk= 52, nxpk= 20, iat=1010, 513, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   63 ASN  HB-          32 THR  HA          5.00    (#     53:20  Unique         2.08, 3.23 A)
 &rst
  ixpk= 53, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1031,1032,
 &end
#
#   63 ASN  HB+          32 THR  HA          5.00    (#     54:20  Unique         2.08, 3.23 A)
 &rst
  ixpk= 54, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1031,1032,
 &end
#
#    0 AMB  20-2:55      32 THR  HA          5.00    (#     55:20  Single Ambig)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1012,1013, 504, 505, 554, 555, 501, 502, 479, 480,
      
 &end
#
#   32 THR  MG2          32 THR  HA          4.00    (#     56:20  Unique         2.49, 3.34 A)
 &rst
  ixpk= 56, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 517, 518, 519,
 &end
#
#    0 AMB  20-2:57      32 THR  HA          4.00    (#     57:20  Single Ambig)
 &rst
  ixpk= 57, nxpk= 20, iat=  -1, 513, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1017,1018,1019,1021,1022,1023, 424, 425, 426, 428,
       429, 430,
 &end
#
#   65 VAL  MGX          34 ILE  HA          4.00    (#     58:20  Unique         1.89, 3.72 A)
 &rst
  ixpk= 58, nxpk= 20, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1063,1064,1065,1067,1068,1069,
 &end
#
#   34 ILE  HG1+         34 ILE  HA          4.00    (#     59:20  Unique         2.44, 2.92 A)
 &rst
  ixpk= 59, 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    (#     60:20  Unique         2.44, 2.92 A)
 &rst
  ixpk= 60, 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    (#     61:20  Unique         2.24, 3.06 A)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 550, 551, 552,
 &end
#
#   64 VAL  HA           34 ILE  HA          5.00    (#     62:20  Unique         4.68, 4.95 A)
 &rst
  ixpk= 62, nxpk= 20, iat=1043, 546, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 ILE  QG2          94 ILE  HA          4.00    (#     63:20  Unique         2.22, 3.08 A)
 &rst
  ixpk= 63, nxpk= 20, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1499,1500,1501,
 &end
#
#    0 AMB  20-2:64      94 ILE  HA          6.00    (#     64:20  Single Ambig)
 &rst
  ixpk= 64, nxpk= 20, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1497,1061,
 &end
#
#   94 ILE  HG1+         94 ILE  HA          6.00    (#     65:20  Unique         2.32, 3.15 A)
 &rst
  ixpk= 65, nxpk= 20, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1503,1504,
 &end
#
#   35 HIS  HB-         114 TYR  HA          5.00    (#     66:20  Unique         1.82, 2.50 A)
 &rst
  ixpk= 66, nxpk= 20, iat=  -1,1792, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 567, 568,
 &end
#
#  114 TYR  HB-         114 TYR  HA          5.00    (#     67:20  Unique         2.32, 2.69 A)
 &rst
  ixpk= 67, nxpk= 20, iat=  -1,1792, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1794,1795,
 &end
#
#   35 HIS  HB+         114 TYR  HA          5.00    (#     68:20  Unique         1.82, 2.50 A)
 &rst
  ixpk= 68, nxpk= 20, iat=  -1,1792, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 567, 568,
 &end
#
#  114 TYR  HB+         114 TYR  HA          5.00    (#     69:20  Unique         2.32, 2.69 A)
 &rst
  ixpk= 69, nxpk= 20, iat=  -1,1792, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1794,1795,
 &end
#
#   33 LEU  MDY         114 TYR  HA          5.00    (#     70:20  Unique         3.36, 5.16 A)
 &rst
  ixpk= 70, nxpk= 20, iat=  -1,1792, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#   16 TRP  HB-          16 TRP  HA          4.00    (#     71:20  Unique         2.24, 2.49 A)
 &rst
  ixpk= 71, 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          4.00    (#     72:20  Unique         2.24, 2.49 A)
 &rst
  ixpk= 72, nxpk= 20, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 254, 255,
 &end
#
#    0 AMB  20-2:73      16 TRP  HA          5.00    (#     73:20  Single Ambig)
 &rst
  ixpk= 73, nxpk= 20, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 281, 278, 279,
 &end
#
#   15 ALA  MB           16 TRP  HA          6.00    (#     74:20  Unique         4.32, 5.03 A)
 &rst
  ixpk= 74, nxpk= 20, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 244, 245, 246,
 &end
#
#    0 AMB  20-2:75      16 TRP  HA          5.00    (#     75:20  Single Ambig)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1538,1539,1540,1542,1543,1544, 283, 284, 285, 287,
       288, 289,
 &end
#
#    0 AMB  20-2:76      16 TRP  HA          5.00    (#     76:20  Single Ambig)
 &rst
  ixpk= 76, nxpk= 20, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1538,1539,1540,1542,1543,1544, 283, 284, 285, 287,
       288, 289,
 &end
#
#   36 PHE  HB-          36 PHE  HA          4.00    (#     77:20  Unique         2.47, 2.83 A)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 584, 585,
 &end
#
#   67 VAL  HB           36 PHE  HA          4.00    (#     78:20  Unique         2.06, 2.54 A)
 &rst
  ixpk= 78, nxpk= 20, iat=1087, 582, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  111 VAL  MGX          36 PHE  HA          5.00    (#     79:20  Unique         3.67, 5.75 A)
 &rst
  ixpk= 79, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#   67 VAL  MGY          36 PHE  HA          5.00    (#     80:20  Unique         2.00, 4.48 A)
 &rst
  ixpk= 80, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   67 VAL  MGX          36 PHE  HA          5.00    (#     81:20  Unique         2.00, 4.48 A)
 &rst
  ixpk= 81, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:82     117 PHE  HA          5.00    (#     82:20  Single Ambig)
 &rst
  ixpk= 82, nxpk= 20, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 128, 129, 130,1944,1945,
 &end
#
#  123 LEU  MDX         117 PHE  HA          5.00    (#     83:20  Unique         3.40, 5.61 A)
 &rst
  ixpk= 83, nxpk= 20, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#  123 LEU  MDY         117 PHE  HA          5.00    (#     84:20  Unique         3.40, 5.61 A)
 &rst
  ixpk= 84, nxpk= 20, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#  123 LEU  HA          117 PHE  HA          5.00    (#     85:20  Unique         2.28, 2.53 A)
 &rst
  ixpk= 85, nxpk= 20, iat=1942,1850, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:86     117 PHE  HA          5.00    (#     86:20  Single Ambig)
 &rst
  ixpk= 86, nxpk= 20, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1852,1853,1969,1970,
 &end
#
#  117 PHE  HB+         117 PHE  HA          5.00    (#     87:20  Unique         2.48, 2.82 A)
 &rst
  ixpk= 87, nxpk= 20, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1852,1853,
 &end
#
#   37 TRP  HB-          37 TRP  HA          5.00    (#     89:20  Unique         2.25, 2.43 A)
 &rst
  ixpk= 89, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 604, 605,
 &end
#
#    0 AMB  20-2:90      37 TRP  HA          4.00    (#     90:20  Single Ambig)
 &rst
  ixpk= 90, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1773,1774,1754,
 &end
#
#  111 VAL  MGY          37 TRP  HA          5.00    (#     91:20  Unique         1.97, 3.91 A)
 &rst
  ixpk= 91, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#    0 AMB  20-2:93     126 PHE  HA          5.00    (#     93:20  Single Ambig)
 &rst
  ixpk= 93, nxpk= 20, iat=  -1,2002, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1838,1839,1840,1842,1843,1844,1949,1950,1951,1953,
      1954,1955,
 &end
#
#    0 AMB  20-2:94     126 PHE  HA          5.00    (#     94:20  Single Ambig)
 &rst
  ixpk= 94, nxpk= 20, iat=  -1,2002, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,2144,2145,2146,2148,
      2149,2150,
 &end
#
#  115 TYR  HA          126 PHE  HA          4.00    (#     95:20  Unique         1.96, 2.12 A)
 &rst
  ixpk= 95, nxpk= 20, iat=1813,2002, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  126 PHE  HB+         126 PHE  HA          4.00    (#     96:20  Unique         2.32, 2.65 A)
 &rst
  ixpk= 96, nxpk= 20, iat=  -1,2002, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2004,2005,
 &end
#
#  126 PHE  HB-         126 PHE  HA          4.00    (#     97:20  Unique         2.32, 2.65 A)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1,2002, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2004,2005,
 &end
#
#   97 ASP  HB+          97 ASP  HA          5.00    (#     99:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1552,1553,
 &end
#
#   33 LEU  HB+          33 LEU  HA          5.00    (#    100:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 529, 530,
 &end
#
#   33 LEU  HG           33 LEU  HA          5.00    (#    101:20  Unique         2.51, 3.31 A)
 &rst
  ixpk= 101, nxpk= 20, iat= 532, 527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 LEU  HB-          33 LEU  HA          4.00    (#    102:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 102, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 529, 530,
 &end
#
#   33 LEU  MDY          33 LEU  HA          3.00    (#    103:20  Unique         2.11, 3.86 A)
 &rst
  ixpk= 103, 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
#
#    0 AMB  20-2:104     33 LEU  HA          4.00    (#    104:20  Single Ambig)
 &rst
  ixpk= 104, nxpk= 20, iat=  -1, 527, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 557, 558, 559,1838,1839,1840,1842,1843,1844,1838,
      1839,1840,1842,1843,1844,
 &end
#
#  116 VAL  HA           33 LEU  HA          4.00    (#    105:20  Unique         2.45, 2.62 A)
 &rst
  ixpk= 105, nxpk= 20, iat=1834, 527, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  114 TYR  HA           35 HIS  HA          4.00    (#    106:20  Unique         1.86, 1.94 A)
 &rst
  ixpk= 106, nxpk= 20, iat=1792, 565, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 HIS  HB+          35 HIS  HA          4.00    (#    107:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 107, 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    (#    108:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 567, 568,
 &end
#
#  117 PHE  HE           32 THR  HB          6.00    (#    109:20  Unique         5.66, 6.53 A)
 &rst
  ixpk= 109, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1858,1862,
 &end
#
#   32 THR  HG1          32 THR  HB          4.00    (#    110:20  Unique         2.21, 2.25 A)
 &rst
  ixpk= 110, nxpk= 20, iat= 521, 515, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 THR  HN           32 THR  HB          5.00    (#    111:20  Unique         2.18, 2.31 A)
 &rst
  ixpk= 111, nxpk= 20, iat= 511, 515, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HN           32 THR  HB          5.00    (#    112:20  Unique         3.95, 4.26 A)
 &rst
  ixpk= 112, nxpk= 20, iat=1848, 515, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 GLY  HN           11 THR  HB          5.00    (#    113:20  Unique         3.77, 4.21 A)
 &rst
  ixpk= 113, nxpk= 20, iat= 196, 186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 THR  HN           11 THR  HB          5.00    (#    114:20  Unique         3.21, 3.35 A)
 &rst
  ixpk= 114, nxpk= 20, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 THR  HA           11 THR  HB          4.00    (#    115:20  Unique         2.37, 2.44 A)
 &rst
  ixpk= 115, nxpk= 20, iat= 184, 186, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  147 THR  HN          147 THR  HB          4.00    (#    117:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 117, nxpk= 20, iat=2329,2333, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 THR  HN           91 THR  HB          5.00    (#    118:20  Unique         3.51, 3.62 A)
 &rst
  ixpk= 118, nxpk= 20, iat=1448,1452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   85 ALA  HN           84 THR  HB          5.00    (#    119:20  Unique         2.29, 2.83 A)
 &rst
  ixpk= 119, nxpk= 20, iat=1365,1355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 THR  HN           84 THR  HB          5.00    (#    120:20  Unique         1.97, 2.14 A)
 &rst
  ixpk= 120, nxpk= 20, iat=1351,1355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 THR  HN           84 THR  HA          5.00    (#    124:20  Unique         2.71, 2.76 A)
 &rst
  ixpk= 124, nxpk= 20, iat=1351,1353, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 GLU  HN           84 THR  HA          5.00    (#    125:20  Unique         3.32, 3.56 A)
 &rst
  ixpk= 125, nxpk= 20, iat=1385,1353, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  140 VAL  HN          140 VAL  HA          4.00    (#    126:20  Unique         2.77, 2.84 A)
 &rst
  ixpk= 126, nxpk= 20, iat=2215,2217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  141 ASN  HN          140 VAL  HA          5.00    (#    127:20  Unique         3.51, 3.59 A)
 &rst
  ixpk= 127, nxpk= 20, iat=2231,2217, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   85 ALA  HN           84 THR  HA          6.00    (#    128:20  Unique         3.57, 3.60 A)
 &rst
  ixpk= 128, nxpk= 20, iat=1365,1353, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  143 VAL  HN          140 VAL  HA          4.00    (#    129:20  Unique         3.14, 3.27 A)
 &rst
  ixpk= 129, nxpk= 20, iat=2269,2217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   52 ASN  HN           51 VAL  HA          5.00    (#    130:20  Unique         3.57, 3.59 A)
 &rst
  ixpk= 130, nxpk= 20, iat= 834, 820, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 SER  HN           38 SER  HB+         5.00    (#    131:20  Unique         1.91, 3.21 A)
 &rst
  ixpk= 131, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 628, 629,
 &end
#
#    0 AMB  20-2:132     51 VAL  HA          4.00    (#    132:20  Single Ambig)
 &rst
  ixpk= 132, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 818, 863,
 &end
#
#   52 ASN  HN           49 PRO  HA          5.00    (#    134:20  Unique         3.15, 3.27 A)
 &rst
  ixpk= 134, nxpk= 20, iat= 834, 797, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:135     49 PRO  HA          5.00    (#    135:20  Single Ambig)
 &rst
  ixpk= 135, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 848, 818,
 &end
#
#   50 GLN  HN           49 PRO  HA          5.00    (#    136:20  Unique         3.44, 3.47 A)
 &rst
  ixpk= 136, nxpk= 20, iat= 801, 797, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 ASN  HD2+         49 PRO  HA          5.00    (#    137:20  Unique         1.88, 2.82 A)
 &rst
  ixpk= 137, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 843, 844,
 &end
#
#   81 ILE  HN           81 ILE  HA          5.00    (#    138:20  Unique         2.66, 2.70 A)
 &rst
  ixpk= 138, nxpk= 20, iat=1295,1297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  144 LEU  HN          143 VAL  HA          5.00    (#    139:20  Unique         3.45, 3.53 A)
 &rst
  ixpk= 139, nxpk= 20, iat=2285,2271, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  143 VAL  HN          143 VAL  HA          4.00    (#    140:20  Unique         2.76, 2.83 A)
 &rst
  ixpk= 140, nxpk= 20, iat=2269,2271, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   82 LYS  HN           81 ILE  HA          5.00    (#    141:20  Unique         3.56, 3.61 A)
 &rst
  ixpk= 141, nxpk= 20, iat=1314,1297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 ILE  HN           39 ILE  HA          5.00    (#    142:20  Unique         2.75, 2.83 A)
 &rst
  ixpk= 142, nxpk= 20, iat= 635, 637, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:143     39 ILE  HA          5.00    (#    143:20  Single Ambig)
 &rst
  ixpk= 143, nxpk= 20, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 654, 665,
 &end
#
#   37 TRP  HZ3          39 ILE  HA          5.00    (#    144:20  Unique         4.16, 4.59 A)
 &rst
  ixpk= 144, nxpk= 20, iat= 617, 637, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 HIS  HD2          39 ILE  HA          6.00    (#    145:20  Unique         4.66, 5.42 A)
 &rst
  ixpk= 145, nxpk= 20, iat=1413, 637, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   79 GLY  HN           78 PRO  HA          5.00    (#    147:20  Unique         3.27, 3.32 A)
 &rst
  ixpk= 147, nxpk= 20, iat=1266,1262, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 LYS  HN           78 PRO  HA          5.00    (#    148:20  Unique         3.76, 3.96 A)
 &rst
  ixpk= 148, nxpk= 20, iat=1314,1262, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 ILE  HN           78 PRO  HA          4.00    (#    149:20  Unique         3.01, 3.41 A)
 &rst
  ixpk= 149, nxpk= 20, iat=1295,1262, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 ASP  HN           96 VAL  HA          5.00    (#    150:20  Unique         2.19, 2.68 A)
 &rst
  ixpk= 150, nxpk= 20, iat=1548,1534, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 CYS  HN           44 CYS  HA          5.00    (#    152:20  Unique         2.71, 2.79 A)
 &rst
  ixpk= 152, nxpk= 20, iat= 712, 714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:153     44 CYS  HA          5.00    (#    153:20  Single Ambig)
 &rst
  ixpk= 153, nxpk= 20, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 723,1780,
 &end
#
#    0 AMB  20-2:154     44 CYS  HA          5.00    (#    154:20  Single Ambig)
 &rst
  ixpk= 154, nxpk= 20, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 760, 770,
 &end
#
#   71 ARG  HN           70 PRO  HA          4.00    (#    158:20  Unique         2.45, 2.55 A)
 &rst
  ixpk= 158, nxpk= 20, iat=1147,1143, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 SER  HN           70 PRO  HA          5.00    (#    159:20  Unique         2.84, 3.13 A)
 &rst
  ixpk= 159, nxpk= 20, iat=1171,1143, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 THR  HN           31 PRO  HA          4.00    (#    160:20  Unique         2.26, 2.34 A)
 &rst
  ixpk= 160, nxpk= 20, iat= 511, 507, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  148 GLU  HN          147 THR  HA          3.00    (#    166:20  Unique         2.41, 2.86 A)
 &rst
  ixpk= 166, nxpk= 20, iat=2343,2331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 GLN  HN           91 THR  HA          5.00    (#    168:20  Unique         3.47, 3.55 A)
 &rst
  ixpk= 168, nxpk= 20, iat=1462,1450, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ASN  HD2+         91 THR  HA          4.00    (#    169:20  Unique         1.86, 2.63 A)
 &rst
  ixpk= 169, nxpk= 20, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 302, 303,
 &end
#
#   18 ASN  HD2-         91 THR  HA          4.00    (#    170:20  Unique         1.86, 2.63 A)
 &rst
  ixpk= 170, nxpk= 20, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 302, 303,
 &end
#
#   91 THR  HN           91 THR  HA          4.00    (#    171:20  Unique         2.85, 2.91 A)
 &rst
  ixpk= 171, nxpk= 20, iat=1448,1450, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  121 GLY  HN          120 THR  HA          5.00    (#    172:20  Unique         3.20, 3.31 A)
 &rst
  ixpk= 172, nxpk= 20, iat=1916,1904, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  120 THR  HN          120 THR  HA          4.00    (#    173:20  Unique         2.86, 2.90 A)
 &rst
  ixpk= 173, nxpk= 20, iat=1902,1904, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   66 ALA  HN           65 VAL  HA          3.00    (#    174:20  Unique         2.18, 2.21 A)
 &rst
  ixpk= 174, nxpk= 20, iat=1073,1059, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   90 ILE  HN           90 ILE  HA          5.00    (#    179:20  Unique         2.34, 2.56 A)
 &rst
  ixpk= 179, nxpk= 20, iat=1429,1431, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   91 THR  HN           90 ILE  HA          4.00    (#    180:20  Unique         2.18, 2.23 A)
 &rst
  ixpk= 180, nxpk= 20, iat=1448,1431, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   92 GLN  HN           90 ILE  HA          5.00    (#    183:20  Unique         3.28, 3.53 A)
 &rst
  ixpk= 183, nxpk= 20, iat=1462,1431, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:184     90 ILE  HA          5.00    (#    184:20  Single Ambig)
 &rst
  ixpk= 184, nxpk= 20, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 302, 303, 818, 848,
 &end
#
#   28 GLY  HN           27 ILE  HA          3.00    (#    185:20  Unique         2.34, 2.52 A)
 &rst
  ixpk= 185, nxpk= 20, iat= 453, 436, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   27 ILE  HN           27 ILE  HA          4.00    (#    186:20  Unique         2.92, 2.94 A)
 &rst
  ixpk= 186, nxpk= 20, iat= 434, 436, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   45 LYS  HN           45 LYS  HA          4.00    (#    187:20  Unique         2.79, 2.82 A)
 &rst
  ixpk= 187, nxpk= 20, iat= 723, 725, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   46 GLU  HN           45 LYS  HA          5.00    (#    188:20  Unique         3.49, 3.55 A)
 &rst
  ixpk= 188, nxpk= 20, iat= 745, 725, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PHE  HN           54 PHE  HA          4.00    (#    189:20  Unique         2.73, 2.76 A)
 &rst
  ixpk= 189, nxpk= 20, iat= 863, 865, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   57 LYS  HN           54 PHE  HA          5.00    (#    190:20  Unique         3.13, 3.42 A)
 &rst
  ixpk= 190, nxpk= 20, iat= 919, 865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PHE  HE           54 PHE  HA          6.00    (#    192:20  Unique         4.80, 5.75 A)
 &rst
  ixpk= 192, nxpk= 20, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 873, 877,
 &end
#
#   85 ALA  HN           82 LYS  HA          5.00    (#    193:20  Unique         3.68, 3.90 A)
 &rst
  ixpk= 193, nxpk= 20, iat=1365,1316, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 LYS  HN           82 LYS  HA          4.00    (#    194:20  Unique         2.68, 2.74 A)
 &rst
  ixpk= 194, nxpk= 20, iat=1314,1316, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   23 ARG  HN           23 ARG  HA          4.00    (#    195:20  Unique         2.61, 2.65 A)
 &rst
  ixpk= 195, nxpk= 20, iat= 359, 361, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 LEU  HN           23 ARG  HA          4.00    (#    196:20  Unique         2.98, 3.16 A)
 &rst
  ixpk= 196, nxpk= 20, iat= 415, 361, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  140 VAL  HN          137 GLU  HA          5.00    (#    197:20  Unique         3.43, 3.82 A)
 &rst
  ixpk= 197, nxpk= 20, iat=2215,2156, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  138 LYS  HN          137 GLU  HA          5.00    (#    198:20  Unique         3.50, 3.55 A)
 &rst
  ixpk= 198, nxpk= 20, iat=2169,2156, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PHE  HD          137 GLU  HA          5.00    (#    199:20  Unique         2.04, 4.19 A)
 &rst
  ixpk= 199, nxpk= 20, iat=  -1,2156, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 871, 879,
 &end
#
#   54 PHE  HE          137 GLU  HA          4.00    (#    200:20  Unique         1.87, 4.23 A)
 &rst
  ixpk= 200, nxpk= 20, iat=  -1,2156, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 873, 877,
 &end
#
#  137 GLU  HN          137 GLU  HA          4.00    (#    201:20  Unique         2.62, 2.65 A)
 &rst
  ixpk= 201, nxpk= 20, iat=2154,2156, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 GLU  HN           24 GLU  HA          4.00    (#    202:20  Unique         2.66, 2.74 A)
 &rst
  ixpk= 202, nxpk= 20, iat= 383, 385, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 GLN  HN           24 GLU  HA          5.00    (#    203:20  Unique         3.60, 3.63 A)
 &rst
  ixpk= 203, nxpk= 20, iat= 398, 385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 ILE  HN           24 GLU  HA          5.00    (#    204:20  Unique         3.56, 3.73 A)
 &rst
  ixpk= 204, nxpk= 20, iat= 434, 385, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  141 ASN  HN          137 GLU  HA          5.00    (#    205:20  Unique         4.46, 4.72 A)
 &rst
  ixpk= 205, nxpk= 20, iat=2231,2156, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  138 LYS  HN          138 LYS  HA          4.00    (#    206:20  Unique         2.80, 2.89 A)
 &rst
  ixpk= 206, nxpk= 20, iat=2169,2171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  141 ASN  HD2+        138 LYS  HA          5.00    (#    207:20  Unique         1.88, 3.32 A)
 &rst
  ixpk= 207, nxpk= 20, iat=  -1,2171, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2240,2241,
 &end
#
#  141 ASN  HN          138 LYS  HA          4.00    (#    209:20  Unique         2.86, 3.12 A)
 &rst
  ixpk= 209, nxpk= 20, iat=2231,2171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 GLU  HN           83 GLU  HA          3.00    (#    211:20  Unique         2.73, 2.79 A)
 &rst
  ixpk= 211, nxpk= 20, iat=1336,1338, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 THR  HN           83 GLU  HA          4.00    (#    212:20  Unique         3.55, 3.62 A)
 &rst
  ixpk= 212, nxpk= 20, iat=1351,1338, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 ALA  HN           83 GLU  HA          4.00    (#    213:20  Unique         2.91, 3.25 A)
 &rst
  ixpk= 213, nxpk= 20, iat=1375,1338, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   57 LYS  HN           53 GLU  HA          5.00    (#    214:20  Unique         4.18, 4.32 A)
 &rst
  ixpk= 214, nxpk= 20, iat= 919, 850, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 THR  HN           21 VAL  HA          3.00    (#    215:20  Unique         2.24, 2.39 A)
 &rst
  ixpk= 215, nxpk= 20, iat= 345, 331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:216      0 AMB  20-1:216    3.00    (#    216:20  Double Ambig)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 848,2304,
 igr2= 850,2247,
 &end
#
#    0 AMB  20-2:217      0 AMB  20-1:217    3.00    (#    217:20  Double Ambig)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 979, 693,
 igr2= 964, 678,
 &end
#
#    0 AMB  20-2:218      0 AMB  20-1:218    4.00    (#    218:20  Double Ambig)
 &rst
  ixpk= 218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 991, 745,
 igr2= 964, 678,
 &end
#
#   58 TYR  HN           59 GLN  HA          5.00    (#    219:20  Unique         4.06, 4.19 A)
 &rst
  ixpk= 219, nxpk= 20, iat= 941, 964, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 GLN  HN           59 GLN  HA          3.00    (#    220:20  Unique         2.30, 2.72 A)
 &rst
  ixpk= 220, nxpk= 20, iat= 962, 964, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 LEU  HN           59 GLN  HA          4.00    (#    222:20  Unique         3.41, 3.75 A)
 &rst
  ixpk= 222, nxpk= 20, iat=1008, 964, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLN  HN           57 LYS  HA          5.00    (#    223:20  Unique         3.93, 4.53 A)
 &rst
  ixpk= 223, nxpk= 20, iat= 962, 921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 LYS  HN           57 LYS  HA          3.00    (#    224:20  Unique         2.75, 2.80 A)
 &rst
  ixpk= 224, nxpk= 20, iat= 919, 921, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   58 TYR  HN           57 LYS  HA          4.00    (#    225:20  Unique         3.58, 3.63 A)
 &rst
  ixpk= 225, nxpk= 20, iat= 941, 921, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   46 GLU  HN           46 GLU  HA          3.00    (#    226:20  Unique         2.65, 2.80 A)
 &rst
  ixpk= 226, nxpk= 20, iat= 745, 747, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   56 ASP  HN           57 LYS  HA          5.00    (#    227:20  Unique         4.98, 5.11 A)
 &rst
  ixpk= 227, nxpk= 20, iat= 907, 921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:230      0 AMB  20-1:230    3.00    (#    230:20  Double Ambig)
 &rst
  ixpk= 230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 801, 813, 814, 760, 770,
 igr2= 803, 747,
 &end
#
#  106 PHE  HN          106 PHE  HA          4.00    (#    232:20  Unique         2.84, 2.91 A)
 &rst
  ixpk= 232, nxpk= 20, iat=1665,1667, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:233      0 AMB  20-1:233    3.00    (#    233:20  Double Ambig)
 &rst
  ixpk= 233, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1385,1685,
 igr2=1387,1667,
 &end
#
#   88 HIS  HN           87 GLU  HA          4.00    (#    235:20  Unique         3.10, 3.46 A)
 &rst
  ixpk= 235, nxpk= 20, iat=1400,1387, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  106 PHE  HD          106 PHE  HA          5.00    (#    236:20  Unique         2.05, 3.52 A)
 &rst
  ixpk= 236, nxpk= 20, iat=  -1,1667, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1673,1681,
 &end
#
#   55 ARG  HN           55 ARG  HA          4.00    (#    237:20  Unique         2.70, 2.74 A)
 &rst
  ixpk= 237, nxpk= 20, iat= 883, 885, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 ASP  HN           55 ARG  HA          5.00    (#    238:20  Unique         3.64, 3.65 A)
 &rst
  ixpk= 238, nxpk= 20, iat= 907, 885, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:239     55 ARG  HA          5.00    (#    239:20  Single Ambig)
 &rst
  ixpk= 239, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 974, 975, 941,
 &end
#
#  119 LYS  HN          119 LYS  HA          4.00    (#    241:20  Unique         2.76, 2.79 A)
 &rst
  ixpk= 241, nxpk= 20, iat=1880,1882, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 GLY  HN          119 LYS  HA          5.00    (#    242:20  Unique         4.03, 4.29 A)
 &rst
  ixpk= 242, nxpk= 20, iat= 453,1882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  121 GLY  HN          119 LYS  HA          5.00    (#    243:20  Unique         3.26, 3.49 A)
 &rst
  ixpk= 243, nxpk= 20, iat=1916,1882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   80 LYS  HN           80 LYS  HA          3.00    (#    244:20  Unique         2.86, 2.87 A)
 &rst
  ixpk= 244, nxpk= 20, iat=1273,1275, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  113 ALA  HN          111 VAL  HA          4.00    (#    246:20  Unique         2.48, 2.94 A)
 &rst
  ixpk= 246, nxpk= 20, iat=1780,1752, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 THR  HN           80 LYS  HA          5.00    (#    247:20  Unique         3.35, 3.52 A)
 &rst
  ixpk= 247, nxpk= 20, iat=1351,1275, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 GLU  HN           80 LYS  HA          4.00    (#    248:20  Unique         3.08, 3.39 A)
 &rst
  ixpk= 248, nxpk= 20, iat=1336,1275, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  136 LEU  HN          136 LEU  HA          4.00    (#    249:20  Unique         2.70, 2.80 A)
 &rst
  ixpk= 249, nxpk= 20, iat=2135,2137, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    4 ARG  HN            4 ARG  HA          4.00    (#    251:20  Unique         2.16, 2.23 A)
 &rst
  ixpk= 251, nxpk= 20, iat=  62,  64, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    5 GLN  HN            4 ARG  HA          5.00    (#    252:20  Unique         2.89, 3.03 A)
 &rst
  ixpk= 252, nxpk= 20, iat=  86,  64, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  139 ARG  HN          136 LEU  HA          5.00    (#    253:20  Unique         2.62, 2.85 A)
 &rst
  ixpk= 253, nxpk= 20, iat=2191,2137, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  137 GLU  HN          136 LEU  HA          5.00    (#    254:20  Unique         3.52, 3.62 A)
 &rst
  ixpk= 254, nxpk= 20, iat=2154,2137, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  123 LEU  HN            4 ARG  HA          6.00    (#    255:20  Unique         3.29, 3.97 A)
 &rst
  ixpk= 255, nxpk= 20, iat=1940,  64, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:257      0 AMB  20-1:257    4.00    (#    257:20  Double Ambig)
 &rst
  ixpk= 257, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2135, 760,
 igr2=2120, 695,
 &end
#
#   44 CYS  HN           43 LEU  HA          6.00    (#    258:20  Unique         3.44, 3.52 A)
 &rst
  ixpk= 258, nxpk= 20, iat= 712, 695, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   43 LEU  HN           43 LEU  HA          5.00    (#    259:20  Unique         2.70, 2.73 A)
 &rst
  ixpk= 259, nxpk= 20, iat= 693, 695, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LYS  HN           29 GLU  HA          5.00    (#    260:20  Unique         3.36, 3.55 A)
 &rst
  ixpk= 260, nxpk= 20, iat= 475, 462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 GLU  HN           29 GLU  HA          4.00    (#    261:20  Unique         2.21, 2.71 A)
 &rst
  ixpk= 261, nxpk= 20, iat= 460, 462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 MET  HN           48 MET  HA          4.00    (#    262:20  Unique         2.65, 2.70 A)
 &rst
  ixpk= 262, nxpk= 20, iat= 770, 772, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  103 THR  HN          100 HIS  HA          5.00    (#    263:20  Unique         3.01, 3.71 A)
 &rst
  ixpk= 263, nxpk= 20, iat=1629,1585, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 ASN  HN           48 MET  HA          5.00    (#    266:20  Unique         4.33, 4.45 A)
 &rst
  ixpk= 266, nxpk= 20, iat= 834, 772, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 VAL  HN           48 MET  HA          5.00    (#    267:20  Unique         3.56, 3.65 A)
 &rst
  ixpk= 267, nxpk= 20, iat= 818, 772, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   99 ASP  HN          100 HIS  HA          5.00    (#    268:20  Unique         3.67, 4.24 A)
 &rst
  ixpk= 268, nxpk= 20, iat=1571,1585, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  144 LEU  HN          144 LEU  HA          4.00    (#    269:20  Unique         2.79, 2.83 A)
 &rst
  ixpk= 269, nxpk= 20, iat=2285,2287, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:270    144 LEU  HA          4.00    (#    270:20  Single Ambig)
 &rst
  ixpk= 270, nxpk= 20, iat=  -1,2287, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2314,2304,
 &end
#
#  102 LEU  HN          102 LEU  HA          5.00    (#    271:20  Unique         2.76, 2.80 A)
 &rst
  ixpk= 271, nxpk= 20, iat=1610,1612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:272      0 AMB  20-1:272    4.00    (#    272:20  Double Ambig)
 &rst
  ixpk= 272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2329, 148,2343,
 igr2=2316,1612,
 &end
#
#   26 LEU  HN           25 GLN  HA          4.00    (#    273:20  Unique         3.50, 3.51 A)
 &rst
  ixpk= 273, 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    (#    274:20  Unique         2.83, 2.84 A)
 &rst
  ixpk= 274, nxpk= 20, iat= 398, 400, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   27 ILE  HN           25 GLN  HA          5.00    (#    275:20  Unique         3.63, 3.99 A)
 &rst
  ixpk= 275, nxpk= 20, iat= 434, 400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 LEU  HN            9 GLU  HA          4.00    (#    276:20  Unique         2.20, 2.50 A)
 &rst
  ixpk= 276, nxpk= 20, iat= 163, 150, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  139 ARG  HN          139 ARG  HA          4.00    (#    277:20  Unique         2.63, 2.71 A)
 &rst
  ixpk= 277, nxpk= 20, iat=2191,2193, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  142 ARG  HN          139 ARG  HA          5.00    (#    278:20  Unique         3.17, 3.45 A)
 &rst
  ixpk= 278, nxpk= 20, iat=2245,2193, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:279    104 ASP  HA          4.00    (#    279:20  Single Ambig)
 &rst
  ixpk= 279, nxpk= 20, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1655,1685,
 &end
#
#  146 GLU  HN          146 GLU  HA          3.00    (#    280:20  Unique         2.84, 2.89 A)
 &rst
  ixpk= 280, nxpk= 20, iat=2314,2316, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 GLU  HN          109 GLU  HA          5.00    (#    281:20  Unique         2.74, 2.80 A)
 &rst
  ixpk= 281, nxpk= 20, iat=1714,1716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  110 TYR  HN          109 GLU  HA          4.00    (#    282:20  Unique         2.79, 2.96 A)
 &rst
  ixpk= 282, nxpk= 20, iat=1729,1716, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    4 ARG  HN            3 LEU  HA          4.00    (#    283:20  Unique         2.23, 2.49 A)
 &rst
  ixpk= 283, nxpk= 20, iat=  62,  45, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   57 LYS  HN           56 ASP  HA          5.00    (#    284:20  Unique         3.44, 3.48 A)
 &rst
  ixpk= 284, nxpk= 20, iat= 919, 909, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 TYR  HN           56 ASP  HA          5.00    (#    285:20  Unique         4.34, 4.75 A)
 &rst
  ixpk= 285, nxpk= 20, iat= 941, 909, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:286     40 SER  HA          4.00    (#    286:20  Single Ambig)
 &rst
  ixpk= 286, nxpk= 20, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 665, 654,
 &end
#
#   59 GLN  HN           56 ASP  HA          4.00    (#    287:20  Unique         3.25, 3.48 A)
 &rst
  ixpk= 287, nxpk= 20, iat= 962, 909, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3 LEU  HN            3 LEU  HA          5.00    (#    288:20  Unique         2.21, 2.43 A)
 &rst
  ixpk= 288, nxpk= 20, iat=  43,  45, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   69 MET  HN           68 HIS  HA          4.00    (#    291:20  Unique         2.19, 2.19 A)
 &rst
  ixpk= 291, nxpk= 20, iat=1116,1101, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    5 GLN  HN            3 LEU  HA          5.00    (#    292:20  Unique         2.95, 3.25 A)
 &rst
  ixpk= 292, nxpk= 20, iat=  86,  45, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  123 LEU  HN          123 LEU  HA          5.00    (#    293:20  Unique         2.71, 2.76 A)
 &rst
  ixpk= 293, nxpk= 20, iat=1940,1942, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 HIS  HN          123 LEU  HA          5.00    (#    295:20  Unique         3.60, 3.88 A)
 &rst
  ixpk= 295, nxpk= 20, iat=1983,1942, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 PHE  HN          107 GLU  HA          5.00    (#    299:20  Unique         4.01, 4.25 A)
 &rst
  ixpk= 299, nxpk= 20, iat=1665,1687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  107 GLU  HN          107 GLU  HA          3.00    (#    300:20  Unique         2.17, 2.19 A)
 &rst
  ixpk= 300, nxpk= 20, iat=1685,1687, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  124 ARG  HN          123 LEU  HA          4.00    (#    301:20  Unique         2.18, 2.21 A)
 &rst
  ixpk= 301, nxpk= 20, iat=1959,1942, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  117 PHE  HA          123 LEU  HA          4.00    (#    302:20  Unique         2.28, 2.53 A)
 &rst
  ixpk= 302, nxpk= 20, iat=1850,1942, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   61 GLN  HN           61 GLN  HA          3.00    (#    304:20  Unique         2.86, 2.91 A)
 &rst
  ixpk= 304, nxpk= 20, iat= 991, 993, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 GLN  HE2-         61 GLN  HA          5.00    (#    305:20  Unique         3.87, 5.13 A)
 &rst
  ixpk= 305, nxpk= 20, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1003,1004,
 &end
#
#  141 ASN  HN          141 ASN  HA          3.00    (#    306:20  Unique         2.73, 2.78 A)
 &rst
  ixpk= 306, nxpk= 20, iat=2231,2233, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   40 SER  HN           38 SER  HA          4.00    (#    308:20  Unique         3.42, 3.64 A)
 &rst
  ixpk= 308, nxpk= 20, iat= 654, 626, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  144 LEU  HN          141 ASN  HA          4.00    (#    309:20  Unique         3.17, 3.38 A)
 &rst
  ixpk= 309, nxpk= 20, iat=2285,2233, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  141 ASN  HD2-        141 ASN  HA          6.00    (#    310:20  Unique         1.99, 4.23 A)
 &rst
  ixpk= 310, nxpk= 20, iat=  -1,2233, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2240,2241,
 &end
#
#    5 GLN  HE2+        123 LEU  HA          6.00    (#    311:20  Unique         5.05, 6.62 A)
 &rst
  ixpk= 311, nxpk= 20, iat=  -1,1942, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  98,  99,
 &end
#
#   39 ILE  HN           38 SER  HA          4.00    (#    313:20  Unique         2.22, 2.35 A)
 &rst
  ixpk= 313, nxpk= 20, iat= 635, 626, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:315      0 AMB  20-1:315    4.00    (#    315:20  Double Ambig)
 &rst
  ixpk= 315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1417,1008,
 igr2=1402, 993,
 &end
#
#   71 ARG  HN           71 ARG  HA          4.00    (#    317:20  Unique         2.75, 2.83 A)
 &rst
  ixpk= 317, nxpk= 20, iat=1147,1149, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 SER  HN           71 ARG  HA          5.00    (#    318:20  Unique         3.28, 3.45 A)
 &rst
  ixpk= 318, nxpk= 20, iat=1171,1149, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   96 VAL  HN           95 PHE  HA          4.00    (#    319:20  Unique         2.19, 2.24 A)
 &rst
  ixpk= 319, nxpk= 20, iat=1532,1514, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 HIS  HN           88 HIS  HA          3.00    (#    320:20  Unique         2.80, 2.86 A)
 &rst
  ixpk= 320, nxpk= 20, iat=1400,1402, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   76 LEU  HN           74 ASP  HA          5.00    (#    322:20  Unique         3.68, 4.19 A)
 &rst
  ixpk= 322, nxpk= 20, iat=1221,1199, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 ASP  HN           74 ASP  HA          4.00    (#    323:20  Unique         2.64, 2.79 A)
 &rst
  ixpk= 323, nxpk= 20, iat=1197,1199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 ASP  HN           74 ASP  HA          4.00    (#    324:20  Unique         3.58, 3.62 A)
 &rst
  ixpk= 324, nxpk= 20, iat=1209,1199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  104 ASP  HN          101 ALA  HA          4.00    (#    325:20  Unique         3.31, 3.69 A)
 &rst
  ixpk= 325, nxpk= 20, iat=1643,1602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 ALA  HN           85 ALA  HA          5.00    (#    326:20  Unique         2.73, 2.84 A)
 &rst
  ixpk= 326, nxpk= 20, iat=1365,1367, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   86 ALA  HN           85 ALA  HA          5.00    (#    327:20  Unique         3.47, 3.57 A)
 &rst
  ixpk= 327, nxpk= 20, iat=1375,1367, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 HIS  HN           85 ALA  HA          5.00    (#    328:20  Unique         2.71, 3.05 A)
 &rst
  ixpk= 328, nxpk= 20, iat=1400,1367, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  102 LEU  HN          101 ALA  HA          5.00    (#    329:20  Unique         3.49, 3.57 A)
 &rst
  ixpk= 329, nxpk= 20, iat=1610,1602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    2 LYS  HN            1 MET  HA          3.00    (#    330:20  Unique         2.20, 2.46 A)
 &rst
  ixpk= 330, nxpk= 20, iat=  21,   6, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   90 ILE  HN           85 ALA  HA          5.00    (#    331:20  Unique         3.66, 4.36 A)
 &rst
  ixpk= 331, nxpk= 20, iat=1429,1367, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 ASP  HN           89 ASP  HA          3.00    (#    333:20  Unique         2.22, 2.24 A)
 &rst
  ixpk= 333, nxpk= 20, iat=1417,1419, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   14 LYS  HN           14 LYS  HA          4.00    (#    336:20  Unique         2.21, 2.74 A)
 &rst
  ixpk= 336, nxpk= 20, iat= 218, 220, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:337     14 LYS  HA          5.00    (#    337:20  Single Ambig)
 &rst
  ixpk= 337, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 240,1560,
 &end
#
#   90 ILE  HN           89 ASP  HA          4.00    (#    338:20  Unique         3.02, 3.49 A)
 &rst
  ixpk= 338, nxpk= 20, iat=1429,1419, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   63 ASN  HD2+         26 LEU  HA          4.00    (#    339:20  Unique         4.04, 4.47 A)
 &rst
  ixpk= 339, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1036,1037,
 &end
#
#   27 ILE  HN           26 LEU  HA          4.00    (#    340:20  Unique         3.52, 3.56 A)
 &rst
  ixpk= 340, nxpk= 20, iat= 434, 417, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:342      0 AMB  20-1:342    3.00    (#    342:20  Double Ambig)
 &rst
  ixpk= 342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1655,1729,1685,
 igr2=1657,1702,
 &end
#
#   19 GLY  HN           18 ASN  HA          4.00    (#    344:20  Unique         2.82, 3.41 A)
 &rst
  ixpk= 344, nxpk= 20, iat= 307, 295, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN  HD2+         18 ASN  HA          4.00    (#    345:20  Unique         2.98, 4.04 A)
 &rst
  ixpk= 345, nxpk= 20, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 302, 303,
 &end
#
#  109 GLU  HN          108 ASN  HA          4.00    (#    346:20  Unique         2.26, 2.33 A)
 &rst
  ixpk= 346, nxpk= 20, iat=1714,1702, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN  HN           18 ASN  HA          3.00    (#    347:20  Unique         2.17, 2.20 A)
 &rst
  ixpk= 347, nxpk= 20, iat= 293, 295, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   52 ASN  HN           52 ASN  HA          4.00    (#    349:20  Unique         2.76, 2.79 A)
 &rst
  ixpk= 349, nxpk= 20, iat= 834, 836, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 GLU  HN           20 GLU  HA          4.00    (#    350:20  Unique         2.18, 2.67 A)
 &rst
  ixpk= 350, nxpk= 20, iat= 314, 316, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    2 LYS  HN            2 LYS  HA          3.00    (#    352:20  Unique         2.82, 2.88 A)
 &rst
  ixpk= 352, nxpk= 20, iat=  21,  23, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    5 GLN  HN            5 GLN  HA          4.00    (#    353:20  Unique         2.78, 2.90 A)
 &rst
  ixpk= 353, nxpk= 20, iat=  86,  88, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3 LEU  HN            2 LYS  HA          3.00    (#    355:20  Unique         2.18, 2.58 A)
 &rst
  ixpk= 355, nxpk= 20, iat=  43,  23, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    7 MET  HN            7 MET  HA          5.00    (#    356:20  Unique         2.18, 2.32 A)
 &rst
  ixpk= 356, nxpk= 20, iat= 117, 119, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  128 ALA  HN          127 GLN  HA          3.00    (#    358:20  Unique         2.23, 2.28 A)
 &rst
  ixpk= 358, nxpk= 20, iat=2037,2022, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  127 GLN  HN          127 GLN  HA          4.00    (#    359:20  Unique         2.88, 2.91 A)
 &rst
  ixpk= 359, nxpk= 20, iat=2020,2022, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   10 LEU  HN           10 LEU  HA          4.00    (#    362:20  Unique         2.21, 2.82 A)
 &rst
  ixpk= 362, nxpk= 20, iat= 163, 165, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 THR  HN           10 LEU  HA          4.00    (#    363:20  Unique         2.20, 2.34 A)
 &rst
  ixpk= 363, nxpk= 20, iat= 182, 165, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:364    145 ALA  HA          3.00    (#    364:20  Single Ambig)
 &rst
  ixpk= 364, nxpk= 20, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2304,2314,
 &end
#
#    0 AMB  20-2:367     47 ALA  HA          3.00    (#    367:20  Single Ambig)
 &rst
  ixpk= 367, nxpk= 20, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 760, 770,
 &end
#
#   15 ALA  HN           15 ALA  HA          4.00    (#    370:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 370, nxpk= 20, iat= 240, 242, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16 TRP  HN           15 ALA  HA          3.00    (#    371:20  Unique         2.22, 2.32 A)
 &rst
  ixpk= 371, nxpk= 20, iat= 250, 242, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   79 GLY  HN           78 PRO  HD+         5.00    (#    373:20  Unique         2.33, 3.14 A)
 &rst
  ixpk= 373, nxpk= 20, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1253,1254,
 &end
#
#   79 GLY  HN           78 PRO  HD-         5.00    (#    374:20  Unique         2.33, 3.14 A)
 &rst
  ixpk= 374, nxpk= 20, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1253,1254,
 &end
#
#    7 MET  HN            6 PRO  HD+         5.00    (#    375:20  Unique         4.23, 5.33 A)
 &rst
  ixpk= 375, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 104, 105,
 &end
#
#    5 GLN  HN            6 PRO  HD-         6.00    (#    377:20  Unique         2.48, 3.88 A)
 &rst
  ixpk= 377, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 104, 105,
 &end
#
#    0 AMB  20-2:378      0 AMB  20-1:378    4.00    (#    378:20  Double Ambig)
 &rst
  ixpk= 378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 801, 770,
 igr2= 788, 789, 788, 789,
 &end
#
#    0 AMB  20-2:379     49 PRO  HD-         4.00    (#    379:20  Single Ambig)
 &rst
  ixpk= 379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 801, 770,
 igr2= 788, 789,
 &end
#
#   35 HIS  HN           66 ALA  HA          4.00    (#    381:20  Unique         2.43, 2.73 A)
 &rst
  ixpk= 381, nxpk= 20, iat= 563,1075, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 VAL  HN           66 ALA  HA          3.00    (#    382:20  Unique         2.22, 2.37 A)
 &rst
  ixpk= 382, nxpk= 20, iat=1083,1075, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:383     66 ALA  HA          5.00    (#    383:20  Single Ambig)
 &rst
  ixpk= 383, nxpk= 20, iat=  -1,1075, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 546, 582,
 &end
#
#   62 LEU  HN           62 LEU  HB-         4.00    (#    384:20  Unique         2.82, 3.44 A)
 &rst
  ixpk= 384, nxpk= 20, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1012,1013,
 &end
#
#   62 LEU  HN           62 LEU  HB+         5.00    (#    385:20  Unique         2.82, 3.44 A)
 &rst
  ixpk= 385, nxpk= 20, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1012,1013,
 &end
#
#   79 GLY  HN           79 GLY  HA-         4.00    (#    386:20  Unique         2.25, 2.56 A)
 &rst
  ixpk= 386, nxpk= 20, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1268,1269,
 &end
#
#   80 LYS  HN           79 GLY  HA-         4.00    (#    387:20  Unique         2.87, 3.29 A)
 &rst
  ixpk= 387, nxpk= 20, iat=1273,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1268,1269,
 &end
#
#   79 GLY  HN           79 GLY  HA+         4.00    (#    388:20  Unique         2.25, 2.56 A)
 &rst
  ixpk= 388, nxpk= 20, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1268,1269,
 &end
#
#   80 LYS  HN           79 GLY  HA+         4.00    (#    389:20  Unique         2.87, 3.29 A)
 &rst
  ixpk= 389, nxpk= 20, iat=1273,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1268,1269,
 &end
#
#  122 GLN  HN          121 GLY  HA+         5.00    (#    392:20  Unique         2.70, 3.28 A)
 &rst
  ixpk= 392, nxpk= 20, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1918,1919,
 &end
#
#  121 GLY  HN          121 GLY  HA-         4.00    (#    393:20  Unique         2.25, 2.57 A)
 &rst
  ixpk= 393, nxpk= 20, iat=1916,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1918,1919,
 &end
#
#  122 GLN  HN          121 GLY  HA-         5.00    (#    394:20  Unique         2.70, 3.28 A)
 &rst
  ixpk= 394, nxpk= 20, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1918,1919,
 &end
#
#   28 GLY  HN           28 GLY  HA+         3.00    (#    395:20  Unique         2.59, 2.79 A)
 &rst
  ixpk= 395, nxpk= 20, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 455, 456,
 &end
#
#  121 GLY  HN          121 GLY  HA+         4.00    (#    396:20  Unique         2.25, 2.57 A)
 &rst
  ixpk= 396, nxpk= 20, iat=1916,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1918,1919,
 &end
#
#   33 LEU  HA           33 LEU  HB+         5.00    (#    401:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 401, nxpk= 20, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 529, 530,
 &end
#
#   33 LEU  HN           33 LEU  HB-         5.00    (#    402:20  Unique         2.53, 3.00 A)
 &rst
  ixpk= 402, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 529, 530,
 &end
#
#   12 GLY  HN           12 GLY  HA-         4.00    (#    403:20  Unique         2.25, 2.67 A)
 &rst
  ixpk= 403, 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    (#    404:20  Unique         2.25, 2.67 A)
 &rst
  ixpk= 404, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 198, 199,
 &end
#
#   33 LEU  HN           33 LEU  HB+         5.00    (#    405:20  Unique         2.53, 3.00 A)
 &rst
  ixpk= 405, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 529, 530,
 &end
#
#   33 LEU  HA           33 LEU  HB-         5.00    (#    406:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 406, nxpk= 20, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 529, 530,
 &end
#
#   19 GLY  HN           19 GLY  HA-         4.00    (#    408:20  Unique         2.36, 2.75 A)
 &rst
  ixpk= 408, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 309, 310,
 &end
#
#   19 GLY  HN           19 GLY  HA+         4.00    (#    409:20  Unique         2.36, 2.75 A)
 &rst
  ixpk= 409, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 309, 310,
 &end
#
#  129 GLY  HN          129 GLY  HA+         4.00    (#    410:20  Unique         2.28, 2.62 A)
 &rst
  ixpk= 410, nxpk= 20, iat=2047,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2049,2050,
 &end
#
#   20 GLU  HN           19 GLY  HA-         4.00    (#    411:20  Unique         2.21, 2.72 A)
 &rst
  ixpk= 411, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 309, 310,
 &end
#
#  129 GLY  HN          129 GLY  HA-         4.00    (#    412:20  Unique         2.28, 2.62 A)
 &rst
  ixpk= 412, nxpk= 20, iat=2047,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2049,2050,
 &end
#
#   20 GLU  HN           19 GLY  HA+         3.00    (#    413:20  Unique         2.21, 2.72 A)
 &rst
  ixpk= 413, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 309, 310,
 &end
#
#    0 AMB  20-2:420      0 AMB  20-1:420    5.00    (#    420:20  Double Ambig)
 &rst
  ixpk= 420, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2245, 415,
 igr2=2255,2256, 369, 370,
 &end
#
#  143 VAL  HN          142 ARG  HD+         5.00    (#    421:20  Unique         3.36, 4.58 A)
 &rst
  ixpk= 421, nxpk= 20, iat=2269,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2255,2256,
 &end
#
#  126 PHE  HN          126 PHE  HB-         4.00    (#    422:20  Unique         2.49, 3.14 A)
 &rst
  ixpk= 422, nxpk= 20, iat=2000,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2004,2005,
 &end
#
#  115 TYR  HE          126 PHE  HB-         5.00    (#    423:20  Unique         3.17, 4.58 A)
 &rst
  ixpk= 423, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1821,1826,
 igr2=2004,2005,
 &end
#
#  125 HIS  HD2         126 PHE  HB-         5.00    (#    424:20  Unique         4.54, 5.11 A)
 &rst
  ixpk= 424, nxpk= 20, iat=1996,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2004,2005,
 &end
#
#  126 PHE  HA          126 PHE  HB-         4.00    (#    425:20  Unique         2.32, 2.65 A)
 &rst
  ixpk= 425, nxpk= 20, iat=2002,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2004,2005,
 &end
#
#    0 AMB  20-2:426    126 PHE  HB-         5.00    (#    426:20  Single Ambig)
 &rst
  ixpk= 426, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2020,  98,  99,
 igr2=2004,2005,
 &end
#
#  126 PHE  HN          126 PHE  HB+         4.00    (#    427:20  Unique         2.49, 3.14 A)
 &rst
  ixpk= 427, nxpk= 20, iat=2000,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2004,2005,
 &end
#
#  115 TYR  HE          126 PHE  HB+         4.00    (#    428:20  Unique         3.17, 4.58 A)
 &rst
  ixpk= 428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1821,1826,
 igr2=2004,2005,
 &end
#
#  125 HIS  HD2         126 PHE  HB+         5.00    (#    429:20  Unique         4.54, 5.11 A)
 &rst
  ixpk= 429, nxpk= 20, iat=1996,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2004,2005,
 &end
#
#  126 PHE  HA          126 PHE  HB+         4.00    (#    430:20  Unique         2.32, 2.65 A)
 &rst
  ixpk= 430, nxpk= 20, iat=2002,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2004,2005,
 &end
#
#  115 TYR  HA          126 PHE  HB-         6.00    (#    431:20  Unique         2.24, 3.38 A)
 &rst
  ixpk= 431, nxpk= 20, iat=1813,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2004,2005,
 &end
#
#    0 AMB  20-2:432      0 AMB  20-1:432    5.00    (#    432:20  Double Ambig)
 &rst
  ixpk= 432, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2020,  98,  99,
 igr2=2004,2005,2004,2005,
 &end
#
#   76 LEU  HN           76 LEU  HB+         4.00    (#    433:20  Unique         1.99, 2.70 A)
 &rst
  ixpk= 433, nxpk= 20, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1225,1226,
 &end
#
#   76 LEU  HN           76 LEU  HB-         5.00    (#    434:20  Unique         1.99, 2.70 A)
 &rst
  ixpk= 434, nxpk= 20, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1225,1226,
 &end
#
#    4 ARG  HN            4 ARG  HD-         5.00    (#    435:20  Unique         4.32, 5.10 A)
 &rst
  ixpk= 435, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  72,  73,
 &end
#
#   75 ASP  HN           75 ASP  HB+         5.00    (#    437:20  Unique         2.04, 3.06 A)
 &rst
  ixpk= 437, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1213,1214,
 &end
#
#   75 ASP  HN           75 ASP  HB-         5.00    (#    438:20  Unique         2.04, 3.06 A)
 &rst
  ixpk= 438, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1213,1214,
 &end
#
#   77 ASP  HN           77 ASP  HB+         4.00    (#    440:20  Unique         2.01, 2.65 A)
 &rst
  ixpk= 440, nxpk= 20, iat=1240,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1244,1245,
 &end
#
#   77 ASP  HN           77 ASP  HB-         4.00    (#    441:20  Unique         2.01, 2.65 A)
 &rst
  ixpk= 441, nxpk= 20, iat=1240,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1244,1245,
 &end
#
#  102 LEU  HN          102 LEU  HB-         5.00    (#    444:20  Unique         1.99, 2.91 A)
 &rst
  ixpk= 444, nxpk= 20, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1614,1615,
 &end
#
#   71 ARG  HN           75 ASP  HB+         6.00    (#    445:20  Unique         2.69, 3.55 A)
 &rst
  ixpk= 445, nxpk= 20, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1213,1214,
 &end
#
#    0 AMB  20-2:446      0 AMB  20-1:446    4.00    (#    446:20  Double Ambig)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 991,1197,
 igr2= 488, 489,1286,1287,
 &end
#
#   41 CYS  HN           45 LYS  HE+         6.00    (#    447:20  Unique         2.12, 2.99 A)
 &rst
  ixpk= 447, nxpk= 20, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 736, 737,
 &end
#
#   71 ARG  HN           75 ASP  HB-         6.00    (#    448:20  Unique         2.69, 3.55 A)
 &rst
  ixpk= 448, nxpk= 20, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1213,1214,
 &end
#
#   72 SER  HN           75 ASP  HB-         5.00    (#    449:20  Unique         2.18, 3.54 A)
 &rst
  ixpk= 449, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1213,1214,
 &end
#
#   63 ASN  HD2+        117 PHE  HB+         6.00    (#    450:20  Unique         5.19, 7.78 A)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1036,1037,
 igr2=1852,1853,
 &end
#
#  102 LEU  HN          102 LEU  HB+         5.00    (#    451:20  Unique         1.99, 2.91 A)
 &rst
  ixpk= 451, nxpk= 20, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1614,1615,
 &end
#
#    0 AMB  20-2:452    117 PHE  HB-         6.00    (#    452:20  Single Ambig)
 &rst
  ixpk= 452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1868,1916, 117,
 igr2=1852,1853,
 &end
#
#    0 AMB  20-2:453      0 AMB  20-1:453    5.00    (#    453:20  Double Ambig)
 &rst
  ixpk= 453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1273, 863,
 igr2=1286,1287, 932, 933,
 &end
#
#    0 AMB  20-2:454      0 AMB  20-1:454    6.00    (#    454:20  Double Ambig)
 &rst
  ixpk= 454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1560, 240,
 igr2= 231, 232, 231, 232,
 &end
#
#    0 AMB  20-2:455      0 AMB  20-1:455    5.00    (#    455:20  Double Ambig)
 &rst
  ixpk= 455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1868,1916, 117,
 igr2=1852,1853,1852,1853,1852,1853,
 &end
#
#   43 LEU  HN           43 LEU  HB+         5.00    (#    459:20  Unique         2.35, 3.03 A)
 &rst
  ixpk= 459, nxpk= 20, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 697, 698,
 &end
#
#  120 THR  HN          119 LYS  HE+         4.00    (#    460:20  Unique         3.26, 4.37 A)
 &rst
  ixpk= 460, nxpk= 20, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1893,1894,
 &end
#
#  119 LYS  HN          119 LYS  HE+         5.00    (#    461:20  Unique         4.27, 5.28 A)
 &rst
  ixpk= 461, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1893,1894,
 &end
#
#  138 LYS  HN            0 AMB  20-1:462    5.00    (#    462:20  Single Ambig)
 &rst
  ixpk= 462, nxpk= 20, iat=2169,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2182,2183,2109,2110,2201,2202,
 &end
#
#  117 PHE  HD          117 PHE  HB+         4.00    (#    463:20  Unique         2.32, 3.05 A)
 &rst
  ixpk= 463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1856,1864,
 igr2=1852,1853,
 &end
#
#  144 LEU  HN          144 LEU  HB+         4.00    (#    466:20  Unique         2.36, 3.02 A)
 &rst
  ixpk= 466, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2289,2290,
 &end
#
#  145 ALA  HN          144 LEU  HB+         4.00    (#    467:20  Unique         2.59, 3.31 A)
 &rst
  ixpk= 467, nxpk= 20, iat=2304,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2289,2290,
 &end
#
#   26 LEU  HN           26 LEU  HB+         5.00    (#    468:20  Unique         1.99, 2.66 A)
 &rst
  ixpk= 468, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 419, 420,
 &end
#
#  145 ALA  HN          144 LEU  HB-         5.00    (#    469:20  Unique         2.59, 3.31 A)
 &rst
  ixpk= 469, nxpk= 20, iat=2304,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2289,2290,
 &end
#
#  144 LEU  HN          144 LEU  HB-         4.00    (#    470:20  Unique         2.36, 3.02 A)
 &rst
  ixpk= 470, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2289,2290,
 &end
#
#  126 PHE  HE          110 TYR  HB-         4.00    (#    472:20  Unique         3.74, 5.29 A)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2010,2014,
 igr2=1733,1734,
 &end
#
#    0 AMB  20-2:473      0 AMB  20-1:473    5.00    (#    473:20  Double Ambig)
 &rst
  ixpk= 473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1868,1916,
 igr2=1872,1873,1872,1873,
 &end
#
#  126 PHE  HE          110 TYR  HB+         4.00    (#    474:20  Unique         3.74, 5.29 A)
 &rst
  ixpk= 474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2010,2014,
 igr2=1733,1734,
 &end
#
#   43 LEU  HN           43 LEU  HB-         5.00    (#    476:20  Unique         2.35, 3.03 A)
 &rst
  ixpk= 476, nxpk= 20, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 697, 698,
 &end
#
#  119 LYS  HN          118 ASP  HB-         4.00    (#    477:20  Unique         2.14, 3.27 A)
 &rst
  ixpk= 477, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1872,1873,
 &end
#
#  111 VAL  HN          110 TYR  HB-         4.00    (#    478:20  Unique         1.62, 2.83 A)
 &rst
  ixpk= 478, nxpk= 20, iat=1750,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1733,1734,
 &end
#
#  110 TYR  HN          110 TYR  HB-         5.00    (#    479:20  Unique         3.01, 3.38 A)
 &rst
  ixpk= 479, nxpk= 20, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1733,1734,
 &end
#
#  139 ARG  HN          139 ARG  HD-         5.00    (#    480:20  Unique         2.61, 4.58 A)
 &rst
  ixpk= 480, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2201,2202,
 &end
#
#  119 LYS  HN          118 ASP  HB+         5.00    (#    481:20  Unique         2.14, 3.27 A)
 &rst
  ixpk= 481, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1872,1873,
 &end
#
#  110 TYR  HN          110 TYR  HB+         4.00    (#    482:20  Unique         3.01, 3.38 A)
 &rst
  ixpk= 482, nxpk= 20, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1733,1734,
 &end
#
#  111 VAL  HN          110 TYR  HB+         4.00    (#    484:20  Unique         1.62, 2.83 A)
 &rst
  ixpk= 484, nxpk= 20, iat=1750,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1733,1734,
 &end
#
#    4 ARG  HN            3 LEU  HB+         5.00    (#    486:20  Unique         2.39, 3.19 A)
 &rst
  ixpk= 486, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  47,  48,
 &end
#
#    3 LEU  HN            3 LEU  HB+         4.00    (#    487:20  Unique         2.60, 3.59 A)
 &rst
  ixpk= 487, 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-         5.00    (#    488:20  Unique         2.39, 3.19 A)
 &rst
  ixpk= 488, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  47,  48,
 &end
#
#    3 LEU  HN            3 LEU  HB-         4.00    (#    489:20  Unique         2.60, 3.59 A)
 &rst
  ixpk= 489, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  47,  48,
 &end
#
#  115 TYR  HN          115 TYR  HB-         6.00    (#    490:20  Unique         2.18, 2.88 A)
 &rst
  ixpk= 490, nxpk= 20, iat=1811,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1815,1816,
 &end
#
#  115 TYR  HD          115 TYR  HB-         4.00    (#    494:20  Unique         2.31, 3.08 A)
 &rst
  ixpk= 494, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1819,1828,
 igr2=1815,1816,
 &end
#
#   99 ASP  HN           99 ASP  HB-         5.00    (#    496:20  Unique         2.04, 2.93 A)
 &rst
  ixpk= 496, nxpk= 20, iat=1571,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1575,1576,
 &end
#
#   74 ASP  HN           74 ASP  HB+         4.00    (#    497:20  Unique         2.03, 2.89 A)
 &rst
  ixpk= 497, nxpk= 20, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1201,1202,
 &end
#
#   74 ASP  HN           74 ASP  HB-         4.00    (#    499:20  Unique         2.03, 2.89 A)
 &rst
  ixpk= 499, nxpk= 20, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1201,1202,
 &end
#
#  108 ASN  HD2-        108 ASN  HB+         6.00    (#    500:20  Unique         2.11, 3.35 A)
 &rst
  ixpk= 500, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1709,1710,
 igr2=1704,1705,
 &end
#
#  123 LEU  HN          123 LEU  HB-         5.00    (#    501:20  Unique         2.13, 2.45 A)
 &rst
  ixpk= 501, nxpk= 20, iat=1940,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1944,1945,
 &end
#
#   60 ASP  HN            0 AMB  20-1:502    4.00    (#    502:20  Single Ambig)
 &rst
  ixpk= 502, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 983, 984, 983, 984,
 &end
#
#   61 GLN  HN            0 AMB  20-1:503    4.00    (#    503:20  Single Ambig)
 &rst
  ixpk= 503, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 983, 984, 983, 984,
 &end
#
#   75 ASP  HN           74 ASP  HB+         5.00    (#    504:20  Unique         2.20, 2.99 A)
 &rst
  ixpk= 504, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1201,1202,
 &end
#
#   75 ASP  HN           74 ASP  HB-         5.00    (#    505:20  Unique         2.20, 2.99 A)
 &rst
  ixpk= 505, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1201,1202,
 &end
#
#  108 ASN  HN          108 ASN  HB+         5.00    (#    506:20  Unique         2.03, 2.67 A)
 &rst
  ixpk= 506, nxpk= 20, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1704,1705,
 &end
#
#  108 ASN  HN          108 ASN  HB-         5.00    (#    508:20  Unique         2.03, 2.67 A)
 &rst
  ixpk= 508, nxpk= 20, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1704,1705,
 &end
#
#  123 LEU  HN          123 LEU  HB+         6.00    (#    510:20  Unique         2.13, 2.45 A)
 &rst
  ixpk= 510, nxpk= 20, iat=1940,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1944,1945,
 &end
#
#  136 LEU  HN          136 LEU  HB+         5.00    (#    511:20  Unique         2.10, 2.50 A)
 &rst
  ixpk= 511, nxpk= 20, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2139,2140,
 &end
#
#   63 ASN  HD2-         63 ASN  HB-         5.00    (#    512:20  Unique         2.11, 3.27 A)
 &rst
  ixpk= 512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1036,1037,
 igr2=1031,1032,
 &end
#
#  136 LEU  HN          136 LEU  HB-         5.00    (#    513:20  Unique         2.10, 2.50 A)
 &rst
  ixpk= 513, nxpk= 20, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2139,2140,
 &end
#
#   63 ASN  HN           63 ASN  HB-         5.00    (#    514:20  Unique         2.31, 3.05 A)
 &rst
  ixpk= 514, nxpk= 20, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1031,1032,
 &end
#
#   32 THR  HA           63 ASN  HB-         5.00    (#    515:20  Unique         2.08, 3.23 A)
 &rst
  ixpk= 515, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1031,1032,
 &end
#
#   63 ASN  HA           63 ASN  HB-         5.00    (#    516:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 516, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1031,1032,
 &end
#
#   63 ASN  HD2-         63 ASN  HB+         5.00    (#    517:20  Unique         2.11, 3.27 A)
 &rst
  ixpk= 517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1036,1037,
 igr2=1031,1032,
 &end
#
#   32 THR  HA           63 ASN  HB+         5.00    (#    518:20  Unique         2.08, 3.23 A)
 &rst
  ixpk= 518, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1031,1032,
 &end
#
#   63 ASN  HA           63 ASN  HB+         4.00    (#    519:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 519, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1031,1032,
 &end
#
#   32 THR  HA           63 ASN  HB+         5.00    (#    521:20  Unique         2.08, 3.23 A)
 &rst
  ixpk= 521, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1031,1032,
 &end
#
#   64 VAL  HN           63 ASN  HB+         5.00    (#    522:20  Unique         3.04, 3.82 A)
 &rst
  ixpk= 522, nxpk= 20, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1031,1032,
 &end
#
#   63 ASN  HN           63 ASN  HB+         5.00    (#    523:20  Unique         2.31, 3.05 A)
 &rst
  ixpk= 523, nxpk= 20, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1031,1032,
 &end
#
#   63 ASN  HD2+         63 ASN  HB+         6.00    (#    524:20  Unique         2.11, 3.27 A)
 &rst
  ixpk= 524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1036,1037,
 igr2=1031,1032,
 &end
#
#  106 PHE  HN          106 PHE  HB-         5.00    (#    525:20  Unique         2.11, 2.74 A)
 &rst
  ixpk= 525, nxpk= 20, iat=1665,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1669,1670,
 &end
#
#   57 LYS  HN           56 ASP  HB+         4.00    (#    527:20  Unique         2.84, 3.56 A)
 &rst
  ixpk= 527, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 911, 912,
 &end
#
#   56 ASP  HN           56 ASP  HB+         3.00    (#    528:20  Unique         2.06, 2.52 A)
 &rst
  ixpk= 528, nxpk= 20, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 911, 912,
 &end
#
#   28 GLY  HN           27 ILE  HB          4.00    (#    530:20  Unique         2.16, 2.63 A)
 &rst
  ixpk= 530, nxpk= 20, iat= 453, 438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 ILE  HN           27 ILE  HB          4.00    (#    531:20  Unique         2.39, 3.33 A)
 &rst
  ixpk= 531, nxpk= 20, iat= 434, 438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 ASP  HN           89 ASP  HB-         4.00    (#    532:20  Unique         3.32, 3.75 A)
 &rst
  ixpk= 532, nxpk= 20, iat=1417,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1421,1422,
 &end
#
#   52 ASN  HD2+         89 ASP  HB-         4.00    (#    533:20  Unique         3.06, 4.89 A)
 &rst
  ixpk= 533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 843, 844,
 igr2=1421,1422,
 &end
#
#   90 ILE  HN           89 ASP  HB+         5.00    (#    534:20  Unique         2.45, 3.43 A)
 &rst
  ixpk= 534, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1421,1422,
 &end
#
#   89 ASP  HN           89 ASP  HB+         4.00    (#    535:20  Unique         3.32, 3.75 A)
 &rst
  ixpk= 535, nxpk= 20, iat=1417,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1421,1422,
 &end
#
#   52 ASN  HD2-         89 ASP  HB+         5.00    (#    536:20  Unique         3.06, 4.89 A)
 &rst
  ixpk= 536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 843, 844,
 igr2=1421,1422,
 &end
#
#   34 ILE  HN           34 ILE  HB          4.00    (#    537:20  Unique         2.48, 2.61 A)
 &rst
  ixpk= 537, nxpk= 20, iat= 544, 548, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 ILE  HA           34 ILE  HB          5.00    (#    538:20  Unique         3.00, 3.02 A)
 &rst
  ixpk= 538, nxpk= 20, iat= 546, 548, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   52 ASN  HD2-         89 ASP  HB-         5.00    (#    539:20  Unique         3.06, 4.89 A)
 &rst
  ixpk= 539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 843, 844,
 igr2=1421,1422,
 &end
#
#  104 ASP  HN          104 ASP  HB-         4.00    (#    540:20  Unique         2.18, 2.80 A)
 &rst
  ixpk= 540, nxpk= 20, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1647,1648,
 &end
#
#  105 ALA  HN          104 ASP  HB-         4.00    (#    541:20  Unique         2.66, 3.48 A)
 &rst
  ixpk= 541, nxpk= 20, iat=1655,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1647,1648,
 &end
#
#  104 ASP  HN          104 ASP  HB+         4.00    (#    542:20  Unique         2.18, 2.80 A)
 &rst
  ixpk= 542, nxpk= 20, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1647,1648,
 &end
#
#  105 ALA  HN          104 ASP  HB+         4.00    (#    543:20  Unique         2.66, 3.48 A)
 &rst
  ixpk= 543, nxpk= 20, iat=1655,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1647,1648,
 &end
#
#   52 ASN  HD2+         89 ASP  HB+         5.00    (#    544:20  Unique         3.06, 4.89 A)
 &rst
  ixpk= 544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 843, 844,
 igr2=1421,1422,
 &end
#
#  115 TYR  HD           34 ILE  HB          5.00    (#    545:20  Unique         3.15, 4.93 A)
 &rst
  ixpk= 545, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1819,1828,
 &end
#
#  117 PHE  HD           34 ILE  HB          6.00    (#    546:20  Unique         3.85, 5.56 A)
 &rst
  ixpk= 546, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1856,1864,
 &end
#
#   39 ILE  HN           39 ILE  HB          5.00    (#    547:20  Unique         3.50, 3.56 A)
 &rst
  ixpk= 547, nxpk= 20, iat= 635, 639, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 ARG  HN           54 PHE  HB-         5.00    (#    553:20  Unique         2.45, 3.36 A)
 &rst
  ixpk= 553, nxpk= 20, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 867, 868,
 &end
#
#   54 PHE  HN           54 PHE  HB-         4.00    (#    555:20  Unique         1.90, 2.39 A)
 &rst
  ixpk= 555, nxpk= 20, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 867, 868,
 &end
#
#    0 AMB  20-2:556     54 PHE  HB-         6.00    (#    556:20  Single Ambig)
 &rst
  ixpk= 556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 813, 814, 873, 877,
 igr2= 867, 868,
 &end
#
#   55 ARG  HN           54 PHE  HB+         5.00    (#    557:20  Unique         2.45, 3.36 A)
 &rst
  ixpk= 557, nxpk= 20, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 867, 868,
 &end
#
#   54 PHE  HN           54 PHE  HB+         3.00    (#    558:20  Unique         1.90, 2.39 A)
 &rst
  ixpk= 558, nxpk= 20, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 867, 868,
 &end
#
#  141 ASN  HN          141 ASN  HB-         4.00    (#    560:20  Unique         2.13, 3.02 A)
 &rst
  ixpk= 560, nxpk= 20, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2235,2236,
 &end
#
#  141 ASN  HD2+        141 ASN  HB-         5.00    (#    561:20  Unique         2.11, 3.20 A)
 &rst
  ixpk= 561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2240,2241,
 igr2=2235,2236,
 &end
#
#  141 ASN  HD2-        141 ASN  HB-         5.00    (#    562:20  Unique         2.11, 3.20 A)
 &rst
  ixpk= 562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2240,2241,
 igr2=2235,2236,
 &end
#
#  141 ASN  HN          141 ASN  HB+         4.00    (#    563:20  Unique         2.13, 3.02 A)
 &rst
  ixpk= 563, nxpk= 20, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2235,2236,
 &end
#
#  141 ASN  HD2+        141 ASN  HB+         5.00    (#    564:20  Unique         2.11, 3.20 A)
 &rst
  ixpk= 564, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2240,2241,
 igr2=2235,2236,
 &end
#
#   58 TYR  HN           58 TYR  HB+         5.00    (#    565:20  Unique         2.19, 3.24 A)
 &rst
  ixpk= 565, nxpk= 20, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 945, 946,
 &end
#
#   61 GLN  HE2-         58 TYR  HB-         5.00    (#    566:20  Unique         2.09, 4.64 A)
 &rst
  ixpk= 566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1003,1004,
 igr2= 945, 946,
 &end
#
#  142 ARG  HN          141 ASN  HB-         5.00    (#    567:20  Unique         2.95, 3.76 A)
 &rst
  ixpk= 567, nxpk= 20, iat=2245,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2235,2236,
 &end
#
#  142 ARG  HN          141 ASN  HB+         5.00    (#    568:20  Unique         2.95, 3.76 A)
 &rst
  ixpk= 568, nxpk= 20, iat=2245,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2235,2236,
 &end
#
#  141 ASN  HD2-        141 ASN  HB+         5.00    (#    569:20  Unique         2.11, 3.20 A)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2240,2241,
 igr2=2235,2236,
 &end
#
#   82 LYS  HN           81 ILE  HB          5.00    (#    570:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 570, nxpk= 20, iat=1314,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 ILE  HN           81 ILE  HB          4.00    (#    571:20  Unique         2.23, 2.39 A)
 &rst
  ixpk= 571, nxpk= 20, iat=1295,1299, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 GLU  HN           24 GLU  HG-         5.00    (#    572:20  Unique         1.93, 2.64 A)
 &rst
  ixpk= 572, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 390, 391,
 &end
#
#   24 GLU  HN           24 GLU  HG+         4.00    (#    573:20  Unique         1.93, 2.64 A)
 &rst
  ixpk= 573, 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    (#    574:20  Unique         2.03, 2.79 A)
 &rst
  ixpk= 574, nxpk= 20, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 838, 839,
 &end
#
#   52 ASN  HD2+         52 ASN  HB+         4.00    (#    575:20  Unique         2.10, 3.33 A)
 &rst
  ixpk= 575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 843, 844,
 igr2= 838, 839,
 &end
#
#   52 ASN  HD2-         52 ASN  HB+         5.00    (#    577:20  Unique         2.10, 3.33 A)
 &rst
  ixpk= 577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 843, 844,
 igr2= 838, 839,
 &end
#
#   18 ASN  HD2+         18 ASN  HB+         4.00    (#    580:20  Unique         2.11, 3.22 A)
 &rst
  ixpk= 580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 302, 303,
 igr2= 297, 298,
 &end
#
#   18 ASN  HD2-         18 ASN  HB+         5.00    (#    581:20  Unique         2.11, 3.22 A)
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 302, 303,
 igr2= 297, 298,
 &end
#
#  146 GLU  HN          146 GLU  HG-         4.00    (#    582:20  Unique         2.06, 3.10 A)
 &rst
  ixpk= 582, nxpk= 20, iat=2314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2321,2322,
 &end
#
#    0 AMB  20-2:583     46 GLU  HG-         5.00    (#    583:20  Single Ambig)
 &rst
  ixpk= 583, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 760, 770,
 igr2= 752, 753,
 &end
#
#  146 GLU  HN          146 GLU  HG+         4.00    (#    584:20  Unique         2.06, 3.10 A)
 &rst
  ixpk= 584, nxpk= 20, iat=2314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2321,2322,
 &end
#
#   18 ASN  HD2-         18 ASN  HB-         6.00    (#    585:20  Unique         2.11, 3.22 A)
 &rst
  ixpk= 585, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 302, 303,
 igr2= 297, 298,
 &end
#
#   18 ASN  HD2+         18 ASN  HB-         5.00    (#    586:20  Unique         2.11, 3.22 A)
 &rst
  ixpk= 586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 302, 303,
 igr2= 297, 298,
 &end
#
#   53 GLU  HN           53 GLU  HG+         4.00    (#    588:20  Unique         1.80, 2.99 A)
 &rst
  ixpk= 588, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 855, 856,
 &end
#
#   53 GLU  HN           53 GLU  HG-         4.00    (#    590:20  Unique         1.80, 2.99 A)
 &rst
  ixpk= 590, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 855, 856,
 &end
#
#   90 ILE  HN           90 ILE  HB          4.00    (#    591:20  Unique         2.14, 3.15 A)
 &rst
  ixpk= 591, nxpk= 20, iat=1429,1433, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:593      0 AMB  20-1:593    5.00    (#    593:20  Double Ambig)
 &rst
  ixpk= 593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 148,2329,
 igr2= 155, 156,2321,2322,
 &end
#
#   46 GLU  HN           46 GLU  HG+         4.00    (#    594:20  Unique         1.93, 2.52 A)
 &rst
  ixpk= 594, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 752, 753,
 &end
#
#   29 GLU  HN           29 GLU  HG-         5.00    (#    595:20  Unique         2.66, 4.30 A)
 &rst
  ixpk= 595, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 467, 468,
 &end
#
#    9 GLU  HN            9 GLU  HG-         4.00    (#    597:20  Unique         2.35, 3.56 A)
 &rst
  ixpk= 597, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 155, 156,
 &end
#
#   30 LYS  HN           29 GLU  HG+         6.00    (#    598:20  Unique         2.01, 3.98 A)
 &rst
  ixpk= 598, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 467, 468,
 &end
#
#   65 VAL  HN           65 VAL  HB          4.00    (#    599:20  Unique         3.08, 3.61 A)
 &rst
  ixpk= 599, nxpk= 20, iat=1057,1061, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 ILE  HA           65 VAL  HB          5.00    (#    600:20  Unique         4.51, 4.71 A)
 &rst
  ixpk= 600, nxpk= 20, iat= 546,1061, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  110 TYR  HN          109 GLU  HG-         5.00    (#    601:20  Unique         4.48, 5.10 A)
 &rst
  ixpk= 601, nxpk= 20, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1721,1722,
 &end
#
#   10 LEU  HN            9 GLU  HG+         5.00    (#    603:20  Unique         4.01, 4.80 A)
 &rst
  ixpk= 603, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 155, 156,
 &end
#
#   10 LEU  HN            9 GLU  HG-         5.00    (#    605:20  Unique         4.01, 4.80 A)
 &rst
  ixpk= 605, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 155, 156,
 &end
#
#  137 GLU  HN          137 GLU  HG-         4.00    (#    606:20  Unique         3.53, 4.13 A)
 &rst
  ixpk= 606, nxpk= 20, iat=2154,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2161,2162,
 &end
#
#  141 ASN  HD2+        137 GLU  HG-         5.00    (#    607:20  Unique         3.14, 5.09 A)
 &rst
  ixpk= 607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2240,2241,
 igr2=2161,2162,
 &end
#
#   58 TYR  HD          137 GLU  HG-         5.00    (#    608:20  Unique         3.02, 5.67 A)
 &rst
  ixpk= 608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 949, 958,
 igr2=2161,2162,
 &end
#
#  109 GLU  HN          109 GLU  HG-         5.00    (#    610:20  Unique         4.01, 4.64 A)
 &rst
  ixpk= 610, nxpk= 20, iat=1714,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1721,1722,
 &end
#
#  109 GLU  HN          109 GLU  HG+         5.00    (#    611:20  Unique         4.01, 4.64 A)
 &rst
  ixpk= 611, nxpk= 20, iat=1714,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1721,1722,
 &end
#
#  141 ASN  HD2-        137 GLU  HG-         4.00    (#    612:20  Unique         3.14, 5.09 A)
 &rst
  ixpk= 612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2240,2241,
 igr2=2161,2162,
 &end
#
#  141 ASN  HD2+        137 GLU  HG-         5.00    (#    613:20  Unique         3.14, 5.09 A)
 &rst
  ixpk= 613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2240,2241,
 igr2=2161,2162,
 &end
#
#   88 HIS  HN           87 GLU  HG-         6.00    (#    614:20  Unique         2.56, 4.53 A)
 &rst
  ixpk= 614, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1392,1393,
 &end
#
#   87 GLU  HN           87 GLU  HG+         3.00    (#    615:20  Unique         2.85, 3.55 A)
 &rst
  ixpk= 615, nxpk= 20, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1392,1393,
 &end
#
#   87 GLU  HN           87 GLU  HG-         4.00    (#    616:20  Unique         2.85, 3.55 A)
 &rst
  ixpk= 616, nxpk= 20, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1392,1393,
 &end
#
#    0 AMB  20-2:617     50 GLN  HG-         3.00    (#    617:20  Single Ambig)
 &rst
  ixpk= 617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 813, 814, 801,
 igr2= 808, 809,
 &end
#
#    0 AMB  20-2:618     50 GLN  HG-         4.00    (#    618:20  Single Ambig)
 &rst
  ixpk= 618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 818, 848,
 igr2= 808, 809,
 &end
#
#   50 GLN  HE2-         50 GLN  HG-         5.00    (#    619:20  Unique         2.11, 3.39 A)
 &rst
  ixpk= 619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 813, 814,
 igr2= 808, 809,
 &end
#
#   22 THR  HN           21 VAL  HB          4.00    (#    620:20  Unique         2.47, 3.69 A)
 &rst
  ixpk= 620, 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    (#    621:20  Unique         2.40, 3.13 A)
 &rst
  ixpk= 621, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 479, 480,
 &end
#
#   63 ASN  HD2+         30 LYS  HB-         5.00    (#    622:20  Unique         2.18, 3.69 A)
 &rst
  ixpk= 622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1036,1037,
 igr2= 479, 480,
 &end
#
#   61 GLN  HE2-         61 GLN  HG-         5.00    (#    623:20  Unique         2.10, 3.16 A)
 &rst
  ixpk= 623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1003,1004,
 igr2= 998, 999,
 &end
#
#    2 LYS  HN            1 MET  HB-         5.00    (#    624:20  Unique         2.12, 3.45 A)
 &rst
  ixpk= 624, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=   8,   9,
 &end
#
#   20 GLU  HN           20 GLU  HG-         5.00    (#    625:20  Unique         1.92, 3.82 A)
 &rst
  ixpk= 625, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 321, 322,
 &end
#
#   20 GLU  HN           20 GLU  HG+         5.00    (#    626:20  Unique         1.92, 3.82 A)
 &rst
  ixpk= 626, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 321, 322,
 &end
#
#  113 ALA  HN          112 PRO  HB-         5.00    (#    628:20  Unique         2.71, 3.22 A)
 &rst
  ixpk= 628, nxpk= 20, iat=1780,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1773,1774,
 &end
#
#  113 ALA  HN            0 AMB  20-1:629    4.00    (#    629:20  Single Ambig)
 &rst
  ixpk= 629, nxpk= 20, iat=1780,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1773,1774,1754,
 &end
#
#   37 TRP  HA            0 AMB  20-1:630    5.00    (#    630:20  Single Ambig)
 &rst
  ixpk= 630, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1773,1774,1754,
 &end
#
#    0 AMB  20-2:631      0 AMB  20-1:631    4.00    (#    631:20  Double Ambig)
 &rst
  ixpk= 631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  21,2047,
 igr2=  25,  26,1773,1774,
 &end
#
#   61 GLN  HN           61 GLN  HG+         4.00    (#    634:20  Unique         2.05, 3.39 A)
 &rst
  ixpk= 634, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 998, 999,
 &end
#
#   61 GLN  HE2+         61 GLN  HG+         4.00    (#    635:20  Unique         2.10, 3.16 A)
 &rst
  ixpk= 635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1003,1004,
 igr2= 998, 999,
 &end
#
#   61 GLN  HE2-         61 GLN  HG+         4.00    (#    637:20  Unique         2.10, 3.16 A)
 &rst
  ixpk= 637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1003,1004,
 igr2= 998, 999,
 &end
#
#  122 GLN  HN          122 GLN  HG-         4.00    (#    638:20  Unique         2.39, 3.35 A)
 &rst
  ixpk= 638, nxpk= 20, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1930,1931,
 &end
#
#  122 GLN  HE2-        122 GLN  HG-         5.00    (#    639:20  Unique         2.10, 3.25 A)
 &rst
  ixpk= 639, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1935,1936,
 igr2=1930,1931,
 &end
#
#   61 GLN  HN           61 GLN  HG-         4.00    (#    640:20  Unique         2.05, 3.39 A)
 &rst
  ixpk= 640, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 998, 999,
 &end
#
#   61 GLN  HE2+         61 GLN  HG-         4.00    (#    641:20  Unique         2.10, 3.16 A)
 &rst
  ixpk= 641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1003,1004,
 igr2= 998, 999,
 &end
#
#  122 GLN  HN          122 GLN  HG+         5.00    (#    642:20  Unique         2.39, 3.35 A)
 &rst
  ixpk= 642, nxpk= 20, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1930,1931,
 &end
#
#  122 GLN  HE2+        122 GLN  HG+         5.00    (#    643:20  Unique         2.10, 3.25 A)
 &rst
  ixpk= 643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1935,1936,
 igr2=1930,1931,
 &end
#
#  122 GLN  HE2-        122 GLN  HG+         6.00    (#    644:20  Unique         2.10, 3.25 A)
 &rst
  ixpk= 644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1935,1936,
 igr2=1930,1931,
 &end
#
#   64 VAL  HN           64 VAL  HB          4.00    (#    645:20  Unique         2.59, 2.82 A)
 &rst
  ixpk= 645, nxpk= 20, iat=1041,1045, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:646    122 GLN  HG-         5.00    (#    646:20  Single Ambig)
 &rst
  ixpk= 646, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1868,1916,
 igr2=1930,1931,
 &end
#
#    0 AMB  20-2:647      0 AMB  20-1:647    3.00    (#    647:20  Double Ambig)
 &rst
  ixpk= 647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1935,1936,1983,
 igr2=1930,1931,1987,1988,
 &end
#
#    0 AMB  20-2:648      0 AMB  20-1:648    6.00    (#    648:20  Double Ambig)
 &rst
  ixpk= 648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 979,1940,
 igr2= 998, 999,1930,1931,
 &end
#
#  123 LEU  HN          122 GLN  HG+         5.00    (#    649:20  Unique         3.30, 4.48 A)
 &rst
  ixpk= 649, nxpk= 20, iat=1940,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1930,1931,
 &end
#
#   65 VAL  HN           64 VAL  HB          5.00    (#    650:20  Unique         3.44, 3.75 A)
 &rst
  ixpk= 650, nxpk= 20, iat=1057,1045, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 VAL  HA           64 VAL  HB          5.00    (#    651:20  Unique         2.94, 2.98 A)
 &rst
  ixpk= 651, nxpk= 20, iat=1043,1045, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 LEU  HN            2 LYS  HB+         4.00    (#    652:20  Unique         1.93, 3.82 A)
 &rst
  ixpk= 652, 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-         5.00    (#    653:20  Unique         1.93, 3.82 A)
 &rst
  ixpk= 653, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  25,  26,
 &end
#
#    2 LYS  HN            2 LYS  HB-         5.00    (#    654:20  Unique         3.07, 3.64 A)
 &rst
  ixpk= 654, 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+         4.00    (#    656:20  Unique         2.59, 3.59 A)
 &rst
  ixpk= 656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  98,  99,
 igr2=  93,  94,
 &end
#
#    2 LYS  HN            5 GLN  HG+         5.00    (#    657:20  Unique         1.88, 3.23 A)
 &rst
  ixpk= 657, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  93,  94,
 &end
#
#    5 GLN  HE2-          5 GLN  HG+         3.00    (#    658:20  Unique         2.59, 3.59 A)
 &rst
  ixpk= 658, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  98,  99,
 igr2=  93,  94,
 &end
#
#    0 AMB  20-2:661    116 VAL  HB          5.00    (#    661:20  Single Ambig)
 &rst
  ixpk= 661, nxpk= 20, iat=  -1,1836, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1834,1813,
 &end
#
#  125 HIS  HN          116 VAL  HB          5.00    (#    662:20  Unique         2.55, 2.99 A)
 &rst
  ixpk= 662, nxpk= 20, iat=1983,1836, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LYS  HN           29 GLU  HB+         4.00    (#    663:20  Unique         2.66, 3.59 A)
 &rst
  ixpk= 663, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 464, 465,
 &end
#
#   32 THR  HN           31 PRO  HB-         5.00    (#    664:20  Unique         2.82, 3.25 A)
 &rst
  ixpk= 664, nxpk= 20, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 504, 505,
 &end
#
#    0 AMB  20-2:665      0 AMB  20-1:665    4.00    (#    665:20  Double Ambig)
 &rst
  ixpk= 665, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 974, 975, 896,
 igr2= 969, 970, 969, 970,
 &end
#
#  116 VAL  HN          116 VAL  HB          5.00    (#    666:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 666, nxpk= 20, iat=1832,1836, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 GLU  HN           29 GLU  HB+         5.00    (#    667:20  Unique         2.64, 3.49 A)
 &rst
  ixpk= 667, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 464, 465,
 &end
#
#   32 THR  HN           31 PRO  HB+         5.00    (#    668:20  Unique         2.82, 3.25 A)
 &rst
  ixpk= 668, nxpk= 20, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 504, 505,
 &end
#
#   30 LYS  HN           29 GLU  HB-         4.00    (#    669:20  Unique         2.66, 3.59 A)
 &rst
  ixpk= 669, 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    (#    670:20  Unique         2.64, 3.49 A)
 &rst
  ixpk= 670, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 464, 465,
 &end
#
#   60 ASP  HN           59 GLN  HG-         5.00    (#    671:20  Unique         2.48, 3.99 A)
 &rst
  ixpk= 671, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 969, 970,
 &end
#
#   59 GLN  HN           59 GLN  HG-         4.00    (#    672:20  Unique         1.79, 3.82 A)
 &rst
  ixpk= 672, nxpk= 20, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 969, 970,
 &end
#
#    0 AMB  20-2:673     59 GLN  HG-         5.00    (#    673:20  Single Ambig)
 &rst
  ixpk= 673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 974, 975, 896,
 igr2= 969, 970,
 &end
#
#   60 ASP  HN           59 GLN  HG+         5.00    (#    674:20  Unique         2.48, 3.99 A)
 &rst
  ixpk= 674, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 969, 970,
 &end
#
#   59 GLN  HE2-         59 GLN  HG+         4.00    (#    675:20  Unique         2.11, 3.38 A)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 974, 975,
 igr2= 969, 970,
 &end
#
#   59 GLN  HN           59 GLN  HG+         4.00    (#    676:20  Unique         1.79, 3.82 A)
 &rst
  ixpk= 676, nxpk= 20, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 969, 970,
 &end
#
#   61 GLN  HN           61 GLN  HB+         4.00    (#    677:20  Unique         2.43, 3.08 A)
 &rst
  ixpk= 677, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 995, 996,
 &end
#
#   67 VAL  HN           67 VAL  HB          5.00    (#    678:20  Unique         2.45, 2.85 A)
 &rst
  ixpk= 678, nxpk= 20, iat=1083,1087, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 PHE  HA           67 VAL  HB          5.00    (#    679:20  Unique         2.06, 2.54 A)
 &rst
  ixpk= 679, nxpk= 20, iat= 582,1087, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 GLN  HE2-         61 GLN  HB-         5.00    (#    681:20  Unique         2.51, 4.35 A)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1003,1004,
 igr2= 995, 996,
 &end
#
#  128 ALA  HN          127 GLN  HB-         4.00    (#    682:20  Unique         2.84, 3.92 A)
 &rst
  ixpk= 682, nxpk= 20, iat=2037,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2024,2025,
 &end
#
#   14 LYS  HN           14 LYS  HB+         4.00    (#    686:20  Unique         2.39, 3.24 A)
 &rst
  ixpk= 686, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 222, 223,
 &end
#
#   14 LYS  HN           14 LYS  HB-         5.00    (#    689:20  Unique         2.39, 3.24 A)
 &rst
  ixpk= 689, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 222, 223,
 &end
#
#    0 AMB  20-2:690     14 LYS  HB-         5.00    (#    690:20  Single Ambig)
 &rst
  ixpk= 690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 240,1560,
 igr2= 222, 223,
 &end
#
#   82 LYS  HN           82 LYS  HB+         3.00    (#    691:20  Unique         2.01, 2.59 A)
 &rst
  ixpk= 691, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1318,1319,
 &end
#
#   82 LYS  HN           82 LYS  HB-         3.00    (#    692:20  Unique         2.01, 2.59 A)
 &rst
  ixpk= 692, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1318,1319,
 &end
#
#   57 LYS  HN           57 LYS  HB-         3.00    (#    693:20  Unique         2.01, 2.59 A)
 &rst
  ixpk= 693, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 923, 924,
 &end
#
#   58 TYR  HN           57 LYS  HB-         4.00    (#    694:20  Unique         2.24, 2.86 A)
 &rst
  ixpk= 694, nxpk= 20, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 923, 924,
 &end
#
#   14 LYS  HN           14 LYS  HB-         5.00    (#    695:20  Unique         2.39, 3.24 A)
 &rst
  ixpk= 695, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 222, 223,
 &end
#
#   57 LYS  HN           57 LYS  HB+         4.00    (#    696:20  Unique         2.01, 2.59 A)
 &rst
  ixpk= 696, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 923, 924,
 &end
#
#   58 TYR  HN           57 LYS  HB+         4.00    (#    697:20  Unique         2.24, 2.86 A)
 &rst
  ixpk= 697, nxpk= 20, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 923, 924,
 &end
#
#    7 MET  HN            6 PRO  HB+         5.00    (#    698:20  Unique         2.08, 3.86 A)
 &rst
  ixpk= 698, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 110, 111,
 &end
#
#   14 LYS  HN           14 LYS  HB+         3.00    (#    699:20  Unique         2.39, 3.24 A)
 &rst
  ixpk= 699, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 222, 223,
 &end
#
#   46 GLU  HN           45 LYS  HB+         4.00    (#    700:20  Unique         2.15, 3.48 A)
 &rst
  ixpk= 700, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 727, 728,
 &end
#
#   35 HIS  HA           35 HIS  HB-         5.00    (#    701:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 701, nxpk= 20, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 567, 568,
 &end
#
#   35 HIS  HD2          35 HIS  HB+         5.00    (#    703:20  Unique         2.94, 3.56 A)
 &rst
  ixpk= 703, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 567, 568,
 &end
#
#   35 HIS  HA           35 HIS  HB+         5.00    (#    704:20  Unique         2.22, 2.47 A)
 &rst
  ixpk= 704, nxpk= 20, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 567, 568,
 &end
#
#  138 LYS  HN          138 LYS  HB-         3.00    (#    705:20  Unique         2.74, 3.24 A)
 &rst
  ixpk= 705, nxpk= 20, iat=2169,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2173,2174,
 &end
#
#    0 AMB  20-2:706      0 AMB  20-1:706    3.00    (#    706:20  Double Ambig)
 &rst
  ixpk= 706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1273,2169,
 igr2=1277,1278,2173,2174,
 &end
#
#    9 GLU  HN            8 PRO  HB-         4.00    (#    708:20  Unique         2.09, 3.25 A)
 &rst
  ixpk= 708, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 141, 142,
 &end
#
#   79 GLY  HN           78 PRO  HB+         4.00    (#    709:20  Unique         3.64, 4.20 A)
 &rst
  ixpk= 709, nxpk= 20, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1259,1260,
 &end
#
#  139 ARG  HN          138 LYS  HB-         4.00    (#    710:20  Unique         2.49, 3.47 A)
 &rst
  ixpk= 710, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2173,2174,
 &end
#
#   46 GLU  HN           45 LYS  HB+         4.00    (#    711:20  Unique         2.15, 3.48 A)
 &rst
  ixpk= 711, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 727, 728,
 &end
#
#  139 ARG  HN          138 LYS  HB+         4.00    (#    712:20  Unique         2.49, 3.47 A)
 &rst
  ixpk= 712, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2173,2174,
 &end
#
#    0 AMB  20-2:713      0 AMB  20-1:713    4.00    (#    713:20  Double Ambig)
 &rst
  ixpk= 713, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 723,2240,2241,
 igr2= 727, 728,2173,2174,
 &end
#
#    9 GLU  HN            8 PRO  HB+         4.00    (#    714:20  Unique         2.09, 3.25 A)
 &rst
  ixpk= 714, 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    (#    715:20  Unique         2.15, 2.90 A)
 &rst
  ixpk= 715, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1884,1885,
 &end
#
#  119 LYS  HN          119 LYS  HB-         5.00    (#    717:20  Unique         2.15, 2.90 A)
 &rst
  ixpk= 717, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1884,1885,
 &end
#
#  109 GLU  HN          109 GLU  HB-         4.00    (#    718:20  Unique         2.68, 3.30 A)
 &rst
  ixpk= 718, nxpk= 20, iat=1714,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1718,1719,
 &end
#
#  110 TYR  HN          109 GLU  HB-         5.00    (#    719:20  Unique         3.96, 4.36 A)
 &rst
  ixpk= 719, nxpk= 20, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1718,1719,
 &end
#
#   92 GLN  HE2+         92 GLN  HG+         6.00    (#    722:20  Unique         2.10, 3.16 A)
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1474,1475,
 igr2=1469,1470,
 &end
#
#   17 LEU  HN           16 TRP  HB-         5.00    (#    724:20  Unique         2.83, 3.62 A)
 &rst
  ixpk= 724, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 254, 255,
 &end
#
#   16 TRP  HA           16 TRP  HB-         5.00    (#    725:20  Unique         2.24, 2.49 A)
 &rst
  ixpk= 725, nxpk= 20, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 254, 255,
 &end
#
#   41 CYS  HN           41 CYS  HB+         4.00    (#    726:20  Unique         2.23, 3.01 A)
 &rst
  ixpk= 726, nxpk= 20, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 669, 670,
 &end
#
#   16 TRP  HN           16 TRP  HB+         5.00    (#    727:20  Unique         2.66, 3.51 A)
 &rst
  ixpk= 727, nxpk= 20, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 254, 255,
 &end
#
#   16 TRP  HA           16 TRP  HB+         5.00    (#    728:20  Unique         2.24, 2.49 A)
 &rst
  ixpk= 728, nxpk= 20, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 254, 255,
 &end
#
#   41 CYS  HN           41 CYS  HB-         5.00    (#    729:20  Unique         2.23, 3.01 A)
 &rst
  ixpk= 729, nxpk= 20, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 669, 670,
 &end
#
#   92 GLN  HE2+         92 GLN  HG-         6.00    (#    730:20  Unique         2.10, 3.16 A)
 &rst
  ixpk= 730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1474,1475,
 igr2=1469,1470,
 &end
#
#  135 MET  HN          135 MET  HB+         5.00    (#    731:20  Unique         2.20, 2.65 A)
 &rst
  ixpk= 731, nxpk= 20, iat=2118,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2122,2123,
 &end
#
#   80 LYS  HN           78 PRO  HB+         5.00    (#    732:20  Unique         5.45, 5.75 A)
 &rst
  ixpk= 732, nxpk= 20, iat=1273,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1259,1260,
 &end
#
#   41 CYS  HN           41 CYS  HB+         4.00    (#    733:20  Unique         2.23, 3.01 A)
 &rst
  ixpk= 733, nxpk= 20, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 669, 670,
 &end
#
#    2 LYS  HN            1 MET  HG+         5.00    (#    734:20  Unique         2.93, 4.38 A)
 &rst
  ixpk= 734, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  11,  12,
 &end
#
#  142 ARG  HN          143 VAL  HB          5.00    (#    735:20  Unique         4.07, 4.15 A)
 &rst
  ixpk= 735, nxpk= 20, iat=2245,2273, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    2 LYS  HN            1 MET  HG-         5.00    (#    736:20  Unique         2.93, 4.38 A)
 &rst
  ixpk= 736, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  11,  12,
 &end
#
#    0 AMB  20-2:737      0 AMB  20-1:737    5.00    (#    737:20  Double Ambig)
 &rst
  ixpk= 737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2118,  98,  99,
 igr2=2122,2123,  11,  12,
 &end
#
#  136 LEU  HN          135 MET  HB+         5.00    (#    738:20  Unique         2.43, 3.41 A)
 &rst
  ixpk= 738, nxpk= 20, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2122,2123,
 &end
#
#  135 MET  HN          135 MET  HB+         5.00    (#    739:20  Unique         2.20, 2.65 A)
 &rst
  ixpk= 739, nxpk= 20, iat=2118,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2122,2123,
 &end
#
#  144 LEU  HN          143 VAL  HB          4.00    (#    740:20  Unique         3.12, 3.39 A)
 &rst
  ixpk= 740, nxpk= 20, iat=2285,2273, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  143 VAL  HN          143 VAL  HB          3.00    (#    741:20  Unique         1.95, 2.06 A)
 &rst
  ixpk= 741, nxpk= 20, iat=2269,2273, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   71 ARG  HN           71 ARG  HB+         6.00    (#    744:20  Unique         2.05, 2.60 A)
 &rst
  ixpk= 744, nxpk= 20, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1151,1152,
 &end
#
#    0 AMB  20-2:745    140 VAL  HB          5.00    (#    745:20  Single Ambig)
 &rst
  ixpk= 745, nxpk= 20, iat=  -1,2219, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2245,2169,
 &end
#
#  140 VAL  HN          140 VAL  HB          3.00    (#    746:20  Unique         1.96, 2.12 A)
 &rst
  ixpk= 746, nxpk= 20, iat=2215,2219, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  141 ASN  HN          140 VAL  HB          4.00    (#    747:20  Unique         2.27, 3.06 A)
 &rst
  ixpk= 747, nxpk= 20, iat=2231,2219, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   50 GLN  HN           49 PRO  HB-         5.00    (#    751:20  Unique         3.20, 3.83 A)
 &rst
  ixpk= 751, nxpk= 20, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 794, 795,
 &end
#
#  148 GLU  HN          148 GLU  HB-         4.00    (#    752:20  Unique         2.76, 3.37 A)
 &rst
  ixpk= 752, nxpk= 20, iat=2343,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2347,2348,
 &end
#
#   52 ASN  HN           51 VAL  HB          4.00    (#    753:20  Unique         2.88, 3.34 A)
 &rst
  ixpk= 753, nxpk= 20, iat= 834, 822, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 VAL  HN           51 VAL  HB          3.00    (#    754:20  Unique         2.00, 2.10 A)
 &rst
  ixpk= 754, nxpk= 20, iat= 818, 822, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:755     51 VAL  HB          5.00    (#    755:20  Single Ambig)
 &rst
  ixpk= 755, nxpk= 20, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 801, 770,
 &end
#
#  148 GLU  HN          148 GLU  HB+         4.00    (#    756:20  Unique         2.76, 3.37 A)
 &rst
  ixpk= 756, nxpk= 20, iat=2343,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2347,2348,
 &end
#
#   50 GLN  HN           49 PRO  HB+         5.00    (#    757:20  Unique         3.20, 3.83 A)
 &rst
  ixpk= 757, nxpk= 20, iat= 801,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 794, 795,
 &end
#
#   20 GLU  HN           20 GLU  HB-         4.00    (#    758:20  Unique         2.03, 2.97 A)
 &rst
  ixpk= 758, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 318, 319,
 &end
#
#   20 GLU  HN           20 GLU  HB+         5.00    (#    759:20  Unique         2.03, 2.97 A)
 &rst
  ixpk= 759, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 318, 319,
 &end
#
#  122 GLN  HN          122 GLN  HB-         4.00    (#    761:20  Unique         2.16, 3.08 A)
 &rst
  ixpk= 761, nxpk= 20, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1927,1928,
 &end
#
#    0 AMB  20-2:762      0 AMB  20-1:762    6.00    (#    762:20  Double Ambig)
 &rst
  ixpk= 762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1868,1916,
 igr2=1927,1928,1927,1928,
 &end
#
#  122 GLN  HN          122 GLN  HB+         5.00    (#    763:20  Unique         2.16, 3.08 A)
 &rst
  ixpk= 763, nxpk= 20, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1927,1928,
 &end
#
#   55 ARG  HN           55 ARG  HB+         5.00    (#    765:20  Unique         2.03, 2.52 A)
 &rst
  ixpk= 765, nxpk= 20, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 887, 888,
 &end
#
#  123 LEU  HN          122 GLN  HB+         6.00    (#    766:20  Unique         3.10, 3.94 A)
 &rst
  ixpk= 766, nxpk= 20, iat=1940,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1927,1928,
 &end
#
#   55 ARG  HN           55 ARG  HB-         6.00    (#    767:20  Unique         2.03, 2.52 A)
 &rst
  ixpk= 767, nxpk= 20, iat= 883,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 887, 888,
 &end
#
#   24 GLU  HN           23 ARG  HB+         4.00    (#    768:20  Unique         2.67, 3.84 A)
 &rst
  ixpk= 768, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 363, 364,
 &end
#
#   23 ARG  HN           23 ARG  HB+         4.00    (#    769:20  Unique         2.30, 2.97 A)
 &rst
  ixpk= 769, nxpk= 20, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 363, 364,
 &end
#
#   10 LEU  HN            9 GLU  HB+         5.00    (#    771:20  Unique         2.16, 4.20 A)
 &rst
  ixpk= 771, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 152, 153,
 &end
#
#   88 HIS  HN           88 HIS  HB-         5.00    (#    772:20  Unique         2.28, 3.03 A)
 &rst
  ixpk= 772, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1404,1405,
 &end
#
#   10 LEU  HN            9 GLU  HB-         4.00    (#    773:20  Unique         2.16, 4.20 A)
 &rst
  ixpk= 773, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 152, 153,
 &end
#
#    9 GLU  HN            9 GLU  HB-         4.00    (#    775:20  Unique         2.51, 3.43 A)
 &rst
  ixpk= 775, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 152, 153,
 &end
#
#    9 GLU  HN            9 GLU  HB+         4.00    (#    776:20  Unique         2.51, 3.43 A)
 &rst
  ixpk= 776, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 152, 153,
 &end
#
#   88 HIS  HN           88 HIS  HB+         5.00    (#    777:20  Unique         2.28, 3.03 A)
 &rst
  ixpk= 777, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1404,1405,
 &end
#
#  119 LYS  HN          119 LYS  HD+         5.00    (#    780:20  Unique         3.97, 4.77 A)
 &rst
  ixpk= 780, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1890,1891,
 &end
#
#  119 LYS  HN          119 LYS  HD-         6.00    (#    781:20  Unique         3.97, 4.77 A)
 &rst
  ixpk= 781, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1890,1891,
 &end
#
#   68 HIS  HN           68 HIS  HB-         6.00    (#    782:20  Unique         2.04, 2.65 A)
 &rst
  ixpk= 782, nxpk= 20, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1103,1104,
 &end
#
#   83 GLU  HN           83 GLU  HB+         5.00    (#    784:20  Unique         2.02, 2.58 A)
 &rst
  ixpk= 784, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1340,1341,
 &end
#
#   96 VAL  HN           68 HIS  HB+         5.00    (#    786:20  Unique         4.21, 5.45 A)
 &rst
  ixpk= 786, nxpk= 20, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1103,1104,
 &end
#
#   84 THR  HN           83 GLU  HB-         3.00    (#    787:20  Unique         2.39, 3.13 A)
 &rst
  ixpk= 787, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1340,1341,
 &end
#
#    0 AMB  20-2:788      0 AMB  20-1:788    3.00    (#    788:20  Double Ambig)
 &rst
  ixpk= 788, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1336, 745,
 igr2=1340,1341, 749, 750,
 &end
#
#  142 ARG  HN          142 ARG  HB+         3.00    (#    789:20  Unique         2.09, 2.54 A)
 &rst
  ixpk= 789, nxpk= 20, iat=2245,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2249,2250,
 &end
#
#  143 VAL  HN          142 ARG  HB+         3.00    (#    790:20  Unique         2.46, 3.31 A)
 &rst
  ixpk= 790, nxpk= 20, iat=2269,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2249,2250,
 &end
#
#    0 AMB  20-2:792      0 AMB  20-1:792    5.00    (#    792:20  Double Ambig)
 &rst
  ixpk= 792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1351,  21,
 igr2=1340,1341,  90,  91,
 &end
#
#    5 GLN  HN            5 GLN  HB+         4.00    (#    793:20  Unique         2.17, 3.24 A)
 &rst
  ixpk= 793, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  90,  91,
 &end
#
#   68 HIS  HN           68 HIS  HB+         5.00    (#    794:20  Unique         2.04, 2.65 A)
 &rst
  ixpk= 794, nxpk= 20, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1103,1104,
 &end
#
#   87 GLU  HN           87 GLU  HB-         3.00    (#    795:20  Unique         2.12, 2.90 A)
 &rst
  ixpk= 795, nxpk= 20, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1389,1390,
 &end
#
#    0 AMB  20-2:797      0 AMB  20-1:797    4.00    (#    797:20  Double Ambig)
 &rst
  ixpk= 797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1410,2240,2241,
 igr2=1389,1390,2158,2159,
 &end
#
#    5 GLN  HN            5 GLN  HB-         4.00    (#    799:20  Unique         2.17, 3.24 A)
 &rst
  ixpk= 799, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  90,  91,
 &end
#
#    0 AMB  20-2:800      0 AMB  20-1:800    6.00    (#    800:20  Double Ambig)
 &rst
  ixpk= 800, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1675,1679, 410, 411,
 igr2=  90,  91, 402, 403,
 &end
#
#   57 LYS  HN           57 LYS  HD-         6.00    (#    801:20  Unique         3.06, 4.66 A)
 &rst
  ixpk= 801, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 929, 930,
 &end
#
#   57 LYS  HN           57 LYS  HD+         6.00    (#    802:20  Unique         3.06, 4.66 A)
 &rst
  ixpk= 802, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 929, 930,
 &end
#
#    0 AMB  20-2:805      0 AMB  20-1:805    3.00    (#    805:20  Double Ambig)
 &rst
  ixpk= 805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=2314,1400,
 igr2=2318,2319,1389,1390,
 &end
#
#    0 AMB  20-2:807      0 AMB  20-1:807    6.00    (#    807:20  Double Ambig)
 &rst
  ixpk= 807, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=  98,  99, 843, 844,
 igr2=  90,  91, 852, 853,
 &end
#
#   87 GLU  HN           87 GLU  HB+         3.00    (#    808:20  Unique         2.12, 2.90 A)
 &rst
  ixpk= 808, nxpk= 20, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1389,1390,
 &end
#
#   82 LYS  HN           82 LYS  HD+         4.00    (#    810:20  Unique         3.10, 4.44 A)
 &rst
  ixpk= 810, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1324,1325,
 &end
#
#   63 ASN  HD2+         30 LYS  HD+         6.00    (#    811:20  Unique         3.51, 5.11 A)
 &rst
  ixpk= 811, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1036,1037,
 igr2= 485, 486,
 &end
#
#   30 LYS  HA           30 LYS  HD-         5.00    (#    812:20  Unique         2.62, 4.35 A)
 &rst
  ixpk= 812, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 485, 486,
 &end
#
#    0 AMB  20-2:814     25 GLN  HB-         3.00    (#    814:20  Single Ambig)
 &rst
  ixpk= 814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 345, 398,
 igr2= 402, 403,
 &end
#
#   53 GLU  HN           53 GLU  HB-         3.00    (#    815:20  Unique         2.04, 2.94 A)
 &rst
  ixpk= 815, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 852, 853,
 &end
#
#    0 AMB  20-2:816      0 AMB  20-1:816    6.00    (#    816:20  Double Ambig)
 &rst
  ixpk= 816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 410, 411, 873, 877,
 igr2= 402, 403,2158,2159,
 &end
#
#    0 AMB  20-2:817      0 AMB  20-1:817    3.00    (#    817:20  Double Ambig)
 &rst
  ixpk= 817, 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
#
#   53 GLU  HN           53 GLU  HB+         3.00    (#    818:20  Unique         2.04, 2.94 A)
 &rst
  ixpk= 818, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 852, 853,
 &end
#
#    0 AMB  20-2:820      0 AMB  20-1:820    4.00    (#    820:20  Double Ambig)
 &rst
  ixpk= 820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=2169,1273,
 igr2=2179,2180,1283,1284,
 &end
#
#   45 LYS  HN           44 CYS  HB+         5.00    (#    821:20  Unique         2.61, 3.51 A)
 &rst
  ixpk= 821, nxpk= 20, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 716, 717,
 &end
#
#   24 GLU  HN           24 GLU  HB-         4.00    (#    823:20  Unique         2.40, 3.06 A)
 &rst
  ixpk= 823, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 387, 388,
 &end
#
#   80 LYS  HN           80 LYS  HD-         4.00    (#    824:20  Unique         2.45, 3.72 A)
 &rst
  ixpk= 824, nxpk= 20, iat=1273,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1283,1284,
 &end
#
#    0 AMB  20-2:825     44 CYS  HB-         5.00    (#    825:20  Single Ambig)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 723, 665,
 igr2= 716, 717,
 &end
#
#   24 GLU  HN           24 GLU  HB+         4.00    (#    826:20  Unique         2.40, 3.06 A)
 &rst
  ixpk= 826, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 387, 388,
 &end
#
#    0 AMB  20-2:827      0 AMB  20-1:827    4.00    (#    827:20  Double Ambig)
 &rst
  ixpk= 827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 813, 814, 801,
 igr2= 805, 806, 805, 806,
 &end
#
#   74 ASP  HN           80 LYS  HD+         6.00    (#    829:20  Unique         4.71, 6.18 A)
 &rst
  ixpk= 829, nxpk= 20, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1283,1284,
 &end
#
#   79 GLY  HN           80 LYS  HD+         6.00    (#    830:20  Unique         4.11, 5.29 A)
 &rst
  ixpk= 830, nxpk= 20, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1283,1284,
 &end
#
#  139 ARG  HN          139 ARG  HB-         5.00    (#    831:20  Unique         2.03, 2.62 A)
 &rst
  ixpk= 831, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2195,2196,
 &end
#
#   58 TYR  HN           59 GLN  HB+         5.00    (#    832:20  Unique         4.03, 4.87 A)
 &rst
  ixpk= 832, nxpk= 20, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 966, 967,
 &end
#
#   73 GLU  HN           73 GLU  HB-         5.00    (#    833:20  Unique         2.18, 2.92 A)
 &rst
  ixpk= 833, nxpk= 20, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1186,1187,
 &end
#
#   52 ASN  HD2+         50 GLN  HB+         6.00    (#    834:20  Unique         6.16, 7.01 A)
 &rst
  ixpk= 834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 843, 844,
 igr2= 805, 806,
 &end
#
#   34 ILE  HN           34 ILE  HG1+        6.00    (#    835:20  Unique         2.40, 3.47 A)
 &rst
  ixpk= 835, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 554, 555,
 &end
#
#    0 AMB  20-2:836      0 AMB  20-1:836    5.00    (#    836:20  Double Ambig)
 &rst
  ixpk= 836, 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
#
#    0 AMB  20-2:837      0 AMB  20-1:837    6.00    (#    837:20  Double Ambig)
 &rst
  ixpk= 837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1057, 563,
 igr2= 554, 555, 554, 555,
 &end
#
#  139 ARG  HN          139 ARG  HB-         6.00    (#    839:20  Unique         2.03, 2.62 A)
 &rst
  ixpk= 839, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2195,2196,
 &end
#
#  139 ARG  HN          139 ARG  HB+         5.00    (#    840:20  Unique         2.03, 2.62 A)
 &rst
  ixpk= 840, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2195,2196,
 &end
#
#    0 AMB  20-2:841     34 ILE  HG1-        5.00    (#    841:20  Single Ambig)
 &rst
  ixpk= 841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1057, 563,
 igr2= 554, 555,
 &end
#
#    0 AMB  20-2:842     34 ILE  HG1-        5.00    (#    842:20  Single Ambig)
 &rst
  ixpk= 842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 546, 527,
 igr2= 554, 555,
 &end
#
#   60 ASP  HN           59 GLN  HB+         5.00    (#    844:20  Unique         3.12, 4.19 A)
 &rst
  ixpk= 844, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 966, 967,
 &end
#
#   59 GLN  HN           59 GLN  HB+         4.00    (#    845:20  Unique         2.02, 2.83 A)
 &rst
  ixpk= 845, nxpk= 20, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 966, 967,
 &end
#
#   59 GLN  HN           59 GLN  HB-         4.00    (#    846:20  Unique         2.02, 2.83 A)
 &rst
  ixpk= 846, nxpk= 20, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 966, 967,
 &end
#
#   60 ASP  HN           59 GLN  HB-         5.00    (#    847:20  Unique         3.12, 4.19 A)
 &rst
  ixpk= 847, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 966, 967,
 &end
#
#   54 PHE  HE           33 LEU  HG          5.00    (#    848:20  Unique         1.97, 5.00 A)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 873, 877,
 &end
#
#   33 LEU  HA           33 LEU  HG          5.00    (#    850:20  Unique         2.51, 3.31 A)
 &rst
  ixpk= 850, nxpk= 20, iat= 527, 532, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 ILE  HN           33 LEU  HG          5.00    (#    851:20  Unique         3.10, 3.94 A)
 &rst
  ixpk= 851, nxpk= 20, iat= 544, 532, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:852     33 LEU  HG          6.00    (#    852:20  Single Ambig)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1057, 563,
 &end
#
#   81 ILE  HN           81 ILE  HG1+        5.00    (#    853:20  Unique         1.91, 3.00 A)
 &rst
  ixpk= 853, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1305,1306,
 &end
#
#    4 ARG  HN            4 ARG  HG-         5.00    (#    854:20  Unique         2.38, 3.42 A)
 &rst
  ixpk= 854, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  69,  70,
 &end
#
#    4 ARG  HN            4 ARG  HG+         5.00    (#    856:20  Unique         2.38, 3.42 A)
 &rst
  ixpk= 856, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  69,  70,
 &end
#
#  100 HIS  HN          100 HIS  HB-         5.00    (#    858:20  Unique         2.94, 3.78 A)
 &rst
  ixpk= 858, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1587,1588,
 &end
#
#  107 GLU  HN          107 GLU  HB+         5.00    (#    859:20  Unique         3.06, 3.57 A)
 &rst
  ixpk= 859, nxpk= 20, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1689,1690,
 &end
#
#    0 AMB  20-2:861      0 AMB  20-1:861    5.00    (#    861:20  Double Ambig)
 &rst
  ixpk= 861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2285,1714,
 igr2= 501, 502,1689,1690,
 &end
#
#  105 ALA  HN          107 GLU  HB-         6.00    (#    862:20  Unique         5.25, 6.15 A)
 &rst
  ixpk= 862, nxpk= 20, iat=1655,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1689,1690,
 &end
#
#    0 AMB  20-2:863      0 AMB  20-1:863    6.00    (#    863:20  Double Ambig)
 &rst
  ixpk= 863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2285,1714,
 igr2= 501, 502,1689,1690,
 &end
#
#  100 HIS  HN          100 HIS  HB+         6.00    (#    864:20  Unique         2.94, 3.78 A)
 &rst
  ixpk= 864, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1587,1588,
 &end
#
#   48 MET  HN           48 MET  HB+         4.00    (#    865:20  Unique         1.97, 2.64 A)
 &rst
  ixpk= 865, nxpk= 20, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 774, 775,
 &end
#
#   79 GLY  HN           78 PRO  HG+         5.00    (#    866:20  Unique         3.26, 4.10 A)
 &rst
  ixpk= 866, nxpk= 20, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1256,1257,
 &end
#
#    0 AMB  20-2:867      0 AMB  20-1:867    5.00    (#    867:20  Double Ambig)
 &rst
  ixpk= 867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1665, 511,
 igr2=1689,1690, 501, 502,
 &end
#
#    9 GLU  HN            8 PRO  HG-         5.00    (#    870:20  Unique         2.20, 3.06 A)
 &rst
  ixpk= 870, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 138, 139,
 &end
#
#    9 GLU  HN            8 PRO  HG+         5.00    (#    871:20  Unique         2.20, 3.06 A)
 &rst
  ixpk= 871, nxpk= 20, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 138, 139,
 &end
#
#    4 ARG  HN            3 LEU  HG          5.00    (#    872:20  Unique         4.98, 5.05 A)
 &rst
  ixpk= 872, nxpk= 20, iat=  62,  50, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 LEU  HN            3 LEU  HG          3.00    (#    873:20  Unique         2.10, 2.73 A)
 &rst
  ixpk= 873, 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    (#    874:20  Unique         1.96, 3.64 A)
 &rst
  ixpk= 874, nxpk= 20, iat= 163, 170, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  104 ASP  HN            8 PRO  HG+         6.00    (#    876:20  Unique         6.17, 6.97 A)
 &rst
  ixpk= 876, nxpk= 20, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 138, 139,
 &end
#
#    4 ARG  HN            4 ARG  HB-         6.00    (#    877:20  Unique         2.92, 3.76 A)
 &rst
  ixpk= 877, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  66,  67,
 &end
#
#    0 AMB  20-2:878      0 AMB  20-1:878    5.00    (#    878:20  Double Ambig)
 &rst
  ixpk= 878, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 359,  62,
 igr2= 170,1966,1967,
 &end
#
#  144 LEU  HN          144 LEU  HG          3.00    (#    879:20  Unique         2.05, 2.19 A)
 &rst
  ixpk= 879, nxpk= 20, iat=2285,2292, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   17 LEU  HN           17 LEU  HG          5.00    (#    880:20  Unique         2.25, 4.04 A)
 &rst
  ixpk= 880, nxpk= 20, iat= 274, 281, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 CYS  HN           43 LEU  HG          6.00    (#    881:20  Unique         4.26, 4.65 A)
 &rst
  ixpk= 881, nxpk= 20, iat= 712, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   64 VAL  HN           62 LEU  MDY         5.00    (#    882:20  Unique         3.35, 5.75 A)
 &rst
  ixpk= 882, nxpk= 20, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   58 TYR  HD           62 LEU  MDY         4.00    (#    883:20  Unique         2.06, 6.49 A)
 &rst
  ixpk= 883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 949, 958,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#  141 ASN  HN          142 ARG  HG-         6.00    (#    884:20  Unique         5.83, 6.74 A)
 &rst
  ixpk= 884, nxpk= 20, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2252,2253,
 &end
#
#  142 ARG  HN            0 AMB  20-1:885    4.00    (#    885:20  Single Ambig)
 &rst
  ixpk= 885, nxpk= 20, iat=2245,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=2252,2253,2252,2253,
 &end
#
#    0 AMB  20-2:886    144 LEU  HG          5.00    (#    886:20  Single Ambig)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1,2292, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2304,2314,
 &end
#
#    0 AMB  20-2:888    144 LEU  HG          6.00    (#    888:20  Single Ambig)
 &rst
  ixpk= 888, nxpk= 20, iat=  -1,2292, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2329,2343,
 &end
#
#   28 GLY  HN           27 ILE  HG1-        6.00    (#    889:20  Unique         4.12, 4.71 A)
 &rst
  ixpk= 889, nxpk= 20, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 444, 445,
 &end
#
#   27 ILE  HN           27 ILE  HG1-        4.00    (#    890:20  Unique         1.94, 2.23 A)
 &rst
  ixpk= 890, nxpk= 20, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 444, 445,
 &end
#
#   43 LEU  HN           43 LEU  HG          4.00    (#    891:20  Unique         1.92, 2.41 A)
 &rst
  ixpk= 891, nxpk= 20, iat= 693, 700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  106 PHE  HE            8 PRO  HG+         6.00    (#    892:20  Unique         1.99, 6.80 A)
 &rst
  ixpk= 892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1675,1679,
 igr2= 138, 139,
 &end
#
#   27 ILE  HN           27 ILE  HG1+        5.00    (#    893:20  Unique         1.94, 2.23 A)
 &rst
  ixpk= 893, nxpk= 20, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 444, 445,
 &end
#
#   33 LEU  HN           62 LEU  MDY         6.00    (#    894:20  Unique         2.97, 5.13 A)
 &rst
  ixpk= 894, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   54 PHE  HE           62 LEU  MDY         4.00    (#    895:20  Unique         1.99, 5.07 A)
 &rst
  ixpk= 895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 873, 877,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#  143 VAL  HN            0 AMB  20-1:896    4.00    (#    896:20  Single Ambig)
 &rst
  ixpk= 896, nxpk= 20, iat=2269,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=2252,2253,2252,2253,
 &end
#
#   26 LEU  HN           26 LEU  MDY         5.00    (#    897:20  Unique         3.66, 4.86 A)
 &rst
  ixpk= 897, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   27 ILE  HN           26 LEU  MDY         6.00    (#    898:20  Unique         4.47, 5.87 A)
 &rst
  ixpk= 898, nxpk= 20, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   62 LEU  HN           62 LEU  MDY         5.00    (#    899:20  Unique         1.91, 4.58 A)
 &rst
  ixpk= 899, nxpk= 20, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   63 ASN  HN           62 LEU  MDY         5.00    (#    900:20  Unique         2.05, 4.49 A)
 &rst
  ixpk= 900, nxpk= 20, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   76 LEU  HN           76 LEU  HG          4.00    (#    901:20  Unique         2.92, 3.45 A)
 &rst
  ixpk= 901, nxpk= 20, iat=1221,1228, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 PHE  HE          136 LEU  HG          5.00    (#    902:20  Unique         2.63, 5.36 A)
 &rst
  ixpk= 902, nxpk= 20, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 873, 877,
 &end
#
#    0 AMB  20-2:903    102 LEU  HG          5.00    (#    903:20  Single Ambig)
 &rst
  ixpk= 903, nxpk= 20, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1675,1679,1673,1681,
 &end
#
#  136 LEU  HN          136 LEU  HG          5.00    (#    904:20  Unique         3.47, 4.28 A)
 &rst
  ixpk= 904, nxpk= 20, iat=2135,2142, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ASN  HN           62 LEU  HG          6.00    (#    906:20  Unique         2.36, 3.52 A)
 &rst
  ixpk= 906, nxpk= 20, iat=1027,1015, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 ILE  HN           90 ILE  HG1-        5.00    (#    907:20  Unique         1.87, 2.32 A)
 &rst
  ixpk= 907, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1439,1440,
 &end
#
#   54 PHE  HE          136 LEU  HG          6.00    (#    908:20  Unique         2.63, 5.36 A)
 &rst
  ixpk= 908, nxpk= 20, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 873, 877,
 &end
#
#   23 ARG  HN           10 LEU  MDX         5.00    (#    909:20  Unique         2.15, 5.06 A)
 &rst
  ixpk= 909, nxpk= 20, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   10 LEU  HN           10 LEU  MDX         5.00    (#    910:20  Unique         1.93, 4.02 A)
 &rst
  ixpk= 910, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   95 PHE  HE           10 LEU  MDX         5.00    (#    912:20  Unique         4.12, 7.59 A)
 &rst
  ixpk= 912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1522,1526,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   34 ILE  HN           33 LEU  MDX         6.00    (#    913:20  Unique         2.35, 4.65 A)
 &rst
  ixpk= 913, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#    0 AMB  20-2:915     33 LEU  MDX         5.00    (#    915:20  Single Ambig)
 &rst
  ixpk= 915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1057, 563,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  HA           33 LEU  MDX         5.00    (#    918:20  Unique         2.11, 3.86 A)
 &rst
  ixpk= 918, nxpk= 20, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   64 VAL  HA           33 LEU  MDX         6.00    (#    919:20  Unique         3.15, 5.24 A)
 &rst
  ixpk= 919, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#    4 ARG  HN          123 LEU  MDX         5.00    (#    920:20  Unique         2.29, 5.37 A)
 &rst
  ixpk= 920, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  123 LEU  HN          123 LEU  MDX         5.00    (#    921:20  Unique         3.82, 4.99 A)
 &rst
  ixpk= 921, nxpk= 20, iat=1940,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  117 PHE  HE          123 LEU  MDX         4.00    (#    922:20  Unique         1.96, 4.57 A)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1858,1862,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#   92 GLN  HN           92 GLN  HB-         5.00    (#    923:20  Unique         2.14, 2.93 A)
 &rst
  ixpk= 923, nxpk= 20, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1466,1467,
 &end
#
#   33 LEU  HN           33 LEU  MDX         5.00    (#    924:20  Unique         4.01, 5.41 A)
 &rst
  ixpk= 924, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#    5 GLN  HN          123 LEU  MDX         5.00    (#    926:20  Unique         2.18, 4.62 A)
 &rst
  ixpk= 926, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  144 LEU  HN          144 LEU  MDY         5.00    (#    927:20  Unique         3.44, 4.24 A)
 &rst
  ixpk= 927, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#   58 TYR  HE          144 LEU  MDY         5.00    (#    928:20  Unique         4.47, 7.81 A)
 &rst
  ixpk= 928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 951, 956,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#   26 LEU  HN           26 LEU  HG          5.00    (#    929:20  Unique         2.51, 3.41 A)
 &rst
  ixpk= 929, nxpk= 20, iat= 415, 422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:932     33 LEU  MDX         6.00    (#    932:20  Single Ambig)
 &rst
  ixpk= 932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1057, 563,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  145 ALA  HN          144 LEU  MDY         5.00    (#    933:20  Unique         4.46, 5.69 A)
 &rst
  ixpk= 933, nxpk= 20, iat=2304,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#   61 GLN  HE2-        144 LEU  MDY         5.00    (#    934:20  Unique         4.94, 7.14 A)
 &rst
  ixpk= 934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1003,1004,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#  139 ARG  HN          139 ARG  HG+         4.00    (#    936:20  Unique         2.68, 4.02 A)
 &rst
  ixpk= 936, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2198,2199,
 &end
#
#   17 LEU  HN           17 LEU  MDX         5.00    (#    937:20  Unique         3.04, 4.70 A)
 &rst
  ixpk= 937, 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    (#    938:20  Unique         2.74, 4.59 A)
 &rst
  ixpk= 938, 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
#
#  139 ARG  HN          136 LEU  MDY         5.00    (#    940:20  Unique         3.68, 5.73 A)
 &rst
  ixpk= 940, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#   76 LEU  HN           76 LEU  MDY         4.00    (#    941:20  Unique         2.67, 4.75 A)
 &rst
  ixpk= 941, nxpk= 20, iat=1221,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1230,1231,1232,1234,1235,1236,
 &end
#
#    0 AMB  20-2:942      0 AMB  20-1:942    6.00    (#    942:20  Double Ambig)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1209, 760,
 igr2=1230,1231,1232,1234,1235,1236, 702, 703, 704, 706,
       707, 708,
 &end
#
#   43 LEU  HN           43 LEU  MDY         5.00    (#    943:20  Unique         1.89, 3.90 A)
 &rst
  ixpk= 943, nxpk= 20, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#  136 LEU  HN          136 LEU  MDY         5.00    (#    946:20  Unique         3.51, 5.06 A)
 &rst
  ixpk= 946, nxpk= 20, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#   83 GLU  HN           80 LYS  HG-         6.00    (#    947:20  Unique         5.22, 5.99 A)
 &rst
  ixpk= 947, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1280,1281,
 &end
#
#   77 ASP  HN           76 LEU  MDY         5.00    (#    948:20  Unique         2.21, 5.03 A)
 &rst
  ixpk= 948, nxpk= 20, iat=1240,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1230,1231,1232,1234,1235,1236,
 &end
#
#    0 AMB  20-2:949      0 AMB  20-1:949    4.00    (#    949:20  Double Ambig)
 &rst
  ixpk= 949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 813, 814, 873, 877,
 igr2=2106,2107,2144,2145,2146,2148,2149,2150,
 &end
#
#   36 PHE  HN          113 ALA  MB          5.00    (#    950:20  Unique         2.49, 3.85 A)
 &rst
  ixpk= 950, nxpk= 20, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1784,1785,1786,
 &end
#
#   82 LYS  HN           82 LYS  HG+         5.00    (#    951:20  Unique         2.60, 4.08 A)
 &rst
  ixpk= 951, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1321,1322,
 &end
#
#    0 AMB  20-2:952      0 AMB  20-1:952    4.00    (#    952:20  Double Ambig)
 &rst
  ixpk= 952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=2169,1273,
 igr2=2176,2177,1280,1281,
 &end
#
#    0 AMB  20-2:954      0 AMB  20-1:954    4.00    (#    954:20  Double Ambig)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=2169,1273,
 igr2=2176,2177,1280,1281,
 &end
#
#    4 ARG  HN            3 LEU  MDX         5.00    (#    955:20  Unique         3.92, 5.35 A)
 &rst
  ixpk= 955, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   75 ASP  HN           76 LEU  MDY         6.00    (#    956:20  Unique         4.35, 6.72 A)
 &rst
  ixpk= 956, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1230,1231,1232,1234,1235,1236,
 &end
#
#  114 TYR  HN          113 ALA  MB          4.00    (#    958:20  Unique         2.54, 3.55 A)
 &rst
  ixpk= 958, nxpk= 20, iat=1790,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1784,1785,1786,
 &end
#
#  113 ALA  HN          113 ALA  MB          4.00    (#    959:20  Unique         2.81, 3.47 A)
 &rst
  ixpk= 959, nxpk= 20, iat=1780,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1784,1785,1786,
 &end
#
#  126 PHE  HZ          113 ALA  MB          4.00    (#    960:20  Unique         3.31, 4.54 A)
 &rst
  ixpk= 960, nxpk= 20, iat=2012,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1784,1785,1786,
 &end
#
#  126 PHE  HE          113 ALA  MB          4.00    (#    961:20  Unique         1.95, 4.75 A)
 &rst
  ixpk= 961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2010,2014,
 igr2=1784,1785,1786,
 &end
#
#  115 TYR  HE          113 ALA  MB          4.00    (#    963:20  Unique         1.94, 5.01 A)
 &rst
  ixpk= 963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1821,1826,
 igr2=1784,1785,1786,
 &end
#
#   39 ILE  HN           39 ILE  HG1+        5.00    (#    965:20  Unique         2.13, 2.72 A)
 &rst
  ixpk= 965, nxpk= 20, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 645, 646,
 &end
#
#   34 ILE  HN           33 LEU  MDY         4.00    (#    966:20  Unique         2.35, 4.65 A)
 &rst
  ixpk= 966, 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
#
#   33 LEU  HN           33 LEU  MDY         5.00    (#    967:20  Unique         4.01, 5.41 A)
 &rst
  ixpk= 967, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  115 TYR  HN           33 LEU  MDY         5.00    (#    968:20  Unique         2.45, 4.75 A)
 &rst
  ixpk= 968, nxpk= 20, iat=1811,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   54 PHE  HE           33 LEU  MDY         5.00    (#    969:20  Unique         1.90, 4.97 A)
 &rst
  ixpk= 969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 873, 877,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   35 HIS  HD2          33 LEU  MDY         5.00    (#    970:20  Unique         3.76, 6.07 A)
 &rst
  ixpk= 970, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  HA           33 LEU  MDY         4.00    (#    971:20  Unique         2.11, 3.86 A)
 &rst
  ixpk= 971, nxpk= 20, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  114 TYR  HA           33 LEU  MDY         5.00    (#    972:20  Unique         3.36, 5.16 A)
 &rst
  ixpk= 972, nxpk= 20, iat=1792,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  116 VAL  HA           33 LEU  MDY         5.00    (#    973:20  Unique         2.07, 4.62 A)
 &rst
  ixpk= 973, nxpk= 20, iat=1834,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#    3 LEU  HN            3 LEU  MDX         4.00    (#    974:20  Unique         1.92, 4.23 A)
 &rst
  ixpk= 974, 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
#
#   40 SER  HN           39 ILE  HG1-        5.00    (#    976:20  Unique         2.85, 3.38 A)
 &rst
  ixpk= 976, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 645, 646,
 &end
#
#   35 HIS  HN           33 LEU  MDY         6.00    (#    977:20  Unique         3.25, 5.71 A)
 &rst
  ixpk= 977, nxpk= 20, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  114 TYR  HD           33 LEU  MDY         5.00    (#    978:20  Unique         1.98, 5.87 A)
 &rst
  ixpk= 978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1798,1807,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   35 HIS  HA           33 LEU  MDY         6.00    (#    979:20  Unique         3.83, 6.06 A)
 &rst
  ixpk= 979, nxpk= 20, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  113 ALA  HN            0 AMB  20-1:981    6.00    (#    981:20  Single Ambig)
 &rst
  ixpk= 981, nxpk= 20, iat=1780,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1770,1771,1770,1771,
 &end
#
#  129 GLY  HN            0 AMB  20-1:982    5.00    (#    982:20  Single Ambig)
 &rst
  ixpk= 982, nxpk= 20, iat=2047,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1770,1771,1770,1771,
 &end
#
#    3 LEU  HN            2 LYS  HG-         5.00    (#    983:20  Unique         2.49, 4.51 A)
 &rst
  ixpk= 983, nxpk= 20, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  28,  29,
 &end
#
#    2 LYS  HN            2 LYS  HG-         3.00    (#    984:20  Unique         2.21, 3.07 A)
 &rst
  ixpk= 984, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  28,  29,
 &end
#
#   57 LYS  HN           57 LYS  HG+         5.00    (#    985:20  Unique         2.79, 4.18 A)
 &rst
  ixpk= 985, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 926, 927,
 &end
#
#   30 LYS  HN           30 LYS  HG+         5.00    (#    986:20  Unique         2.21, 3.34 A)
 &rst
  ixpk= 986, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 482, 483,
 &end
#
#   58 TYR  HN           57 LYS  HG-         6.00    (#    987:20  Unique         4.21, 4.64 A)
 &rst
  ixpk= 987, nxpk= 20, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 926, 927,
 &end
#
#   15 ALA  HN           14 LYS  HG+         5.00    (#    988:20  Unique         1.93, 2.72 A)
 &rst
  ixpk= 988, nxpk= 20, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 225, 226,
 &end
#
#   57 LYS  HN           57 LYS  HG-         5.00    (#    989:20  Unique         2.79, 4.18 A)
 &rst
  ixpk= 989, nxpk= 20, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 926, 927,
 &end
#
#   58 TYR  HN           57 LYS  HG+         6.00    (#    990:20  Unique         4.21, 4.64 A)
 &rst
  ixpk= 990, nxpk= 20, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 926, 927,
 &end
#
#   61 GLN  HE2-        144 LEU  MDX         6.00    (#    991:20  Unique         4.94, 7.14 A)
 &rst
  ixpk= 991, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1003,1004,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#  144 LEU  HN          144 LEU  MDX         4.00    (#    992:20  Unique         3.44, 4.24 A)
 &rst
  ixpk= 992, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:993      0 AMB  20-1:993    4.00    (#    993:20  Double Ambig)
 &rst
  ixpk= 993, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=2215, 163,
 igr2=2221,2222,2223,2225,2226,2227,1619,1620,1621,1623,
      1624,1625,
 &end
#
#  116 VAL  HN          123 LEU  MDY         5.00    (#    994:20  Unique         2.90, 4.81 A)
 &rst
  ixpk= 994, nxpk= 20, iat=1832,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  124 ARG  HN          123 LEU  MDY         4.00    (#    997:20  Unique         1.91, 4.26 A)
 &rst
  ixpk= 997, nxpk= 20, iat=1959,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  125 HIS  HN          123 LEU  MDY         4.00    (#    998:20  Unique         1.95, 4.54 A)
 &rst
  ixpk= 998, nxpk= 20, iat=1983,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  117 PHE  HE          123 LEU  MDY         4.00    (#    999:20  Unique         1.96, 4.57 A)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1858,1862,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  20-2:1000   123 LEU  MDY         5.00    (#   1000:20  Single Ambig)
 &rst
  ixpk= 1000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1850,2002,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  20-2:1001   123 LEU  MDY         5.00    (#   1001:20  Single Ambig)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1813,1834,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  119 LYS  HN          119 LYS  HG+         5.00    (#   1002:20  Unique         2.30, 2.89 A)
 &rst
  ixpk= 1002, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1887,1888,
 &end
#
#  119 LYS  HN          119 LYS  HG-         5.00    (#   1003:20  Unique         2.30, 2.89 A)
 &rst
  ixpk= 1003, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1887,1888,
 &end
#
#    0 AMB  20-2:1004   144 LEU  MDX         5.00    (#   1004:20  Single Ambig)
 &rst
  ixpk= 1004, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2304,2314,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#   61 GLN  HE2-        144 LEU  MDX         6.00    (#   1005:20  Unique         4.94, 7.14 A)
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1003,1004,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:1006     0 AMB  20-1:1006   6.00    (#   1006:20  Double Ambig)
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1729,1685,
 igr2=1756,1757,1758,1760,1761,1762,1619,1620,1621,1623,
      1624,1625,
 &end
#
#   58 TYR  HD            0 AMB  20-1:1007   3.00    (#   1007:20  Single Ambig)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 949, 958,
 igr2=2221,2222,2223,2225,2226,2227,1017,1018,1019,1021,
      1022,1023,
 &end
#
#   54 PHE  HE            0 AMB  20-1:1008   3.00    (#   1008:20  Single Ambig)
 &rst
  ixpk= 1008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 873, 877,
 igr2=2221,2222,2223,2225,2226,2227,1017,1018,1019,1021,
      1022,1023,
 &end
#
#   54 PHE  HE          136 LEU  MDX         5.00    (#   1011:20  Unique         2.04, 5.58 A)
 &rst
  ixpk= 1011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 873, 877,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#  126 PHE  HD          123 LEU  MDY         5.00    (#   1012:20  Unique         4.74, 6.60 A)
 &rst
  ixpk= 1012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2008,2016,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  123 LEU  HN          123 LEU  MDY         6.00    (#   1013:20  Unique         3.82, 4.99 A)
 &rst
  ixpk= 1013, nxpk= 20, iat=1940,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  20-2:1014   123 LEU  MDY         6.00    (#   1014:20  Single Ambig)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 117,1868,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#   33 LEU  HN           62 LEU  MDX         5.00    (#   1015:20  Unique         2.97, 5.13 A)
 &rst
  ixpk= 1015, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   32 THR  HA           62 LEU  MDX         5.00    (#   1016:20  Unique         2.43, 5.12 A)
 &rst
  ixpk= 1016, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   52 ASN  HN           51 VAL  MGY         5.00    (#   1018:20  Unique         2.04, 4.23 A)
 &rst
  ixpk= 1018, nxpk= 20, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#    0 AMB  20-2:1019     0 AMB  20-1:1019   3.00    (#   1019:20  Double Ambig)
 &rst
  ixpk= 1019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1240, 818,
 igr2=1230,1231,1232,1234,1235,1236, 824, 825, 826, 828,
       829, 830,
 &end
#
#    0 AMB  20-2:1020     0 AMB  20-1:1020   4.00    (#   1020:20  Double Ambig)
 &rst
  ixpk= 1020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1209, 770, 801, 760,
 igr2=1230,1231,1232,1234,1235,1236, 824, 825, 826, 828,
       829, 830,
 &end
#
#   42 HIS  HD2          43 LEU  MDX         4.00    (#   1021:20  Unique         2.48, 4.96 A)
 &rst
  ixpk= 1021, nxpk= 20, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   46 GLU  HN           43 LEU  MDX         5.00    (#   1023:20  Unique         4.80, 6.73 A)
 &rst
  ixpk= 1023, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   63 ASN  HN           62 LEU  MDX         4.00    (#   1024:20  Unique         2.05, 4.49 A)
 &rst
  ixpk= 1024, nxpk= 20, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#  111 VAL  HN          111 VAL  MGX         5.00    (#   1025:20  Unique         2.38, 4.21 A)
 &rst
  ixpk= 1025, nxpk= 20, iat=1750,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#  110 TYR  HN          111 VAL  MGX         5.00    (#   1026:20  Unique         2.66, 5.28 A)
 &rst
  ixpk= 1026, nxpk= 20, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#  108 ASN  HD2-        111 VAL  MGX         4.00    (#   1027:20  Unique         1.95, 4.97 A)
 &rst
  ixpk= 1027, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1709,1710,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   37 TRP  HA          111 VAL  MGX         5.00    (#   1029:20  Unique         1.97, 3.91 A)
 &rst
  ixpk= 1029, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   10 LEU  HN           10 LEU  MDY         5.00    (#   1030:20  Unique         1.93, 4.02 A)
 &rst
  ixpk= 1030, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   11 THR  HN           10 LEU  MDY         5.00    (#   1031:20  Unique         4.00, 5.89 A)
 &rst
  ixpk= 1031, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   95 PHE  HE           10 LEU  MDY         5.00    (#   1032:20  Unique         4.12, 7.59 A)
 &rst
  ixpk= 1032, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1522,1526,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#  125 HIS  HD2         136 LEU  MDX         5.00    (#   1034:20  Unique         2.97, 6.53 A)
 &rst
  ixpk= 1034, nxpk= 20, iat=1996,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#   37 TRP  HN          111 VAL  MGX         6.00    (#   1037:20  Unique         2.61, 5.05 A)
 &rst
  ixpk= 1037, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   43 LEU  HN           43 LEU  MDX         5.00    (#   1038:20  Unique         1.89, 3.90 A)
 &rst
  ixpk= 1038, nxpk= 20, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   82 LYS  HN           17 LEU  MDY         5.00    (#   1039:20  Unique         2.74, 4.59 A)
 &rst
  ixpk= 1039, 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
#
#   35 HIS  HD2          64 VAL  MGY         4.00    (#   1041:20  Unique         3.57, 6.08 A)
 &rst
  ixpk= 1041, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  20-2:1043    64 VAL  MGY         5.00    (#   1043:20  Single Ambig)
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 546, 527,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   17 LEU  HN            0 AMB  20-1:1044   5.00    (#   1044:20  Single Ambig)
 &rst
  ixpk= 1044, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2= 283, 284, 285, 287, 288, 289,1538,1539,1540,1542,
      1543,1544,
 &end
#
#   92 GLN  HE2+         64 VAL  MGY         5.00    (#   1045:20  Unique         2.11, 5.49 A)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1474,1475,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   33 LEU  HN           64 VAL  MGY         5.00    (#   1046:20  Unique         4.27, 5.67 A)
 &rst
  ixpk= 1046, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   65 VAL  HN           64 VAL  MGY         4.00    (#   1047:20  Unique         2.24, 4.30 A)
 &rst
  ixpk= 1047, nxpk= 20, iat=1057,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   64 VAL  HN           64 VAL  MGY         5.00    (#   1048:20  Unique         2.07, 3.74 A)
 &rst
  ixpk= 1048, nxpk= 20, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   92 GLN  HE2-         64 VAL  MGY         5.00    (#   1049:20  Unique         2.11, 5.49 A)
 &rst
  ixpk= 1049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1474,1475,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   55 ARG  HE           64 VAL  MGY         5.00    (#   1050:20  Unique         4.41, 6.22 A)
 &rst
  ixpk= 1050, nxpk= 20, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   64 VAL  HA           64 VAL  MGY         4.00    (#   1051:20  Unique         2.01, 3.15 A)
 &rst
  ixpk= 1051, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   34 ILE  HN           32 THR  MG2         6.00    (#   1053:20  Unique         3.53, 4.64 A)
 &rst
  ixpk= 1053, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 517, 518, 519,
 &end
#
#   33 LEU  HN           32 THR  MG2         4.00    (#   1054:20  Unique         1.96, 3.08 A)
 &rst
  ixpk= 1054, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 517, 518, 519,
 &end
#
#   32 THR  HG1          32 THR  MG2         5.00    (#   1055:20  Unique         2.51, 3.28 A)
 &rst
  ixpk= 1055, nxpk= 20, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 517, 518, 519,
 &end
#
#    0 AMB  20-2:1056    32 THR  MG2         5.00    (#   1056:20  Single Ambig)
 &rst
  ixpk= 1056, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 527, 546,
 igr2= 517, 518, 519,
 &end
#
#   32 THR  HA           32 THR  MG2         4.00    (#   1057:20  Unique         2.49, 3.34 A)
 &rst
  ixpk= 1057, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 517, 518, 519,
 &end
#
#    0 AMB  20-2:1058    32 THR  MG2         6.00    (#   1058:20  Single Ambig)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1834,1029,
 igr2= 517, 518, 519,
 &end
#
#  142 ARG  HN          143 VAL  MGX         5.00    (#   1059:20  Unique         4.80, 6.10 A)
 &rst
  ixpk= 1059, nxpk= 20, iat=2245,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  143 VAL  HN          143 VAL  MGX         3.00    (#   1060:20  Unique         2.89, 3.96 A)
 &rst
  ixpk= 1060, nxpk= 20, iat=2269,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  144 LEU  HN          143 VAL  MGX         5.00    (#   1061:20  Unique         2.33, 4.55 A)
 &rst
  ixpk= 1061, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  111 VAL  HN          128 ALA  MB          6.00    (#   1062:20  Unique         3.87, 5.21 A)
 &rst
  ixpk= 1062, nxpk= 20, iat=1750,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=2041,2042,2043,
 &end
#
#  110 TYR  HE          128 ALA  MB          6.00    (#   1063:20  Unique         5.60, 7.23 A)
 &rst
  ixpk= 1063, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1739,1744,
 igr2=2041,2042,2043,
 &end
#
#  114 TYR  HN          128 ALA  MB          5.00    (#   1064:20  Unique         2.58, 4.08 A)
 &rst
  ixpk= 1064, nxpk= 20, iat=1790,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=2041,2042,2043,
 &end
#
#  128 ALA  HN          128 ALA  MB          4.00    (#   1065:20  Unique         2.51, 3.24 A)
 &rst
  ixpk= 1065, nxpk= 20, iat=2037,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=2041,2042,2043,
 &end
#
#  129 GLY  HN          128 ALA  MB          4.00    (#   1066:20  Unique         3.04, 3.87 A)
 &rst
  ixpk= 1066, nxpk= 20, iat=2047,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=2041,2042,2043,
 &end
#
#  126 PHE  HZ          128 ALA  MB          4.00    (#   1067:20  Unique         2.14, 3.57 A)
 &rst
  ixpk= 1067, nxpk= 20, iat=2012,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=2041,2042,2043,
 &end
#
#  126 PHE  HE          128 ALA  MB          4.00    (#   1068:20  Unique         1.98, 4.25 A)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2010,2014,
 igr2=2041,2042,2043,
 &end
#
#    0 AMB  20-2:1069   120 THR  MG2         4.00    (#   1069:20  Single Ambig)
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1916,1868,
 igr2=1908,1909,1910,
 &end
#
#  104 ASP  HN          103 THR  MG2         5.00    (#   1070:20  Unique         3.98, 5.01 A)
 &rst
  ixpk= 1070, nxpk= 20, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1635,1636,1637,
 &end
#
#  124 ARG  HN            3 LEU  MDY         5.00    (#   1077:20  Unique         3.87, 6.53 A)
 &rst
  ixpk= 1077, nxpk= 20, iat=1959,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   85 ALA  HN           84 THR  MG2         5.00    (#   1078:20  Unique         2.95, 3.91 A)
 &rst
  ixpk= 1078, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1357,1358,1359,
 &end
#
#   84 THR  HN           84 THR  MG2         5.00    (#   1079:20  Unique         3.79, 4.33 A)
 &rst
  ixpk= 1079, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1357,1358,1359,
 &end
#
#   40 SER  HN           84 THR  MG2         6.00    (#   1080:20  Unique         6.40, 7.42 A)
 &rst
  ixpk= 1080, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1357,1358,1359,
 &end
#
#   88 HIS  HE1          84 THR  MG2         4.00    (#   1082:20  Unique         2.33, 4.24 A)
 &rst
  ixpk= 1082, nxpk= 20, iat=1410,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1357,1358,1359,
 &end
#
#   37 TRP  HZ3          84 THR  MG2         4.00    (#   1083:20  Unique         2.42, 4.06 A)
 &rst
  ixpk= 1083, nxpk= 20, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1357,1358,1359,
 &end
#
#   88 HIS  HD2          84 THR  MG2         4.00    (#   1084:20  Unique         1.97, 3.27 A)
 &rst
  ixpk= 1084, nxpk= 20, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1357,1358,1359,
 &end
#
#   92 GLN  HE2-         66 ALA  MB          6.00    (#   1085:20  Unique         1.84, 3.29 A)
 &rst
  ixpk= 1085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1474,1475,
 igr2=1077,1078,1079,
 &end
#
#  102 LEU  HN          103 THR  MG2         6.00    (#   1086:20  Unique         3.81, 6.26 A)
 &rst
  ixpk= 1086, nxpk= 20, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1635,1636,1637,
 &end
#
#  103 THR  HN          103 THR  MG2         5.00    (#   1087:20  Unique         1.88, 3.85 A)
 &rst
  ixpk= 1087, nxpk= 20, iat=1629,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1635,1636,1637,
 &end
#
#  108 ASN  HN          103 THR  MG2         4.00    (#   1088:20  Unique         2.03, 3.64 A)
 &rst
  ixpk= 1088, nxpk= 20, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1635,1636,1637,
 &end
#
#    4 ARG  HN            3 LEU  MDY         5.00    (#   1092:20  Unique         3.92, 5.35 A)
 &rst
  ixpk= 1092, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    3 LEU  HN            3 LEU  MDY         4.00    (#   1093:20  Unique         1.92, 4.23 A)
 &rst
  ixpk= 1093, 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
#
#    5 GLN  HN            3 LEU  MDY         5.00    (#   1094:20  Unique         4.83, 6.90 A)
 &rst
  ixpk= 1094, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#  125 HIS  HN            3 LEU  MDY         5.00    (#   1095:20  Unique         3.22, 5.96 A)
 &rst
  ixpk= 1095, nxpk= 20, iat=1983,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#  126 PHE  HN            3 LEU  MDY         5.00    (#   1096:20  Unique         3.13, 5.68 A)
 &rst
  ixpk= 1096, nxpk= 20, iat=2000,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   87 GLU  HN           84 THR  MG2         5.00    (#   1097:20  Unique         4.86, 5.71 A)
 &rst
  ixpk= 1097, nxpk= 20, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1357,1358,1359,
 &end
#
#   92 GLN  HE2+         66 ALA  MB          5.00    (#   1098:20  Unique         1.84, 3.29 A)
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1474,1475,
 igr2=1077,1078,1079,
 &end
#
#   95 PHE  HN           66 ALA  MB          6.00    (#   1099:20  Unique         3.21, 4.72 A)
 &rst
  ixpk= 1099, nxpk= 20, iat=1512,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1077,1078,1079,
 &end
#
#   66 ALA  HN           66 ALA  MB          3.00    (#   1100:20  Unique         2.12, 2.98 A)
 &rst
  ixpk= 1100, nxpk= 20, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1077,1078,1079,
 &end
#
#   37 TRP  HZ2          66 ALA  MB          4.00    (#   1101:20  Unique         1.94, 3.23 A)
 &rst
  ixpk= 1101, nxpk= 20, iat= 613,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1077,1078,1079,
 &end
#
#   94 ILE  HA           66 ALA  MB          4.00    (#   1105:20  Unique         2.00, 3.63 A)
 &rst
  ixpk= 1105, nxpk= 20, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1077,1078,1079,
 &end
#
#  120 THR  HN          120 THR  MG2         4.00    (#   1106:20  Unique         1.95, 2.91 A)
 &rst
  ixpk= 1106, nxpk= 20, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1908,1909,1910,
 &end
#
#    0 AMB  20-2:1107    65 VAL  MGX         3.00    (#   1107:20  Single Ambig)
 &rst
  ixpk= 1107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1057,1073,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   33 LEU  HN           64 VAL  MGX         5.00    (#   1108:20  Unique         4.27, 5.67 A)
 &rst
  ixpk= 1108, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   65 VAL  HN           64 VAL  MGX         4.00    (#   1109:20  Unique         2.24, 4.30 A)
 &rst
  ixpk= 1109, nxpk= 20, iat=1057,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   64 VAL  HN           64 VAL  MGX         4.00    (#   1110:20  Unique         2.07, 3.74 A)
 &rst
  ixpk= 1110, nxpk= 20, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   64 VAL  HA           64 VAL  MGX         4.00    (#   1111:20  Unique         2.01, 3.15 A)
 &rst
  ixpk= 1111, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   63 ASN  HA           64 VAL  MGX         6.00    (#   1112:20  Unique         3.27, 5.34 A)
 &rst
  ixpk= 1112, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   34 ILE  HA           65 VAL  MGX         6.00    (#   1114:20  Unique         1.89, 3.72 A)
 &rst
  ixpk= 1114, nxpk= 20, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   64 VAL  HA           65 VAL  MGX         5.00    (#   1115:20  Unique         3.08, 5.18 A)
 &rst
  ixpk= 1115, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   32 THR  HG1          26 LEU  MDX         5.00    (#   1116:20  Unique         2.06, 4.32 A)
 &rst
  ixpk= 1116, nxpk= 20, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   36 PHE  HE           67 VAL  MGY         4.00    (#   1117:20  Unique         1.98, 4.43 A)
 &rst
  ixpk= 1117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 590, 594,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:1118   120 THR  MG2         5.00    (#   1118:20  Single Ambig)
 &rst
  ixpk= 1118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1916,1868,
 igr2=1908,1909,1910,
 &end
#
#   55 ARG  HE           64 VAL  MGX         6.00    (#   1119:20  Unique         4.41, 6.22 A)
 &rst
  ixpk= 1119, nxpk= 20, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   32 THR  HA           26 LEU  MDX         6.00    (#   1120:20  Unique         3.06, 5.20 A)
 &rst
  ixpk= 1120, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   26 LEU  HN           26 LEU  MDX         5.00    (#   1121:20  Unique         3.66, 4.86 A)
 &rst
  ixpk= 1121, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:1122    26 LEU  MDX         5.00    (#   1122:20  Single Ambig)
 &rst
  ixpk= 1122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 345, 398,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   63 ASN  HD2-         26 LEU  MDX         4.00    (#   1123:20  Unique         3.29, 6.55 A)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1036,1037,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   63 ASN  HD2+         26 LEU  MDX         5.00    (#   1124:20  Unique         3.29, 6.55 A)
 &rst
  ixpk= 1124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1036,1037,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   63 ASN  HA           26 LEU  MDX         5.00    (#   1125:20  Unique         4.52, 6.89 A)
 &rst
  ixpk= 1125, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   67 VAL  HN           67 VAL  MGY         5.00    (#   1126:20  Unique         1.94, 4.05 A)
 &rst
  ixpk= 1126, nxpk= 20, iat=1083,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   95 PHE  HN           67 VAL  MGY         5.00    (#   1128:20  Unique         3.21, 5.09 A)
 &rst
  ixpk= 1128, nxpk= 20, iat=1512,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:1129    67 VAL  MGY         5.00    (#   1129:20  Single Ambig)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1099, 563,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   95 PHE  HE           67 VAL  MGY         5.00    (#   1130:20  Unique         2.00, 6.28 A)
 &rst
  ixpk= 1130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1522,1526,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   36 PHE  HA           67 VAL  MGY         5.00    (#   1133:20  Unique         2.00, 4.48 A)
 &rst
  ixpk= 1133, nxpk= 20, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   92 GLN  HN           91 THR  MG2         5.00    (#   1134:20  Unique         3.75, 4.61 A)
 &rst
  ixpk= 1134, nxpk= 20, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1454,1455,1456,
 &end
#
#    0 AMB  20-2:1135     0 AMB  20-1:1135   5.00    (#   1135:20  Double Ambig)
 &rst
  ixpk= 1135, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1008,1417,
 igr2=1047,1048,1049,1051,1052,1053,1454,1455,1456,
 &end
#
#    0 AMB  20-2:1136    91 THR  MG2         4.00    (#   1136:20  Single Ambig)
 &rst
  ixpk= 1136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 302, 303, 848,
 igr2=1454,1455,1456,
 &end
#
#  125 HIS  HD2         116 VAL  MGX         5.00    (#   1137:20  Unique         3.24, 5.33 A)
 &rst
  ixpk= 1137, nxpk= 20, iat=1996,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#    0 AMB  20-2:1139    21 VAL  MGX         5.00    (#   1139:20  Single Ambig)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 410, 411, 314,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   22 THR  HN           21 VAL  MGX         4.00    (#   1140:20  Unique         1.94, 3.92 A)
 &rst
  ixpk= 1140, 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
#
#   64 VAL  HN           26 LEU  MDX         5.00    (#   1143:20  Unique         4.25, 6.80 A)
 &rst
  ixpk= 1143, nxpk= 20, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:1144    26 LEU  MDX         5.00    (#   1144:20  Single Ambig)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1057,1027,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:1145   147 THR  MG2         5.00    (#   1145:20  Single Ambig)
 &rst
  ixpk= 1145, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2314,2304,
 igr2=2335,2336,2337,
 &end
#
#   23 ARG  HN           22 THR  MG2         5.00    (#   1146:20  Unique         1.97, 3.73 A)
 &rst
  ixpk= 1146, nxpk= 20, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 351, 352, 353,
 &end
#
#   82 LYS  HN           15 ALA  MB          5.00    (#   1147:20  Unique         5.50, 6.11 A)
 &rst
  ixpk= 1147, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 244, 245, 246,
 &end
#
#   91 THR  HN           91 THR  MG2         4.00    (#   1149:20  Unique         1.91, 2.99 A)
 &rst
  ixpk= 1149, nxpk= 20, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1454,1455,1456,
 &end
#
#   18 ASN  HD2-         91 THR  MG2         6.00    (#   1150:20  Unique         4.33, 5.69 A)
 &rst
  ixpk= 1150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 302, 303,
 igr2=1454,1455,1456,
 &end
#
#  119 LYS  HN          143 VAL  MGY         5.00    (#   1151:20  Unique         3.90, 5.96 A)
 &rst
  ixpk= 1151, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  118 ASP  HN          143 VAL  MGY         5.00    (#   1152:20  Unique         3.72, 5.41 A)
 &rst
  ixpk= 1152, nxpk= 20, iat=1868,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  144 LEU  HN          143 VAL  MGY         5.00    (#   1153:20  Unique         2.33, 4.55 A)
 &rst
  ixpk= 1153, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  116 VAL  HN          116 VAL  MGX         4.00    (#   1154:20  Unique         2.40, 4.04 A)
 &rst
  ixpk= 1154, nxpk= 20, iat=1832,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#    0 AMB  20-2:1155   116 VAL  MGX         6.00    (#   1155:20  Single Ambig)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2215,1868,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  125 HIS  HN          116 VAL  MGX         5.00    (#   1156:20  Unique         1.89, 4.80 A)
 &rst
  ixpk= 1156, nxpk= 20, iat=1983,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#   33 LEU  HA          116 VAL  MGX         5.00    (#   1157:20  Unique         3.64, 5.19 A)
 &rst
  ixpk= 1157, nxpk= 20, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#    0 AMB  20-2:1158     0 AMB  20-1:1158   4.00    (#   1158:20  Double Ambig)
 &rst
  ixpk= 1158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1834,1813,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#    0 AMB  20-2:1159   147 THR  MG2         4.00    (#   1159:20  Single Ambig)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2343,2329,
 igr2=2335,2336,2337,
 &end
#
#   22 THR  HN           22 THR  MG2         4.00    (#   1161:20  Unique         3.47, 4.40 A)
 &rst
  ixpk= 1161, nxpk= 20, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 351, 352, 353,
 &end
#
#   33 LEU  HA            0 AMB  20-1:1162   5.00    (#   1162:20  Single Ambig)
 &rst
  ixpk= 1162, nxpk= 20, iat= 527,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#   17 LEU  HN           96 VAL  MGY         5.00    (#   1163:20  Unique         3.82, 6.45 A)
 &rst
  ixpk= 1163, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   68 HIS  HN           96 VAL  MGY         5.00    (#   1164:20  Unique         2.63, 5.01 A)
 &rst
  ixpk= 1164, nxpk= 20, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   96 VAL  HN           96 VAL  MGY         4.00    (#   1165:20  Unique         1.95, 3.86 A)
 &rst
  ixpk= 1165, nxpk= 20, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   25 GLN  HE2+         21 VAL  MGX         6.00    (#   1166:20  Unique         2.85, 5.88 A)
 &rst
  ixpk= 1166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 410, 411,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#  100 HIS  HD2          96 VAL  MGY         5.00    (#   1167:20  Unique         5.08, 7.17 A)
 &rst
  ixpk= 1167, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#  118 ASP  HN          116 VAL  MGY         5.00    (#   1169:20  Unique         4.19, 6.62 A)
 &rst
  ixpk= 1169, nxpk= 20, iat=1868,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  125 HIS  HN          116 VAL  MGY         5.00    (#   1170:20  Unique         1.89, 4.80 A)
 &rst
  ixpk= 1170, nxpk= 20, iat=1983,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  140 VAL  HN          140 VAL  MGY         4.00    (#   1171:20  Unique         2.18, 3.92 A)
 &rst
  ixpk= 1171, nxpk= 20, iat=2215,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  141 ASN  HN          140 VAL  MGY         5.00    (#   1172:20  Unique         2.07, 4.34 A)
 &rst
  ixpk= 1172, nxpk= 20, iat=2231,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  144 LEU  HN          140 VAL  MGY         5.00    (#   1173:20  Unique         4.07, 6.28 A)
 &rst
  ixpk= 1173, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#   58 TYR  HD          140 VAL  MGY         5.00    (#   1174:20  Unique         1.98, 6.59 A)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 949, 958,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#   54 PHE  HE          140 VAL  MGY         5.00    (#   1175:20  Unique         1.97, 4.73 A)
 &rst
  ixpk= 1175, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 873, 877,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  117 PHE  HN          116 VAL  MGY         4.00    (#   1179:20  Unique         2.18, 4.09 A)
 &rst
  ixpk= 1179, nxpk= 20, iat=1848,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#    0 AMB  20-2:1180   116 VAL  MGY         4.00    (#   1180:20  Single Ambig)
 &rst
  ixpk= 1180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1834,1813,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  144 LEU  HN          116 VAL  MGY         5.00    (#   1181:20  Unique         5.28, 7.13 A)
 &rst
  ixpk= 1181, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  118 ASP  HN          116 VAL  MGY         5.00    (#   1182:20  Unique         4.19, 6.62 A)
 &rst
  ixpk= 1182, nxpk= 20, iat=1868,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#   22 THR  HN           21 VAL  MGY         5.00    (#   1187:20  Unique         1.94, 3.92 A)
 &rst
  ixpk= 1187, 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
#
#   10 LEU  HN           11 THR  MG2         5.00    (#   1189:20  Unique         3.23, 5.23 A)
 &rst
  ixpk= 1189, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 188, 189, 190,
 &end
#
#   95 PHE  HN           65 VAL  MGY         6.00    (#   1191:20  Unique         3.24, 6.03 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=1512,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   66 ALA  HN           65 VAL  MGY         4.00    (#   1192:20  Unique         2.15, 4.57 A)
 &rst
  ixpk= 1192, nxpk= 20, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   34 ILE  HA           65 VAL  MGY         6.00    (#   1194:20  Unique         1.89, 3.72 A)
 &rst
  ixpk= 1194, nxpk= 20, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   11 THR  HN           11 THR  MG2         5.00    (#   1195:20  Unique         1.92, 3.01 A)
 &rst
  ixpk= 1195, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 188, 189, 190,
 &end
#
#   11 THR  HA           11 THR  MG2         4.00    (#   1196:20  Unique         3.57, 3.94 A)
 &rst
  ixpk= 1196, nxpk= 20, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 188, 189, 190,
 &end
#
#   46 GLU  HN           47 ALA  MB          5.00    (#   1198:20  Unique         4.14, 5.22 A)
 &rst
  ixpk= 1198, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 764, 765, 766,
 &end
#
#   85 ALA  HN           39 ILE  QG2         6.00    (#   1199:20  Unique         4.51, 5.75 A)
 &rst
  ixpk= 1199, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 641, 642, 643,
 &end
#
#   52 ASN  HN           51 VAL  MGX         5.00    (#   1200:20  Unique         2.04, 4.23 A)
 &rst
  ixpk= 1200, nxpk= 20, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#   92 GLN  HE2+         51 VAL  MGX         5.00    (#   1201:20  Unique         1.93, 3.80 A)
 &rst
  ixpk= 1201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1474,1475,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#   47 ALA  HN           47 ALA  MB          3.00    (#   1202:20  Unique         2.03, 2.85 A)
 &rst
  ixpk= 1202, nxpk= 20, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 764, 765, 766,
 &end
#
#   51 VAL  HN           51 VAL  MGX         4.00    (#   1203:20  Unique         2.76, 3.96 A)
 &rst
  ixpk= 1203, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#   37 TRP  HD1          51 VAL  MGX         5.00    (#   1204:20  Unique         3.76, 6.24 A)
 &rst
  ixpk= 1204, nxpk= 20, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#   92 GLN  HE2-         51 VAL  MGX         5.00    (#   1205:20  Unique         1.93, 3.80 A)
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1474,1475,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#   37 TRP  HZ3          51 VAL  MGX         6.00    (#   1206:20  Unique         5.98, 7.73 A)
 &rst
  ixpk= 1206, nxpk= 20, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#   35 HIS  HD2          51 VAL  MGX         5.00    (#   1207:20  Unique         3.27, 5.27 A)
 &rst
  ixpk= 1207, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#    0 AMB  20-2:1209     0 AMB  20-1:1209   5.00    (#   1209:20  Double Ambig)
 &rst
  ixpk= 1209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 196, 834,1665,
 igr2=1604,1605,1606, 764, 765, 766,
 &end
#
#   85 ALA  HN           39 ILE  QG2         5.00    (#   1210:20  Unique         4.51, 5.75 A)
 &rst
  ixpk= 1210, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 641, 642, 643,
 &end
#
#   84 THR  HN           39 ILE  QG2         6.00    (#   1211:20  Unique         5.09, 6.23 A)
 &rst
  ixpk= 1211, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 641, 642, 643,
 &end
#
#   37 TRP  HZ3          39 ILE  QG2         4.00    (#   1212:20  Unique         2.51, 3.85 A)
 &rst
  ixpk= 1212, nxpk= 20, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 641, 642, 643,
 &end
#
#   88 HIS  HD2          39 ILE  QG2         5.00    (#   1213:20  Unique         3.84, 5.02 A)
 &rst
  ixpk= 1213, nxpk= 20, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 641, 642, 643,
 &end
#
#  102 LEU  HN          101 ALA  MB          4.00    (#   1214:20  Unique         1.99, 3.51 A)
 &rst
  ixpk= 1214, nxpk= 20, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1604,1605,1606,
 &end
#
#    0 AMB  20-2:1215   101 ALA  MB          5.00    (#   1215:20  Single Ambig)
 &rst
  ixpk= 1215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 148,1583,
 igr2=1604,1605,1606,
 &end
#
#  101 ALA  HN          101 ALA  MB          3.00    (#   1216:20  Unique         1.99, 2.80 A)
 &rst
  ixpk= 1216, nxpk= 20, iat=1600,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1604,1605,1606,
 &end
#
#   39 ILE  HN           39 ILE  QG2         4.00    (#   1217:20  Unique         1.92, 2.98 A)
 &rst
  ixpk= 1217, nxpk= 20, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 641, 642, 643,
 &end
#
#   40 SER  HN           39 ILE  QG2         5.00    (#   1218:20  Unique         4.40, 5.05 A)
 &rst
  ixpk= 1218, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 641, 642, 643,
 &end
#
#   95 PHE  HN           67 VAL  MGX         5.00    (#   1220:20  Unique         3.21, 5.09 A)
 &rst
  ixpk= 1220, nxpk= 20, iat=1512,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:1221    67 VAL  MGX         5.00    (#   1221:20  Single Ambig)
 &rst
  ixpk= 1221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1099, 563,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   67 VAL  HN           67 VAL  MGX         5.00    (#   1222:20  Unique         1.94, 4.05 A)
 &rst
  ixpk= 1222, nxpk= 20, iat=1083,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   95 PHE  HE           67 VAL  MGX         5.00    (#   1223:20  Unique         2.00, 6.28 A)
 &rst
  ixpk= 1223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1522,1526,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   36 PHE  HA           67 VAL  MGX         5.00    (#   1224:20  Unique         2.00, 4.48 A)
 &rst
  ixpk= 1224, nxpk= 20, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:1230   145 ALA  MB          3.00    (#   1230:20  Single Ambig)
 &rst
  ixpk= 1230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2304,2314,
 igr2=2308,2309,2310,
 &end
#
#   17 LEU  HN           94 ILE  QG2         6.00    (#   1231:20  Unique         3.76, 5.04 A)
 &rst
  ixpk= 1231, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1499,1500,1501,
 &end
#
#   94 ILE  HN           94 ILE  QG2         6.00    (#   1232:20  Unique         4.09, 4.57 A)
 &rst
  ixpk= 1232, nxpk= 20, iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1499,1500,1501,
 &end
#
#   95 PHE  HN           94 ILE  QG2         5.00    (#   1233:20  Unique         2.57, 3.74 A)
 &rst
  ixpk= 1233, nxpk= 20, iat=1512,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1499,1500,1501,
 &end
#
#   68 HIS  HN           94 ILE  QG2         5.00    (#   1234:20  Unique         3.05, 4.07 A)
 &rst
  ixpk= 1234, nxpk= 20, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1499,1500,1501,
 &end
#
#   94 ILE  HA           94 ILE  QG2         4.00    (#   1235:20  Unique         2.22, 3.08 A)
 &rst
  ixpk= 1235, nxpk= 20, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1499,1500,1501,
 &end
#
#  144 LEU  HN          145 ALA  MB          5.00    (#   1236:20  Unique         4.26, 5.23 A)
 &rst
  ixpk= 1236, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=2308,2309,2310,
 &end
#
#   37 TRP  HZ2          94 ILE  QG2         4.00    (#   1240:20  Unique         1.91, 3.52 A)
 &rst
  ixpk= 1240, nxpk= 20, iat= 613,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1499,1500,1501,
 &end
#
#  106 PHE  HN          105 ALA  MB          4.00    (#   1241:20  Unique         2.24, 3.41 A)
 &rst
  ixpk= 1241, nxpk= 20, iat=1665,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1659,1660,1661,
 &end
#
#  105 ALA  HN          105 ALA  MB          3.00    (#   1242:20  Unique         2.12, 2.95 A)
 &rst
  ixpk= 1242, nxpk= 20, iat=1655,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1659,1660,1661,
 &end
#
#  106 PHE  HD          105 ALA  MB          5.00    (#   1243:20  Unique         2.13, 6.02 A)
 &rst
  ixpk= 1243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1673,1681,
 igr2=1659,1660,1661,
 &end
#
#  111 VAL  HN          111 VAL  MGY         4.00    (#   1245:20  Unique         2.38, 4.21 A)
 &rst
  ixpk= 1245, nxpk= 20, iat=1750,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   37 TRP  HA          111 VAL  MGY         6.00    (#   1246:20  Unique         1.97, 3.91 A)
 &rst
  ixpk= 1246, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   85 ALA  HN           85 ALA  MB          4.00    (#   1247:20  Unique         2.04, 2.84 A)
 &rst
  ixpk= 1247, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1369,1370,1371,
 &end
#
#  111 VAL  HN           69 MET  ME          6.00    (#   1248:20  Unique         2.01, 5.98 A)
 &rst
  ixpk= 1248, nxpk= 20, iat=1750,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1127,1128,1129,
 &end
#
#   88 HIS  HD2          85 ALA  MB          4.00    (#   1249:20  Unique         3.36, 4.81 A)
 &rst
  ixpk= 1249, nxpk= 20, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1369,1370,1371,
 &end
#
#   90 ILE  HN           85 ALA  MB          5.00    (#   1250:20  Unique         3.66, 5.66 A)
 &rst
  ixpk= 1250, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1369,1370,1371,
 &end
#
#   84 THR  HN           85 ALA  MB          5.00    (#   1251:20  Unique         4.66, 5.56 A)
 &rst
  ixpk= 1251, nxpk= 20, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1369,1370,1371,
 &end
#
#   86 ALA  HN           85 ALA  MB          3.00    (#   1252:20  Unique         2.32, 3.56 A)
 &rst
  ixpk= 1252, nxpk= 20, iat=1375,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1369,1370,1371,
 &end
#
#   18 ASN  HD2-         85 ALA  MB          6.00    (#   1253:20  Unique         3.82, 5.92 A)
 &rst
  ixpk= 1253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 302, 303,
 igr2=1369,1370,1371,
 &end
#
#  108 ASN  HD2-         69 MET  ME          5.00    (#   1254:20  Unique         1.90, 3.30 A)
 &rst
  ixpk= 1254, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1709,1710,
 igr2=1127,1128,1129,
 &end
#
#   83 GLU  HN           86 ALA  MB          5.00    (#   1256:20  Unique         4.51, 5.25 A)
 &rst
  ixpk= 1256, nxpk= 20, iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1379,1380,1381,
 &end
#
#    0 AMB  20-2:1257   133 MET  ME          6.00    (#   1257:20  Single Ambig)
 &rst
  ixpk= 1257, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 818,2169,
 igr2=2090,2091,2092,
 &end
#
#    0 AMB  20-2:1258   133 MET  ME          5.00    (#   1258:20  Single Ambig)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2135, 813, 814,
 igr2=2090,2091,2092,
 &end
#
#   54 PHE  HE          133 MET  ME          5.00    (#   1259:20  Unique         2.37, 4.91 A)
 &rst
  ixpk= 1259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 873, 877,
 igr2=2090,2091,2092,
 &end
#
#   58 TYR  HE          133 MET  ME          6.00    (#   1261:20  Unique         5.04, 7.97 A)
 &rst
  ixpk= 1261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 951, 956,
 igr2=2090,2091,2092,
 &end
#
#   69 MET  HN           69 MET  ME          6.00    (#   1262:20  Unique         5.86, 6.60 A)
 &rst
  ixpk= 1262, nxpk= 20, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1127,1128,1129,
 &end
#
#   88 HIS  HN           86 ALA  MB          5.00    (#   1265:20  Unique         4.83, 5.52 A)
 &rst
  ixpk= 1265, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1379,1380,1381,
 &end
#
#   85 ALA  HN           86 ALA  MB          5.00    (#   1266:20  Unique         4.31, 5.13 A)
 &rst
  ixpk= 1266, nxpk= 20, iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1379,1380,1381,
 &end
#
#   86 ALA  HN           86 ALA  MB          3.00    (#   1267:20  Unique         2.21, 2.82 A)
 &rst
  ixpk= 1267, nxpk= 20, iat=1375,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1379,1380,1381,
 &end
#
#    0 AMB  20-2:1272     1 MET  ME          4.00    (#   1272:20  Single Ambig)
 &rst
  ixpk= 1272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1673,1681,1675,1679,
 igr2=  15,  16,  17,
 &end
#
#    2 LYS  HN            1 MET  ME          6.00    (#   1275:20  Unique         3.69, 5.95 A)
 &rst
  ixpk= 1275, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  15,  16,  17,
 &end
#
#    5 GLN  HE2-          1 MET  ME          4.00    (#   1276:20  Unique         1.91, 3.31 A)
 &rst
  ixpk= 1276, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  98,  99,
 igr2=  15,  16,  17,
 &end
#
#    5 GLN  HE2+          1 MET  ME          3.00    (#   1277:20  Unique         1.91, 3.31 A)
 &rst
  ixpk= 1277, 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
#
#   34 ILE  HN           34 ILE  QG2         6.00    (#   1280:20  Unique         4.33, 4.62 A)
 &rst
  ixpk= 1280, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 550, 551, 552,
 &end
#
#   34 ILE  HA           34 ILE  QG2         4.00    (#   1283:20  Unique         2.24, 3.06 A)
 &rst
  ixpk= 1283, nxpk= 20, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 550, 551, 552,
 &end
#
#    0 AMB  20-2:1284     0 AMB  20-1:1284   4.00    (#   1284:20  Double Ambig)
 &rst
  ixpk= 1284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 563,1365,
 igr2= 550, 551, 552,1301,1302,1303,
 &end
#
#    0 AMB  20-2:1285     0 AMB  20-1:1285   5.00    (#   1285:20  Double Ambig)
 &rst
  ixpk= 1285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1413, 608,
 igr2=1301,1302,1303, 550, 551, 552,
 &end
#
#   82 LYS  HN           81 ILE  QG2         5.00    (#   1286:20  Unique         2.97, 4.12 A)
 &rst
  ixpk= 1286, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1301,1302,1303,
 &end
#
#    0 AMB  20-2:1287     0 AMB  20-1:1287   5.00    (#   1287:20  Double Ambig)
 &rst
  ixpk= 1287, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1295,1417,
 igr2=1301,1302,1303,1435,1436,1437,
 &end
#
#   36 PHE  HD           34 ILE  QG2         5.00    (#   1288:20  Unique         2.86, 5.52 A)
 &rst
  ixpk= 1288, 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
#
#  120 THR  HN           27 ILE  QG2         5.00    (#   1289:20  Unique         3.73, 4.63 A)
 &rst
  ixpk= 1289, nxpk= 20, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 440, 441, 442,
 &end
#
#   91 THR  HN           90 ILE  QG2         4.00    (#   1291:20  Unique         3.05, 4.38 A)
 &rst
  ixpk= 1291, nxpk= 20, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1435,1436,1437,
 &end
#
#   27 ILE  HN           27 ILE  QG2         4.00    (#   1292:20  Unique         3.74, 4.29 A)
 &rst
  ixpk= 1292, nxpk= 20, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 440, 441, 442,
 &end
#
#   28 GLY  HN           27 ILE  QG2         4.00    (#   1293:20  Unique         2.33, 3.73 A)
 &rst
  ixpk= 1293, nxpk= 20, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 440, 441, 442,
 &end
#
#  121 GLY  HN           27 ILE  QG2         5.00    (#   1294:20  Unique         2.07, 3.11 A)
 &rst
  ixpk= 1294, nxpk= 20, iat=1916,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 440, 441, 442,
 &end
#
#   26 LEU  HN           27 ILE  QG2         5.00    (#   1295:20  Unique         5.60, 6.46 A)
 &rst
  ixpk= 1295, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 440, 441, 442,
 &end
#
#   92 GLN  HN           90 ILE  QG2         5.00    (#   1296:20  Unique         3.31, 4.46 A)
 &rst
  ixpk= 1296, nxpk= 20, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1435,1436,1437,
 &end
#
#   90 ILE  HN           90 ILE  QG2         6.00    (#   1297:20  Unique         3.11, 4.18 A)
 &rst
  ixpk= 1297, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1435,1436,1437,
 &end
#
#   18 ASN  HD2+         90 ILE  QG2         5.00    (#   1299:20  Unique         2.36, 5.20 A)
 &rst
  ixpk= 1299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 302, 303,
 igr2=1435,1436,1437,
 &end
#
#   92 GLN  HE2+         90 ILE  QG2         5.00    (#   1302:20  Unique         2.33, 4.47 A)
 &rst
  ixpk= 1302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1474,1475,
 igr2=1435,1436,1437,
 &end
#
#    0 AMB  20-2:1303   135 MET  ME          5.00    (#   1303:20  Single Ambig)
 &rst
  ixpk= 1303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2118,2020,
 igr2=2129,2130,2131,
 &end
#
#   94 ILE  HA           94 ILE  QD1         6.00    (#   1305:20  Unique         1.97, 3.83 A)
 &rst
  ixpk= 1305, nxpk= 20, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1506,1507,1508,
 &end
#
#   18 ASN  HD2+         94 ILE  QD1         5.00    (#   1306:20  Unique         2.53, 5.30 A)
 &rst
  ixpk= 1306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 302, 303,
 igr2=1506,1507,1508,
 &end
#
#   18 ASN  HD2-         94 ILE  QD1         5.00    (#   1307:20  Unique         2.53, 5.30 A)
 &rst
  ixpk= 1307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 302, 303,
 igr2=1506,1507,1508,
 &end
#
#   91 THR  HN           94 ILE  QD1         5.00    (#   1308:20  Unique         4.77, 6.19 A)
 &rst
  ixpk= 1308, nxpk= 20, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1506,1507,1508,
 &end
#
#    0 AMB  20-2:1310    48 MET  ME          4.00    (#   1310:20  Single Ambig)
 &rst
  ixpk= 1310, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 770, 613,
 igr2= 781, 782, 783,
 &end
#
#    7 MET  HN            7 MET  ME          4.00    (#   1313:20  Unique         2.09, 3.50 A)
 &rst
  ixpk= 1313, 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    (#   1314:20  Unique         2.96, 4.94 A)
 &rst
  ixpk= 1314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1858,1862,
 igr2= 128, 129, 130,
 &end
#
#  117 PHE  HZ            7 MET  ME          6.00    (#   1315:20  Unique         3.56, 5.41 A)
 &rst
  ixpk= 1315, nxpk= 20, iat=1860,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 128, 129, 130,
 &end
#
#   32 THR  HG1           7 MET  ME          5.00    (#   1316:20  Unique         3.24, 4.51 A)
 &rst
  ixpk= 1316, nxpk= 20, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 128, 129, 130,
 &end
#
#   32 THR  HA            7 MET  ME          6.00    (#   1317:20  Unique         4.95, 6.10 A)
 &rst
  ixpk= 1317, nxpk= 20, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 128, 129, 130,
 &end
#
#   81 ILE  HN           39 ILE  QD1         5.00    (#   1318:20  Unique         3.09, 4.63 A)
 &rst
  ixpk= 1318, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 648, 649, 650,
 &end
#
#   80 LYS  HN           39 ILE  QD1         6.00    (#   1319:20  Unique         4.84, 5.79 A)
 &rst
  ixpk= 1319, nxpk= 20, iat=1273,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 648, 649, 650,
 &end
#
#   39 ILE  HN           39 ILE  QD1         5.00    (#   1320:20  Unique         4.29, 4.63 A)
 &rst
  ixpk= 1320, nxpk= 20, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 648, 649, 650,
 &end
#
#   88 HIS  HD2          48 MET  ME          5.00    (#   1321:20  Unique         2.26, 4.09 A)
 &rst
  ixpk= 1321, nxpk= 20, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 781, 782, 783,
 &end
#
#   81 ILE  HN           81 ILE  QD1         4.00    (#   1324:20  Unique         1.99, 3.59 A)
 &rst
  ixpk= 1324, nxpk= 20, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1308,1309,1310,
 &end
#
#    0 AMB  20-2:1325    27 ILE  QD1         5.00    (#   1325:20  Single Ambig)
 &rst
  ixpk= 1325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1916, 117,
 igr2= 447, 448, 449,
 &end
#
#   27 ILE  HN           27 ILE  QD1         4.00    (#   1326:20  Unique         4.16, 4.38 A)
 &rst
  ixpk= 1326, nxpk= 20, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 447, 448, 449,
 &end
#
#   90 ILE  HN           90 ILE  QD1         5.00    (#   1327:20  Unique         1.85, 3.86 A)
 &rst
  ixpk= 1327, nxpk= 20, iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1442,1443,1444,
 &end
#
#   35 HIS  HN           34 ILE  QD1         6.00    (#   1328:20  Unique         5.79, 6.46 A)
 &rst
  ixpk= 1328, nxpk= 20, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 557, 558, 559,
 &end
#
#  115 TYR  HD           34 ILE  QD1         6.00    (#   1329:20  Unique         3.19, 6.49 A)
 &rst
  ixpk= 1329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1819,1828,
 igr2= 557, 558, 559,
 &end
#
#  117 PHE  HE           34 ILE  QD1         4.00    (#   1330:20  Unique         1.98, 3.92 A)
 &rst
  ixpk= 1330, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1858,1862,
 igr2= 557, 558, 559,
 &end
#
#  117 PHE  HD           34 ILE  QD1         4.00    (#   1331:20  Unique         1.95, 4.23 A)
 &rst
  ixpk= 1331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1856,1864,
 igr2= 557, 558, 559,
 &end
#
#    0 AMB  20-2:1334    34 ILE  QD1         5.00    (#   1334:20  Single Ambig)
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 527, 546,
 igr2= 557, 558, 559,
 &end
#
#  117 PHE  HB-          32 THR  HB          5.00    (#   1341:20  Unique         2.11, 2.87 A)
 &rst
  ixpk= 1341, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1852,1853,
 &end
#
#    7 MET  ME           32 THR  HB          4.00    (#   1342:20  Unique         1.98, 3.32 A)
 &rst
  ixpk= 1342, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 128, 129, 130,
 &end
#
#   32 THR  MG2          32 THR  HB          4.00    (#   1343:20  Unique         2.29, 2.69 A)
 &rst
  ixpk= 1343, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 517, 518, 519,
 &end
#
#  117 PHE  HB+          32 THR  HB          5.00    (#   1344:20  Unique         2.11, 2.87 A)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1852,1853,
 &end
#
#    0 AMB  20-2:1348    11 THR  HB          3.00    (#   1348:20  Single Ambig)
 &rst
  ixpk= 1348, nxpk= 20, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 188, 189, 190, 351, 352, 353,
 &end
#
#    9 GLU  HG-          11 THR  HB          6.00    (#   1349:20  Unique         5.33, 6.36 A)
 &rst
  ixpk= 1349, nxpk= 20, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 155, 156,
 &end
#
#    9 GLU  HB-          11 THR  HB          5.00    (#   1350:20  Unique         4.08, 5.63 A)
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 152, 153,
 &end
#
#  147 THR  MG2         147 THR  HB          3.00    (#   1353:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 1353, nxpk= 20, iat=  -1,2333, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2335,2336,2337,
 &end
#
#  144 LEU  HA          147 THR  HB          4.00    (#   1357:20  Unique         3.15, 3.71 A)
 &rst
  ixpk= 1357, nxpk= 20, iat=2287,2333, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  120 THR  HA          120 THR  HB          3.00    (#   1362:20  Unique         2.40, 2.50 A)
 &rst
  ixpk= 1362, nxpk= 20, iat=1904,1906, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  120 THR  MG2         120 THR  HB          3.00    (#   1363:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 1363, nxpk= 20, iat=  -1,1906, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1908,1909,1910,
 &end
#
#   91 THR  HA           91 THR  HB          3.00    (#   1365:20  Unique         2.37, 2.43 A)
 &rst
  ixpk= 1365, nxpk= 20, iat=1450,1452, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 THR  MG2          91 THR  HB          3.00    (#   1366:20  Unique         2.29, 2.69 A)
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1,1452, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1454,1455,1456,
 &end
#
#   84 THR  HA           84 THR  HB          4.00    (#   1368:20  Unique         2.95, 3.01 A)
 &rst
  ixpk= 1368, nxpk= 20, iat=1353,1355, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 ILE  HA           84 THR  HB          6.00    (#   1371:20  Unique         2.00, 2.17 A)
 &rst
  ixpk= 1371, nxpk= 20, iat=1297,1355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   84 THR  MG2          84 THR  HB          4.00    (#   1372:20  Unique         2.32, 2.69 A)
 &rst
  ixpk= 1372, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1357,1358,1359,
 &end
#
#   39 ILE  QG2          84 THR  HB          4.00    (#   1373:20  Unique         2.89, 4.17 A)
 &rst
  ixpk= 1373, nxpk= 20, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 641, 642, 643,
 &end
#
#  103 THR  HB          103 THR  HA          5.00    (#   1374:20  Unique         2.38, 2.87 A)
 &rst
  ixpk= 1374, nxpk= 20, iat=1633,1631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 THR  MG2         103 THR  HA          5.00    (#   1375:20  Unique         2.13, 3.17 A)
 &rst
  ixpk= 1375, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1635,1636,1637,
 &end
#
#    0 AMB  20-2:1376   103 THR  HB          5.00    (#   1376:20  Single Ambig)
 &rst
  ixpk= 1376, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1687,1631,
 &end
#
#  103 THR  MG2         103 THR  HB          4.00    (#   1377:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 1377, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1635,1636,1637,
 &end
#
#   84 THR  MG2          84 THR  HA          3.00    (#   1380:20  Unique         2.51, 3.40 A)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1357,1358,1359,
 &end
#
#  143 VAL  HB          140 VAL  HA          4.00    (#   1381:20  Unique         2.65, 2.95 A)
 &rst
  ixpk= 1381, nxpk= 20, iat=2273,2217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  140 VAL  HB          140 VAL  HA          4.00    (#   1382:20  Unique         2.52, 2.89 A)
 &rst
  ixpk= 1382, nxpk= 20, iat=2219,2217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1383   140 VAL  HA          3.00    (#   1383:20  Single Ambig)
 &rst
  ixpk= 1383, nxpk= 20, iat=  -1,2217, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 534, 535, 536, 538, 539, 540,2275,2276,2277,2279,
      2280,2281,2275,2276,2277,2279,2280,2281,
 &end
#
#  140 VAL  MGX         140 VAL  HA          3.00    (#   1384:20  Unique         2.02, 3.21 A)
 &rst
  ixpk= 1384, nxpk= 20, iat=  -1,2217, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#  140 VAL  MGY         140 VAL  HA          3.00    (#   1386:20  Unique         2.02, 3.21 A)
 &rst
  ixpk= 1386, nxpk= 20, iat=  -1,2217, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#    0 AMB  20-2:1387   140 VAL  HA          5.00    (#   1387:20  Single Ambig)
 &rst
  ixpk= 1387, nxpk= 20, iat=  -1,2217, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1015,2292,
 &end
#
#   87 GLU  HB-          84 THR  HA          3.00    (#   1388:20  Unique         1.97, 3.71 A)
 &rst
  ixpk= 1388, nxpk= 20, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1389,1390,
 &end
#
#   87 GLU  HB+          84 THR  HA          4.00    (#   1389:20  Unique         1.97, 3.71 A)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1389,1390,
 &end
#
#   38 SER  HA           38 SER  HB+         5.00    (#   1390:20  Unique         2.33, 2.73 A)
 &rst
  ixpk= 1390, nxpk= 20, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 628, 629,
 &end
#
#   49 PRO  HD-          49 PRO  HA          5.00    (#   1392:20  Unique         3.79, 3.88 A)
 &rst
  ixpk= 1392, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 788, 789,
 &end
#
#    0 AMB  20-2:1393     0 AMB  20-1:1393   6.00    (#   1393:20  Double Ambig)
 &rst
  ixpk= 1393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 656,1143,
 igr2= 628, 629, 628, 629,
 &end
#
#    0 AMB  20-2:1395     0 AMB  20-1:1395   4.00    (#   1395:20  Double Ambig)
 &rst
  ixpk= 1395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1213,1214,1157,1158,
 igr2= 628, 629, 628, 629,
 &end
#
#   51 VAL  HB           51 VAL  HA          4.00    (#   1396:20  Unique         2.69, 2.81 A)
 &rst
  ixpk= 1396, nxpk= 20, iat= 822, 820, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  133 MET  ME           51 VAL  HA          5.00    (#   1397:20  Unique         2.07, 3.46 A)
 &rst
  ixpk= 1397, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2090,2091,2092,
 &end
#
#   51 VAL  MGY          51 VAL  HA          3.00    (#   1398:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 1398, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#   51 VAL  MGX          51 VAL  HA          4.00    (#   1399:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 1399, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#   52 ASN  HB+          49 PRO  HA          4.00    (#   1400:20  Unique         2.50, 3.77 A)
 &rst
  ixpk= 1400, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 838, 839,
 &end
#
#   49 PRO  HB-          49 PRO  HA          3.00    (#   1401:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1401, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 794, 795,
 &end
#
#   49 PRO  HB+          49 PRO  HA          4.00    (#   1402:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1402, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 794, 795,
 &end
#
#   38 SER  HA           38 SER  HB-         5.00    (#   1403:20  Unique         2.33, 2.73 A)
 &rst
  ixpk= 1403, nxpk= 20, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 628, 629,
 &end
#
#    0 AMB  20-2:1404    38 SER  HB-         5.00    (#   1404:20  Single Ambig)
 &rst
  ixpk= 1404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 656,1143,
 igr2= 628, 629,
 &end
#
#   41 CYS  HB+          38 SER  HB-         5.00    (#   1406:20  Unique         2.14, 4.04 A)
 &rst
  ixpk= 1406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 669, 670,
 igr2= 628, 629,
 &end
#
#  111 VAL  MGY          38 SER  HB-         5.00    (#   1407:20  Unique         1.93, 4.29 A)
 &rst
  ixpk= 1407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2= 628, 629,
 &end
#
#   84 THR  HB           81 ILE  HA          5.00    (#   1408:20  Unique         2.00, 2.17 A)
 &rst
  ixpk= 1408, nxpk= 20, iat=1355,1297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   81 ILE  HG1-         81 ILE  HA          5.00    (#   1409:20  Unique         2.14, 2.75 A)
 &rst
  ixpk= 1409, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1305,1306,
 &end
#
#   72 SER  HA           72 SER  HB-         4.00    (#   1411:20  Unique         2.46, 2.86 A)
 &rst
  ixpk= 1411, nxpk= 20, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1175,1176,
 &end
#
#   72 SER  HA           72 SER  HB+         4.00    (#   1413:20  Unique         2.46, 2.86 A)
 &rst
  ixpk= 1413, nxpk= 20, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1175,1176,
 &end
#
#    0 AMB  20-2:1415   143 VAL  HA          6.00    (#   1415:20  Single Ambig)
 &rst
  ixpk= 1415, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2316,2233,
 &end
#
#  146 GLU  HG-         143 VAL  HA          4.00    (#   1416:20  Unique         1.94, 2.81 A)
 &rst
  ixpk= 1416, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2321,2322,
 &end
#
#    0 AMB  20-2:1418   143 VAL  HA          3.00    (#   1418:20  Single Ambig)
 &rst
  ixpk= 1418, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2318,2319,2273,
 &end
#
#    0 AMB  20-2:1419   143 VAL  HA          5.00    (#   1419:20  Single Ambig)
 &rst
  ixpk= 1419, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2249,2250, 501, 502,
 &end
#
#  145 ALA  MB          143 VAL  HA          6.00    (#   1420:20  Unique         5.16, 6.31 A)
 &rst
  ixpk= 1420, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2308,2309,2310,
 &end
#
#    0 AMB  20-2:1421   143 VAL  HA          3.00    (#   1421:20  Single Ambig)
 &rst
  ixpk= 1421, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#   81 ILE  QD1          81 ILE  HA          5.00    (#   1422:20  Unique         2.33, 4.30 A)
 &rst
  ixpk= 1422, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1308,1309,1310,
 &end
#
#   80 LYS  HA           81 ILE  HA          5.00    (#   1423:20  Unique         4.75, 4.87 A)
 &rst
  ixpk= 1423, nxpk= 20, iat=1275,1297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1424    81 ILE  HA          4.00    (#   1424:20  Single Ambig)
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1357,1358,1359,1299,
 &end
#
#   81 ILE  HG1+         81 ILE  HA          5.00    (#   1425:20  Unique         2.14, 2.75 A)
 &rst
  ixpk= 1425, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1305,1306,
 &end
#
#   39 ILE  QG2          81 ILE  HA          4.00    (#   1426:20  Unique         2.45, 3.71 A)
 &rst
  ixpk= 1426, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 641, 642, 643,
 &end
#
#    0 AMB  20-2:1427    81 ILE  HA          5.00    (#   1427:20  Single Ambig)
 &rst
  ixpk= 1427, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 648, 649, 650, 283, 284, 285, 287, 288, 289,
 &end
#
#   81 ILE  QG2          81 ILE  HA          4.00    (#   1428:20  Unique         2.38, 3.25 A)
 &rst
  ixpk= 1428, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1301,1302,1303,
 &end
#
#    0 AMB  20-2:1429     0 AMB  20-1:1429   5.00    (#   1429:20  Double Ambig)
 &rst
  ixpk= 1429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 626, 714,
 igr2= 637,1175,1176,
 &end
#
#   39 ILE  QD1          39 ILE  HA          5.00    (#   1430:20  Unique         4.32, 4.99 A)
 &rst
  ixpk= 1430, nxpk= 20, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 648, 649, 650,
 &end
#
#   39 ILE  HB           39 ILE  HA          4.00    (#   1431:20  Unique         2.30, 2.39 A)
 &rst
  ixpk= 1431, nxpk= 20, iat= 639, 637, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 THR  MG2          39 ILE  HA          4.00    (#   1432:20  Unique         3.57, 4.52 A)
 &rst
  ixpk= 1432, nxpk= 20, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1357,1358,1359,
 &end
#
#   39 ILE  QG2          39 ILE  HA          3.00    (#   1433:20  Unique         2.20, 3.13 A)
 &rst
  ixpk= 1433, nxpk= 20, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 641, 642, 643,
 &end
#
#   78 PRO  HD+          78 PRO  HA          5.00    (#   1435:20  Unique         3.79, 3.88 A)
 &rst
  ixpk= 1435, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1253,1254,
 &end
#
#    0 AMB  20-2:1436    78 PRO  HA          4.00    (#   1436:20  Single Ambig)
 &rst
  ixpk= 1436, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1253,1254,1268,1269,
 &end
#
#   78 PRO  HB-          78 PRO  HA          3.00    (#   1437:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1437, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1259,1260,
 &end
#
#   78 PRO  HB+          78 PRO  HA          3.00    (#   1438:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1438, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1259,1260,
 &end
#
#    0 AMB  20-2:1439    78 PRO  HA          4.00    (#   1439:20  Single Ambig)
 &rst
  ixpk= 1439, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1256,1257,1277,1278,
 &end
#
#   81 ILE  HB           78 PRO  HA          4.00    (#   1440:20  Unique         2.13, 2.65 A)
 &rst
  ixpk= 1440, nxpk= 20, iat=1299,1262, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1441    78 PRO  HA          5.00    (#   1441:20  Single Ambig)
 &rst
  ixpk= 1441, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1538,1539,1540,1542,1543,1544, 283, 284, 285, 287,
       288, 289,
 &end
#
#    0 AMB  20-2:1442    78 PRO  HA          5.00    (#   1442:20  Single Ambig)
 &rst
  ixpk= 1442, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1538,1539,1540,1542,1543,1544, 283, 284, 285, 287,
       288, 289,
 &end
#
#   81 ILE  QG2          78 PRO  HA          5.00    (#   1443:20  Unique         3.95, 4.90 A)
 &rst
  ixpk= 1443, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1301,1302,1303,
 &end
#
#   81 ILE  QD1          78 PRO  HA          4.00    (#   1444:20  Unique         1.99, 3.41 A)
 &rst
  ixpk= 1444, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1308,1309,1310,
 &end
#
#   68 HIS  HB-          96 VAL  HA          5.00    (#   1448:20  Unique         1.99, 3.59 A)
 &rst
  ixpk= 1448, nxpk= 20, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1103,1104,
 &end
#
#   96 VAL  MGY          96 VAL  HA          4.00    (#   1449:20  Unique         2.25, 3.42 A)
 &rst
  ixpk= 1449, nxpk= 20, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#    0 AMB  20-2:1450    96 VAL  HA          5.00    (#   1450:20  Single Ambig)
 &rst
  ixpk= 1450, nxpk= 20, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1103,1104,1536,
 &end
#
#   96 VAL  MGX          96 VAL  HA          4.00    (#   1452:20  Unique         2.25, 3.42 A)
 &rst
  ixpk= 1452, nxpk= 20, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#    0 AMB  20-2:1453    44 CYS  HA          6.00    (#   1453:20  Single Ambig)
 &rst
  ixpk= 1453, nxpk= 20, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1756,1757,1758,1760,1761,1762, 702, 703, 704, 706,
       707, 708,
 &end
#
#   44 CYS  HB+          44 CYS  HA          5.00    (#   1460:20  Unique         2.27, 2.65 A)
 &rst
  ixpk= 1460, nxpk= 20, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 716, 717,
 &end
#
#    0 AMB  20-2:1464    44 CYS  HA          4.00    (#   1464:20  Single Ambig)
 &rst
  ixpk= 1464, nxpk= 20, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1773,1774,1770,1771,1770,1771,
 &end
#
#  112 PRO  HB-          44 CYS  HA          5.00    (#   1465:20  Unique         2.35, 3.49 A)
 &rst
  ixpk= 1465, nxpk= 20, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1773,1774,
 &end
#
#   47 ALA  MB           44 CYS  HA          5.00    (#   1466:20  Unique         2.51, 3.61 A)
 &rst
  ixpk= 1466, nxpk= 20, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 764, 765, 766,
 &end
#
#   38 SER  HB-          40 SER  HB+         4.00    (#   1471:20  Unique         3.32, 5.06 A)
 &rst
  ixpk= 1471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 628, 629,
 igr2= 658, 659,
 &end
#
#  131 SER  HA          131 SER  HB-         4.00    (#   1472:20  Unique         2.43, 2.79 A)
 &rst
  ixpk= 1472, nxpk= 20, iat=2063,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2065,2066,
 &end
#
#  131 SER  HA          131 SER  HB+         4.00    (#   1477:20  Unique         2.43, 2.79 A)
 &rst
  ixpk= 1477, nxpk= 20, iat=2063,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2065,2066,
 &end
#
#   98 SER  HA           98 SER  HB+         4.00    (#   1480:20  Unique         2.32, 2.69 A)
 &rst
  ixpk= 1480, nxpk= 20, iat=1562,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1564,1565,
 &end
#
#    0 AMB  20-2:1482    31 PRO  HA          6.00    (#   1482:20  Single Ambig)
 &rst
  ixpk= 1482, nxpk= 20, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 498, 499, 515,
 &end
#
#   40 SER  HA           40 SER  HB+         4.00    (#   1484:20  Unique         2.38, 2.67 A)
 &rst
  ixpk= 1484, nxpk= 20, iat= 656,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 658, 659,
 &end
#
#    8 PRO  HD-           8 PRO  HA          6.00    (#   1486:20  Unique         3.79, 3.88 A)
 &rst
  ixpk= 1486, nxpk= 20, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 135, 136,
 &end
#
#    8 PRO  HB-           8 PRO  HA          3.00    (#   1487:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1487, 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    (#   1488:20  Unique         3.88, 3.93 A)
 &rst
  ixpk= 1488, nxpk= 20, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 138, 139,
 &end
#
#   70 PRO  HB-          70 PRO  HA          4.00    (#   1491:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1140,1141,
 &end
#
#  119 LYS  HB-          31 PRO  HA          5.00    (#   1492:20  Unique         3.14, 3.77 A)
 &rst
  ixpk= 1492, nxpk= 20, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1884,1885,
 &end
#
#  118 ASP  HA           31 PRO  HA          4.00    (#   1493:20  Unique         3.34, 3.73 A)
 &rst
  ixpk= 1493, nxpk= 20, iat=1870, 507, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  119 LYS  HA           31 PRO  HA          5.00    (#   1494:20  Unique         1.89, 2.00 A)
 &rst
  ixpk= 1494, nxpk= 20, iat=1882, 507, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 ASP  HB+          70 PRO  HA          5.00    (#   1495:20  Unique         1.95, 2.75 A)
 &rst
  ixpk= 1495, nxpk= 20, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1213,1214,
 &end
#
#   75 ASP  HB-          70 PRO  HA          4.00    (#   1496:20  Unique         1.95, 2.75 A)
 &rst
  ixpk= 1496, nxpk= 20, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1213,1214,
 &end
#
#   31 PRO  HB-          31 PRO  HA          4.00    (#   1497:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1497, nxpk= 20, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 504, 505,
 &end
#
#    0 AMB  20-2:1498     0 AMB  20-1:1498   3.00    (#   1498:20  Double Ambig)
 &rst
  ixpk= 1498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1140,1141, 504, 505,
 igr2=1143, 507,
 &end
#
#    8 PRO  HB+           8 PRO  HA          3.00    (#   1499:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 1499, nxpk= 20, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 141, 142,
 &end
#
#    0 AMB  20-2:1501    31 PRO  HA          5.00    (#   1501:20  Single Ambig)
 &rst
  ixpk= 1501, nxpk= 20, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#  119 LYS  HB-          31 PRO  HA          6.00    (#   1503:20  Unique         3.14, 3.77 A)
 &rst
  ixpk= 1503, nxpk= 20, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1884,1885,
 &end
#
#   91 THR  HB           91 THR  HA          3.00    (#   1508:20  Unique         2.37, 2.43 A)
 &rst
  ixpk= 1508, nxpk= 20, iat=1452,1450, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 THR  MG2          91 THR  HA          3.00    (#   1509:20  Unique         2.57, 3.32 A)
 &rst
  ixpk= 1509, nxpk= 20, iat=  -1,1450, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1454,1455,1456,
 &end
#
#  120 THR  HB          120 THR  HA          3.00    (#   1511:20  Unique         2.40, 2.50 A)
 &rst
  ixpk= 1511, nxpk= 20, iat=1906,1904, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  120 THR  MG2         120 THR  HA          4.00    (#   1512:20  Unique         2.70, 3.75 A)
 &rst
  ixpk= 1512, nxpk= 20, iat=  -1,1904, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1908,1909,1910,
 &end
#
#   27 ILE  QG2         120 THR  HA          4.00    (#   1513:20  Unique         1.96, 3.96 A)
 &rst
  ixpk= 1513, nxpk= 20, iat=  -1,1904, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 440, 441, 442,
 &end
#
#   27 ILE  HB          120 THR  HA          5.00    (#   1514:20  Unique         3.56, 4.01 A)
 &rst
  ixpk= 1514, nxpk= 20, iat= 438,1904, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  147 THR  MG2         147 THR  HA          4.00    (#   1515:20  Unique         2.52, 3.54 A)
 &rst
  ixpk= 1515, nxpk= 20, iat=  -1,2331, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2335,2336,2337,
 &end
#
#    0 AMB  20-2:1517    65 VAL  HA          5.00    (#   1517:20  Single Ambig)
 &rst
  ixpk= 1517, nxpk= 20, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1480,1481,1480,1481,
 &end
#
#    0 AMB  20-2:1518     0 AMB  20-1:1518   5.00    (#   1518:20  Double Ambig)
 &rst
  ixpk= 1518, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1486,1487,2321,2322,
 igr2=1059,2331,
 &end
#
#   65 VAL  HB           65 VAL  HA          3.00    (#   1520:20  Unique         2.25, 2.32 A)
 &rst
  ixpk= 1520, nxpk= 20, iat=1061,1059, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1527     0 AMB  20-1:1527   5.00    (#   1527:20  Double Ambig)
 &rst
  ixpk= 1527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1564,1565, 297, 298,
 igr2=1562,1450,
 &end
#
#   65 VAL  MGX          65 VAL  HA          3.00    (#   1534:20  Unique         2.25, 3.57 A)
 &rst
  ixpk= 1534, nxpk= 20, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1063,1064,1065,1067,1068,1069,
 &end
#
#    0 AMB  20-2:1540    65 VAL  HA          5.00    (#   1540:20  Single Ambig)
 &rst
  ixpk= 1540, nxpk= 20, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 335, 336, 337, 339, 340, 341, 335, 336, 337, 339,
       340, 341, 424, 425, 426, 428, 429, 430,
 &end
#
#   91 THR  MG2          90 ILE  HA          5.00    (#   1543:20  Unique         3.21, 4.55 A)
 &rst
  ixpk= 1543, nxpk= 20, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1454,1455,1456,
 &end
#
#   90 ILE  QD1          90 ILE  HA          5.00    (#   1544:20  Unique         1.91, 4.44 A)
 &rst
  ixpk= 1544, nxpk= 20, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1442,1443,1444,
 &end
#
#   90 ILE  HG1-         90 ILE  HA          5.00    (#   1551:20  Unique         2.56, 3.28 A)
 &rst
  ixpk= 1551, nxpk= 20, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1439,1440,
 &end
#
#   90 ILE  QG2          90 ILE  HA          4.00    (#   1552:20  Unique         2.02, 2.94 A)
 &rst
  ixpk= 1552, nxpk= 20, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1435,1436,1437,
 &end
#
#   90 ILE  HG1+         90 ILE  HA          5.00    (#   1553:20  Unique         2.56, 3.28 A)
 &rst
  ixpk= 1553, nxpk= 20, iat=  -1,1431, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1439,1440,
 &end
#
#   90 ILE  HB           90 ILE  HA          5.00    (#   1560:20  Unique         2.80, 2.92 A)
 &rst
  ixpk= 1560, nxpk= 20, iat=1433,1431, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1567    27 ILE  HA          5.00    (#   1567:20  Single Ambig)
 &rst
  ixpk= 1567, nxpk= 20, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 455, 456,1904,
 &end
#
#    0 AMB  20-2:1568    27 ILE  HA          5.00    (#   1568:20  Single Ambig)
 &rst
  ixpk= 1568, nxpk= 20, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 455, 456,1918,1919,
 &end
#
#   27 ILE  HG1+         27 ILE  HA          4.00    (#   1569:20  Unique         2.46, 3.50 A)
 &rst
  ixpk= 1569, nxpk= 20, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 444, 445,
 &end
#
#   27 ILE  HB           27 ILE  HA          4.00    (#   1570:20  Unique         2.69, 2.76 A)
 &rst
  ixpk= 1570, nxpk= 20, iat= 438, 436, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 ILE  QG2          27 ILE  HA          3.00    (#   1571:20  Unique         2.02, 2.83 A)
 &rst
  ixpk= 1571, nxpk= 20, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 440, 441, 442,
 &end
#
#   48 MET  HG-          45 LYS  HA          5.00    (#   1573:20  Unique         2.56, 3.62 A)
 &rst
  ixpk= 1573, nxpk= 20, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 777, 778,
 &end
#
#   48 MET  HB+          45 LYS  HA          4.00    (#   1574:20  Unique         2.07, 2.98 A)
 &rst
  ixpk= 1574, nxpk= 20, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 774, 775,
 &end
#
#   45 LYS  HB+          45 LYS  HA          3.00    (#   1575:20  Unique         2.32, 2.70 A)
 &rst
  ixpk= 1575, nxpk= 20, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 727, 728,
 &end
#
#   45 LYS  HD+          45 LYS  HA          5.00    (#   1576:20  Unique         1.92, 2.38 A)
 &rst
  ixpk= 1576, nxpk= 20, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 733, 734,
 &end
#
#   45 LYS  HG+          45 LYS  HA          4.00    (#   1577:20  Unique         2.66, 3.56 A)
 &rst
  ixpk= 1577, nxpk= 20, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 730, 731,
 &end
#
#    0 AMB  20-2:1579    54 PHE  HA          3.00    (#   1579:20  Single Ambig)
 &rst
  ixpk= 1579, nxpk= 20, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 923, 924, 929, 930,
 &end
#
#   49 PRO  HD+          45 LYS  HA          5.00    (#   1580:20  Unique         3.26, 4.14 A)
 &rst
  ixpk= 1580, nxpk= 20, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 788, 789,
 &end
#
#   54 PHE  HB-          54 PHE  HA          3.00    (#   1581:20  Unique         2.32, 2.70 A)
 &rst
  ixpk= 1581, nxpk= 20, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 867, 868,
 &end
#
#   54 PHE  HB+          54 PHE  HA          4.00    (#   1582:20  Unique         2.32, 2.70 A)
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 867, 868,
 &end
#
#   45 LYS  HE+          45 LYS  HA          6.00    (#   1584:20  Unique         4.22, 4.57 A)
 &rst
  ixpk= 1584, nxpk= 20, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 736, 737,
 &end
#
#    0 AMB  20-2:1586    23 ARG  HA          3.00    (#   1586:20  Single Ambig)
 &rst
  ixpk= 1586, nxpk= 20, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 419, 420, 363, 364,
 &end
#
#    0 AMB  20-2:1587    23 ARG  HA          5.00    (#   1587:20  Single Ambig)
 &rst
  ixpk= 1587, nxpk= 20, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 121, 122, 170,
 &end
#
#    0 AMB  20-2:1588    23 ARG  HA          3.00    (#   1588:20  Single Ambig)
 &rst
  ixpk= 1588, nxpk= 20, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 366, 367, 444, 445, 121, 122,
 &end
#
#    0 AMB  20-2:1589     0 AMB  20-1:1589   3.00    (#   1589:20  Double Ambig)
 &rst
  ixpk= 1589, 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=1316, 361,
 &end
#
#    0 AMB  20-2:1590     0 AMB  20-1:1590   3.00    (#   1590:20  Double Ambig)
 &rst
  ixpk= 1590, 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=1316, 361,
 &end
#
#    0 AMB  20-2:1591   137 GLU  HA          5.00    (#   1591:20  Single Ambig)
 &rst
  ixpk= 1591, nxpk= 20, iat=  -1,2156, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2139,2140, 923, 924,
 &end
#
#   82 LYS  HB-          82 LYS  HA          3.00    (#   1593:20  Unique         2.38, 2.79 A)
 &rst
  ixpk= 1593, nxpk= 20, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1318,1319,
 &end
#
#   81 ILE  QG2          82 LYS  HA          5.00    (#   1595:20  Unique         3.10, 4.40 A)
 &rst
  ixpk= 1595, nxpk= 20, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1301,1302,1303,
 &end
#
#    0 AMB  20-2:1597   137 GLU  HA          3.00    (#   1597:20  Single Ambig)
 &rst
  ixpk= 1597, nxpk= 20, iat=  -1,2156, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2161,2162,2158,2159,
 &end
#
#    0 AMB  20-2:1598   137 GLU  HA          4.00    (#   1598:20  Single Ambig)
 &rst
  ixpk= 1598, nxpk= 20, iat=  -1,2156, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=2161,2162,2219,
 &end
#
#    0 AMB  20-2:1599   137 GLU  HA          5.00    (#   1599:20  Single Ambig)
 &rst
  ixpk= 1599, nxpk= 20, iat=  -1,2156, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2142,2139,2140, 534, 535, 536, 538, 539, 540,
 &end
#
#  140 VAL  MGX         137 GLU  HA          4.00    (#   1600:20  Unique         2.24, 4.83 A)
 &rst
  ixpk= 1600, nxpk= 20, iat=  -1,2156, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#  140 VAL  MGY         137 GLU  HA          5.00    (#   1601:20  Unique         2.24, 4.83 A)
 &rst
  ixpk= 1601, nxpk= 20, iat=  -1,2156, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#   24 GLU  HG-          24 GLU  HA          4.00    (#   1602:20  Unique         3.53, 3.74 A)
 &rst
  ixpk= 1602, nxpk= 20, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 390, 391,
 &end
#
#   24 GLU  HG+          24 GLU  HA          4.00    (#   1603:20  Unique         3.53, 3.74 A)
 &rst
  ixpk= 1603, nxpk= 20, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 390, 391,
 &end
#
#   24 GLU  HB+          24 GLU  HA          3.00    (#   1604:20  Unique         2.32, 2.47 A)
 &rst
  ixpk= 1604, nxpk= 20, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 387, 388,
 &end
#
#  138 LYS  HB-         138 LYS  HA          3.00    (#   1606:20  Unique         2.23, 2.60 A)
 &rst
  ixpk= 1606, nxpk= 20, iat=  -1,2171, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2173,2174,
 &end
#
#    0 AMB  20-2:1607    24 GLU  HA          5.00    (#   1607:20  Single Ambig)
 &rst
  ixpk= 1607, nxpk= 20, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 400, 417,
 &end
#
#    0 AMB  20-2:1609   138 LYS  HA          4.00    (#   1609:20  Single Ambig)
 &rst
  ixpk= 1609, nxpk= 20, iat=  -1,2171, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2182,2183,2235,2236,
 &end
#
#  138 LYS  HG+         138 LYS  HA          4.00    (#   1610:20  Unique         2.64, 3.70 A)
 &rst
  ixpk= 1610, nxpk= 20, iat=  -1,2171, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2176,2177,
 &end
#
#  138 LYS  HG-         138 LYS  HA          4.00    (#   1611:20  Unique         2.64, 3.70 A)
 &rst
  ixpk= 1611, nxpk= 20, iat=  -1,2171, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2176,2177,
 &end
#
#  141 ASN  HB+         138 LYS  HA          4.00    (#   1612:20  Unique         2.26, 3.59 A)
 &rst
  ixpk= 1612, nxpk= 20, iat=  -1,2171, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2235,2236,
 &end
#
#   42 HIS  HB-          42 HIS  HA          3.00    (#   1613:20  Unique         2.22, 2.66 A)
 &rst
  ixpk= 1613, nxpk= 20, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 680, 681,
 &end
#
#   42 HIS  HB+          42 HIS  HA          3.00    (#   1614:20  Unique         2.22, 2.66 A)
 &rst
  ixpk= 1614, nxpk= 20, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 680, 681,
 &end
#
#   45 LYS  HE+          42 HIS  HA          5.00    (#   1615:20  Unique         3.89, 4.82 A)
 &rst
  ixpk= 1615, nxpk= 20, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 736, 737,
 &end
#
#   45 LYS  HB+          42 HIS  HA          5.00    (#   1616:20  Unique         3.11, 4.12 A)
 &rst
  ixpk= 1616, nxpk= 20, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 727, 728,
 &end
#
#    0 AMB  20-2:1617     0 AMB  20-1:1617   4.00    (#   1617:20  Double Ambig)
 &rst
  ixpk= 1617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 890, 891, 733, 734, 733, 734,
 igr2= 964, 678,
 &end
#
#   45 LYS  HG+          42 HIS  HA          5.00    (#   1618:20  Unique         1.98, 2.93 A)
 &rst
  ixpk= 1618, nxpk= 20, iat=  -1, 678, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 730, 731,
 &end
#
#   83 GLU  HB-          83 GLU  HA          3.00    (#   1619:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 1619, nxpk= 20, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1340,1341,
 &end
#
#   86 ALA  MB           83 GLU  HA          3.00    (#   1620:20  Unique         1.99, 3.01 A)
 &rst
  ixpk= 1620, nxpk= 20, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1379,1380,1381,
 &end
#
#   83 GLU  HG-          83 GLU  HA          4.00    (#   1622:20  Unique         1.99, 2.98 A)
 &rst
  ixpk= 1622, nxpk= 20, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1343,1344,
 &end
#
#   83 GLU  HB+          83 GLU  HA          3.00    (#   1623:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 1623, nxpk= 20, iat=  -1,1338, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1340,1341,
 &end
#
#    0 AMB  20-2:1624     0 AMB  20-1:1624   4.00    (#   1624:20  Double Ambig)
 &rst
  ixpk= 1624, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 911, 912,2235,2236,
 igr2= 850,2247,
 &end
#
#   20 GLU  HA           21 VAL  HA          5.00    (#   1627:20  Unique         4.39, 4.50 A)
 &rst
  ixpk= 1627, nxpk= 20, iat= 316, 331, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLN  HB-          21 VAL  HA          5.00    (#   1628:20  Unique         2.73, 3.89 A)
 &rst
  ixpk= 1628, nxpk= 20, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 402, 403,
 &end
#
#   21 VAL  HB           21 VAL  HA          4.00    (#   1629:20  Unique         2.33, 2.60 A)
 &rst
  ixpk= 1629, nxpk= 20, iat= 333, 331, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 THR  MG2          21 VAL  HA          5.00    (#   1631:20  Unique         4.34, 5.64 A)
 &rst
  ixpk= 1631, nxpk= 20, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 351, 352, 353,
 &end
#
#   21 VAL  MGX          21 VAL  HA          3.00    (#   1632:20  Unique         2.19, 3.40 A)
 &rst
  ixpk= 1632, 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
#
#    0 AMB  20-2:1636   142 ARG  HA          5.00    (#   1636:20  Single Ambig)
 &rst
  ixpk= 1636, nxpk= 20, iat=  -1,2247, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2235,2236,2201,2202,
 &end
#
#   53 GLU  HG+          53 GLU  HA          4.00    (#   1637:20  Unique         3.04, 3.70 A)
 &rst
  ixpk= 1637, nxpk= 20, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 855, 856,
 &end
#
#   60 ASP  HA           59 GLN  HA          5.00    (#   1639:20  Unique         4.27, 4.51 A)
 &rst
  ixpk= 1639, nxpk= 20, iat= 981, 964, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 GLN  HG-          59 GLN  HA          4.00    (#   1640:20  Unique         2.75, 3.72 A)
 &rst
  ixpk= 1640, nxpk= 20, iat=  -1, 964, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 969, 970,
 &end
#
#   59 GLN  HB-          59 GLN  HA          3.00    (#   1641:20  Unique         2.26, 2.53 A)
 &rst
  ixpk= 1641, nxpk= 20, iat=  -1, 964, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 966, 967,
 &end
#
#  142 ARG  HD+         142 ARG  HA          4.00    (#   1650:20  Unique         1.96, 2.80 A)
 &rst
  ixpk= 1650, nxpk= 20, iat=  -1,2247, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2255,2256,
 &end
#
#    0 AMB  20-2:1651     0 AMB  20-1:1651   3.00    (#   1651:20  Double Ambig)
 &rst
  ixpk= 1651, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=2249,2250, 207, 208,
 igr2=2247, 205,
 &end
#
#   57 LYS  HB-          57 LYS  HA          3.00    (#   1652:20  Unique         2.56, 2.84 A)
 &rst
  ixpk= 1652, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 923, 924,
 &end
#
#    0 AMB  20-2:1653    57 LYS  HA          3.00    (#   1653:20  Single Ambig)
 &rst
  ixpk= 1653, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 929, 930, 923, 924,
 &end
#
#   57 LYS  HG-          57 LYS  HA          3.00    (#   1654:20  Unique         1.94, 2.62 A)
 &rst
  ixpk= 1654, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 926, 927,
 &end
#
#   60 ASP  HA           59 GLN  HA          5.00    (#   1660:20  Unique         4.27, 4.51 A)
 &rst
  ixpk= 1660, nxpk= 20, iat= 981, 964, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1661   142 ARG  HA          3.00    (#   1661:20  Single Ambig)
 &rst
  ixpk= 1661, nxpk= 20, iat=  -1,2247, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2252,2253,2252,2253,
 &end
#
#   47 ALA  HA            0 AMB  20-1:1662   5.00    (#   1662:20  Single Ambig)
 &rst
  ixpk= 1662, nxpk= 20, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 747, 803,
 &end
#
#    0 AMB  20-2:1664     0 AMB  20-1:1664   3.00    (#   1664:20  Double Ambig)
 &rst
  ixpk= 1664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 808, 809, 752, 753,
 igr2= 803, 747,
 &end
#
#    0 AMB  20-2:1665     0 AMB  20-1:1665   3.00    (#   1665:20  Double Ambig)
 &rst
  ixpk= 1665, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 855, 856, 749, 750,
 igr2= 803, 747,
 &end
#
#   86 ALA  MB           87 GLU  HA          4.00    (#   1666:20  Unique         4.20, 4.97 A)
 &rst
  ixpk= 1666, nxpk= 20, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1379,1380,1381,
 &end
#
#    0 AMB  20-2:1667     0 AMB  20-1:1667   6.00    (#   1667:20  Double Ambig)
 &rst
  ixpk= 1667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1402,1645,
 igr2=1387,1667,
 &end
#
#   56 ASP  HA           57 LYS  HA          6.00    (#   1668:20  Unique         4.73, 4.84 A)
 &rst
  ixpk= 1668, nxpk= 20, iat= 909, 921, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   57 LYS  HG+          57 LYS  HA          4.00    (#   1670:20  Unique         1.94, 2.62 A)
 &rst
  ixpk= 1670, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 926, 927,
 &end
#
#  119 LYS  HE+         119 LYS  HA          5.00    (#   1673:20  Unique         3.86, 5.22 A)
 &rst
  ixpk= 1673, nxpk= 20, iat=  -1,1882, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1893,1894,
 &end
#
#   50 GLN  HG-          50 GLN  HA          3.00    (#   1675:20  Unique         2.21, 2.84 A)
 &rst
  ixpk= 1675, nxpk= 20, iat=  -1, 803, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 808, 809,
 &end
#
#    0 AMB  20-2:1677     0 AMB  20-1:1677   4.00    (#   1677:20  Double Ambig)
 &rst
  ixpk= 1677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1377,1657,1419,1353,
 igr2=1387,1667,
 &end
#
#    0 AMB  20-2:1678   106 PHE  HA          3.00    (#   1678:20  Single Ambig)
 &rst
  ixpk= 1678, nxpk= 20, iat=  -1,1667, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  11,  12,  11,  12,1669,1670,
 &end
#
#   87 GLU  HB-          87 GLU  HA          3.00    (#   1679:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 1679, nxpk= 20, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1389,1390,
 &end
#
#    0 AMB  20-2:1680    87 GLU  HA          3.00    (#   1680:20  Single Ambig)
 &rst
  ixpk= 1680, nxpk= 20, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1389,1390,1392,1393,
 &end
#
#    0 AMB  20-2:1682    55 ARG  HA          3.00    (#   1682:20  Single Ambig)
 &rst
  ixpk= 1682, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 890, 891, 887, 888,
 &end
#
#   64 VAL  MGX          55 ARG  HA          3.00    (#   1683:20  Unique         1.96, 3.83 A)
 &rst
  ixpk= 1683, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#  118 ASP  HA          119 LYS  HA          5.00    (#   1684:20  Unique         4.34, 4.34 A)
 &rst
  ixpk= 1684, nxpk= 20, iat=1870,1882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 PRO  HA          119 LYS  HA          5.00    (#   1686:20  Unique         1.89, 2.00 A)
 &rst
  ixpk= 1686, nxpk= 20, iat= 507,1882, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 GLU  HG-          80 LYS  HA          5.00    (#   1687:20  Unique         4.65, 5.36 A)
 &rst
  ixpk= 1687, nxpk= 20, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1343,1344,
 &end
#
#   83 GLU  HB-          80 LYS  HA          3.00    (#   1688:20  Unique         2.74, 3.55 A)
 &rst
  ixpk= 1688, nxpk= 20, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1340,1341,
 &end
#
#   64 VAL  HB           55 ARG  HA          5.00    (#   1691:20  Unique         3.61, 4.12 A)
 &rst
  ixpk= 1691, nxpk= 20, iat=1045, 885, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1693    55 ARG  HA          5.00    (#   1693:20  Single Ambig)
 &rst
  ixpk= 1693, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 867, 868, 820,
 &end
#
#    0 AMB  20-2:1694    55 ARG  HA          6.00    (#   1694:20  Single Ambig)
 &rst
  ixpk= 1694, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 945, 946, 867, 868,
 &end
#
#   55 ARG  HB-          55 ARG  HA          4.00    (#   1697:20  Unique         2.33, 2.79 A)
 &rst
  ixpk= 1697, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 887, 888,
 &end
#
#   59 GLN  HB-          55 ARG  HA          6.00    (#   1698:20  Unique         3.38, 4.48 A)
 &rst
  ixpk= 1698, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 966, 967,
 &end
#
#   64 VAL  HB           55 ARG  HA          5.00    (#   1699:20  Unique         3.61, 4.12 A)
 &rst
  ixpk= 1699, nxpk= 20, iat=1045, 885, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 VAL  MGY          55 ARG  HA          5.00    (#   1701:20  Unique         1.96, 3.83 A)
 &rst
  ixpk= 1701, nxpk= 20, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#  113 ALA  MB          111 VAL  HA          4.00    (#   1705:20  Unique         2.66, 3.86 A)
 &rst
  ixpk= 1705, nxpk= 20, iat=  -1,1752, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1784,1785,1786,
 &end
#
#  131 SER  HB-         131 SER  HA          4.00    (#   1706:20  Unique         2.43, 2.79 A)
 &rst
  ixpk= 1706, nxpk= 20, iat=  -1,2063, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2065,2066,
 &end
#
#  119 LYS  HB-           0 AMB  20-1:1708   3.00    (#   1708:20  Single Ambig)
 &rst
  ixpk= 1708, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1884,1885,
 igr2=1882,2345,
 &end
#
#    0 AMB  20-2:1709     0 AMB  20-1:1709   3.00    (#   1709:20  Double Ambig)
 &rst
  ixpk= 1709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1887,1888,1890,1891,1887,1888,
 igr2=2345,1882,
 &end
#
#   39 ILE  QD1          80 LYS  HA          5.00    (#   1710:20  Unique         5.02, 5.82 A)
 &rst
  ixpk= 1710, nxpk= 20, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 648, 649, 650,
 &end
#
#   83 GLU  HB+          80 LYS  HA          3.00    (#   1712:20  Unique         2.74, 3.55 A)
 &rst
  ixpk= 1712, nxpk= 20, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1340,1341,
 &end
#
#   80 LYS  HB-          80 LYS  HA          3.00    (#   1713:20  Unique         2.27, 2.74 A)
 &rst
  ixpk= 1713, nxpk= 20, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1277,1278,
 &end
#
#    0 AMB  20-2:1715     0 AMB  20-1:1715   3.00    (#   1715:20  Double Ambig)
 &rst
  ixpk= 1715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1754, 697, 698,
 igr2=1752,2063,
 &end
#
#    0 AMB  20-2:1716   131 SER  HA          3.00    (#   1716:20  Single Ambig)
 &rst
  ixpk= 1716, nxpk= 20, iat=  -1,2063, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2065,2066, 695,
 &end
#
#  119 LYS  HG-         119 LYS  HA          5.00    (#   1717:20  Unique         3.52, 3.82 A)
 &rst
  ixpk= 1717, nxpk= 20, iat=  -1,1882, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1887,1888,
 &end
#
#   83 GLU  HG-          80 LYS  HA          5.00    (#   1719:20  Unique         4.65, 5.36 A)
 &rst
  ixpk= 1719, nxpk= 20, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1343,1344,
 &end
#
#  136 LEU  HB-         136 LEU  HA          4.00    (#   1720:20  Unique         2.20, 2.67 A)
 &rst
  ixpk= 1720, nxpk= 20, iat=  -1,2137, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2139,2140,
 &end
#
#    0 AMB  20-2:1721   136 LEU  HA          3.00    (#   1721:20  Single Ambig)
 &rst
  ixpk= 1721, nxpk= 20, iat=  -1,2137, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2139,2140,2142,
 &end
#
#  140 VAL  MGX         136 LEU  HA          5.00    (#   1722:20  Unique         4.61, 6.65 A)
 &rst
  ixpk= 1722, nxpk= 20, iat=  -1,2137, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#  136 LEU  MDX         136 LEU  HA          3.00    (#   1723:20  Unique         2.15, 3.85 A)
 &rst
  ixpk= 1723, nxpk= 20, iat=  -1,2137, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  136 LEU  MDY         136 LEU  HA          4.00    (#   1724:20  Unique         2.15, 3.85 A)
 &rst
  ixpk= 1724, nxpk= 20, iat=  -1,2137, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  20-2:1728   111 VAL  HA          5.00    (#   1728:20  Single Ambig)
 &rst
  ixpk= 1728, nxpk= 20, iat=  -1,1752, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 584, 585,1733,1734,
 &end
#
#    0 AMB  20-2:1729     0 AMB  20-1:1729   4.00    (#   1729:20  Double Ambig)
 &rst
  ixpk= 1729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 702, 703, 704, 706, 707, 708,1756,1757,1758,1760,
      1761,1762,
 igr2=2063,1752,
 &end
#
#  111 VAL  MGX         111 VAL  HA          3.00    (#   1730:20  Unique         2.05, 3.34 A)
 &rst
  ixpk= 1730, nxpk= 20, iat=  -1,1752, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#    0 AMB  20-2:1732     0 AMB  20-1:1732   6.00    (#   1732:20  Double Ambig)
 &rst
  ixpk= 1732, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1893,1894,1286,1287,
 igr2=1882,1275,
 &end
#
#    4 ARG  HB-           4 ARG  HA          4.00    (#   1736:20  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1736, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  66,  67,
 &end
#
#    0 AMB  20-2:1737     4 ARG  HA          3.00    (#   1737:20  Single Ambig)
 &rst
  ixpk= 1737, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  66,  67,1927,1928,
 &end
#
#  139 ARG  HB-         136 LEU  HA          5.00    (#   1738:20  Unique         1.88, 2.56 A)
 &rst
  ixpk= 1738, nxpk= 20, iat=  -1,2137, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2195,2196,
 &end
#
#    0 AMB  20-2:1746     4 ARG  HA          4.00    (#   1746:20  Single Ambig)
 &rst
  ixpk= 1746, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  72,  73,  72,  73,
 &end
#
#    0 AMB  20-2:1747     4 ARG  HA          4.00    (#   1747:20  Single Ambig)
 &rst
  ixpk= 1747, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  69,  70,1927,1928,
 &end
#
#    4 ARG  HG+           4 ARG  HA          4.00    (#   1748:20  Unique         2.71, 3.52 A)
 &rst
  ixpk= 1748, nxpk= 20, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  69,  70,
 &end
#
#   29 GLU  HG-          29 GLU  HA          4.00    (#   1754:20  Unique         2.14, 3.13 A)
 &rst
  ixpk= 1754, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 467, 468,
 &end
#
#   29 GLU  HG+          29 GLU  HA          4.00    (#   1755:20  Unique         2.14, 3.13 A)
 &rst
  ixpk= 1755, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 467, 468,
 &end
#
#   29 GLU  HB+          29 GLU  HA          3.00    (#   1756:20  Unique         2.36, 2.71 A)
 &rst
  ixpk= 1756, 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    (#   1757:20  Unique         2.36, 2.71 A)
 &rst
  ixpk= 1757, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 464, 465,
 &end
#
#  119 LYS  HD-          29 GLU  HA          3.00    (#   1758:20  Unique         1.99, 2.65 A)
 &rst
  ixpk= 1758, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1890,1891,
 &end
#
#  119 LYS  HB+          29 GLU  HA          5.00    (#   1759:20  Unique         2.64, 3.91 A)
 &rst
  ixpk= 1759, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1884,1885,
 &end
#
#  119 LYS  HE+          29 GLU  HA          4.00    (#   1760:20  Unique         2.63, 3.98 A)
 &rst
  ixpk= 1760, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1893,1894,
 &end
#
#  100 HIS  HB-         100 HIS  HA          4.00    (#   1761:20  Unique         2.23, 2.72 A)
 &rst
  ixpk= 1761, nxpk= 20, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1587,1588,
 &end
#
#   43 LEU  HB+          43 LEU  HA          3.00    (#   1762:20  Unique         2.37, 2.74 A)
 &rst
  ixpk= 1762, nxpk= 20, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 697, 698,
 &end
#
#    0 AMB  20-2:1767    48 MET  HA          3.00    (#   1767:20  Single Ambig)
 &rst
  ixpk= 1767, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 822, 774, 775,
 &end
#
#   48 MET  ME           48 MET  HA          4.00    (#   1768:20  Unique         1.89, 2.54 A)
 &rst
  ixpk= 1768, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 781, 782, 783,
 &end
#
#   51 VAL  MGY          48 MET  HA          4.00    (#   1769:20  Unique         2.61, 4.51 A)
 &rst
  ixpk= 1769, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#   51 VAL  MGX          48 MET  HA          5.00    (#   1770:20  Unique         2.61, 4.51 A)
 &rst
  ixpk= 1770, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#    0 AMB  20-2:1772   135 MET  HA          6.00    (#   1772:20  Single Ambig)
 &rst
  ixpk= 1772, nxpk= 20, iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2182,2183,2109,2110,
 &end
#
#    0 AMB  20-2:1773    43 LEU  HA          3.00    (#   1773:20  Single Ambig)
 &rst
  ixpk= 1773, nxpk= 20, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 697, 698,1770,1771,
 &end
#
#   48 MET  HG-          48 MET  HA          4.00    (#   1775:20  Unique         2.18, 3.06 A)
 &rst
  ixpk= 1775, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 777, 778,
 &end
#
#   48 MET  HB+          48 MET  HA          3.00    (#   1776:20  Unique         2.81, 2.90 A)
 &rst
  ixpk= 1776, nxpk= 20, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 774, 775,
 &end
#
#  144 LEU  HG          144 LEU  HA          3.00    (#   1778:20  Unique         2.85, 2.96 A)
 &rst
  ixpk= 1778, nxpk= 20, iat=2292,2287, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   43 LEU  MDX          43 LEU  HA          3.00    (#   1779:20  Unique         1.99, 3.83 A)
 &rst
  ixpk= 1779, nxpk= 20, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#  102 LEU  HB+         102 LEU  HA          4.00    (#   1780:20  Unique         2.32, 2.63 A)
 &rst
  ixpk= 1780, nxpk= 20, iat=  -1,1612, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1614,1615,
 &end
#
#    0 AMB  20-2:1781   144 LEU  HA          4.00    (#   1781:20  Single Ambig)
 &rst
  ixpk= 1781, nxpk= 20, iat=  -1,2287, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 498, 499,2271,
 &end
#
#  144 LEU  HB-         144 LEU  HA          3.00    (#   1782:20  Unique         2.37, 2.73 A)
 &rst
  ixpk= 1782, nxpk= 20, iat=  -1,2287, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2289,2290,
 &end
#
#  144 LEU  MDY         144 LEU  HA          4.00    (#   1784:20  Unique         2.00, 3.95 A)
 &rst
  ixpk= 1784, nxpk= 20, iat=  -1,2287, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#  136 LEU  MDY         139 ARG  HA          5.00    (#   1785:20  Unique         5.13, 7.09 A)
 &rst
  ixpk= 1785, nxpk= 20, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#   25 GLN  HG+          25 GLN  HA          3.00    (#   1790:20  Unique         2.10, 2.66 A)
 &rst
  ixpk= 1790, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 405, 406,
 &end
#
#  103 THR  MG2         109 GLU  HA          6.00    (#   1791:20  Unique         4.77, 6.40 A)
 &rst
  ixpk= 1791, nxpk= 20, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1635,1636,1637,
 &end
#
#   73 GLU  HB-          73 GLU  HA          5.00    (#   1793:20  Unique         2.35, 2.63 A)
 &rst
  ixpk= 1793, nxpk= 20, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1186,1187,
 &end
#
#    0 AMB  20-2:1794     0 AMB  20-1:1794   3.00    (#   1794:20  Double Ambig)
 &rst
  ixpk= 1794, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1225,1226, 152, 153,
 igr2=1184, 150,
 &end
#
#  139 ARG  HD-         139 ARG  HA          3.00    (#   1795:20  Unique         1.95, 2.73 A)
 &rst
  ixpk= 1795, nxpk= 20, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2201,2202,
 &end
#
#  139 ARG  HD+         139 ARG  HA          4.00    (#   1796:20  Unique         1.95, 2.73 A)
 &rst
  ixpk= 1796, nxpk= 20, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2201,2202,
 &end
#
#    0 AMB  20-2:1797     0 AMB  20-1:1797   3.00    (#   1797:20  Double Ambig)
 &rst
  ixpk= 1797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2249,2250, 152, 153,1186,1187,
 igr2=2193, 150,1184,
 &end
#
#  139 ARG  HG+         139 ARG  HA          3.00    (#   1798:20  Unique         2.28, 3.11 A)
 &rst
  ixpk= 1798, nxpk= 20, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2198,2199,
 &end
#
#    0 AMB  20-2:1799     0 AMB  20-1:1799   4.00    (#   1799:20  Double Ambig)
 &rst
  ixpk= 1799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=2195,2196, 188, 189, 190,
 igr2=2193, 150,
 &end
#
#    0 AMB  20-2:1801   102 LEU  HA          3.00    (#   1801:20  Single Ambig)
 &rst
  ixpk= 1801, nxpk= 20, iat=  -1,1612, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1659,1660,1661, 141, 142,
 &end
#
#  102 LEU  MDX         102 LEU  HA          4.00    (#   1802:20  Unique         1.99, 4.22 A)
 &rst
  ixpk= 1802, nxpk= 20, iat=  -1,1612, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#  102 LEU  MDY         102 LEU  HA          6.00    (#   1803:20  Unique         1.99, 4.22 A)
 &rst
  ixpk= 1803, nxpk= 20, iat=  -1,1612, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#    0 AMB  20-2:1804     0 AMB  20-1:1804   4.00    (#   1804:20  Double Ambig)
 &rst
  ixpk= 1804, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 155, 156,2321,2322,
 igr2=1612,2316,
 &end
#
#  146 GLU  HB-         146 GLU  HA          3.00    (#   1805:20  Unique         2.33, 2.67 A)
 &rst
  ixpk= 1805, nxpk= 20, iat=  -1,2316, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2318,2319,
 &end
#
#  146 GLU  HG-         146 GLU  HA          4.00    (#   1806:20  Unique         2.52, 3.48 A)
 &rst
  ixpk= 1806, nxpk= 20, iat=  -1,2316, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2321,2322,
 &end
#
#    0 AMB  20-2:1807    25 GLN  HA          3.00    (#   1807:20  Single Ambig)
 &rst
  ixpk= 1807, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 402, 403, 390, 391,
 &end
#
#   25 GLN  HB+          25 GLN  HA          3.00    (#   1808:20  Unique         2.54, 2.83 A)
 &rst
  ixpk= 1808, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 402, 403,
 &end
#
#  109 GLU  HG-         109 GLU  HA          3.00    (#   1810:20  Unique         2.06, 2.65 A)
 &rst
  ixpk= 1810, nxpk= 20, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1721,1722,
 &end
#
#  109 GLU  HG+         109 GLU  HA          4.00    (#   1811:20  Unique         2.06, 2.65 A)
 &rst
  ixpk= 1811, nxpk= 20, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1721,1722,
 &end
#
#  109 GLU  HB-         109 GLU  HA          3.00    (#   1812:20  Unique         2.52, 2.83 A)
 &rst
  ixpk= 1812, nxpk= 20, iat=  -1,1716, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1718,1719,
 &end
#
#    9 GLU  HG-           9 GLU  HA          4.00    (#   1813:20  Unique         2.52, 3.48 A)
 &rst
  ixpk= 1813, nxpk= 20, iat=  -1, 150, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 155, 156,
 &end
#
#    0 AMB  20-2:1814     0 AMB  20-1:1814   4.00    (#   1814:20  Double Ambig)
 &rst
  ixpk= 1814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1228,2252,2253,
 igr2=1184,2193,
 &end
#
#    0 AMB  20-2:1815   139 ARG  HA          5.00    (#   1815:20  Single Ambig)
 &rst
  ixpk= 1815, nxpk= 20, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2255,2256,1987,1988,
 &end
#
#    0 AMB  20-2:1816   139 ARG  HA          4.00    (#   1816:20  Single Ambig)
 &rst
  ixpk= 1816, nxpk= 20, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#    0 AMB  20-2:1817     0 AMB  20-1:1817   6.00    (#   1817:20  Double Ambig)
 &rst
  ixpk= 1817, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1619,1620,1621,1623,1624,1625,2221,2222,2223,2225,
      2226,2227,
 igr2= 150,2193,
 &end
#
#  136 LEU  MDY         139 ARG  HA          5.00    (#   1818:20  Unique         5.13, 7.09 A)
 &rst
  ixpk= 1818, nxpk= 20, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  20-2:1819     3 LEU  HA          3.00    (#   1819:20  Single Ambig)
 &rst
  ixpk= 1819, nxpk= 20, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=  47,  48,  50,
 &end
#
#    0 AMB  20-2:1820     3 LEU  HA          3.00    (#   1820:20  Single Ambig)
 &rst
  ixpk= 1820, nxpk= 20, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1944,1945,  47,  48,
 &end
#
#    3 LEU  MDX           3 LEU  HA          4.00    (#   1821:20  Unique         1.98, 3.89 A)
 &rst
  ixpk= 1821, 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
#
#   40 SER  HB+          40 SER  HA          3.00    (#   1825:20  Unique         2.38, 2.67 A)
 &rst
  ixpk= 1825, nxpk= 20, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 658, 659,
 &end
#
#   39 ILE  QD1          40 SER  HA          5.00    (#   1826:20  Unique         5.13, 5.99 A)
 &rst
  ixpk= 1826, nxpk= 20, iat=  -1, 656, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 648, 649, 650,
 &end
#
#  103 THR  MG2         104 ASP  HA          6.00    (#   1828:20  Unique         3.82, 5.59 A)
 &rst
  ixpk= 1828, nxpk= 20, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1635,1636,1637,
 &end
#
#    0 AMB  20-2:1829   102 LEU  HA          4.00    (#   1829:20  Single Ambig)
 &rst
  ixpk= 1829, nxpk= 20, iat=  -1,1612, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1614,1615, 138, 139,
 &end
#
#    0 AMB  20-2:1831     0 AMB  20-1:1831   4.00    (#   1831:20  Double Ambig)
 &rst
  ixpk= 1831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=  69,  70,1721,1722,  15,  16,  17,1966,1967,
 igr2=  45,1687,
 &end
#
#  123 LEU  HG            3 LEU  HA          4.00    (#   1832:20  Unique         1.92, 2.59 A)
 &rst
  ixpk= 1832, nxpk= 20, iat=1947,  45, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3 LEU  MDY           3 LEU  HA          3.00    (#   1833:20  Unique         1.98, 3.89 A)
 &rst
  ixpk= 1833, nxpk= 20, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  20-2:1835     0 AMB  20-1:1835   3.00    (#   1835:20  Double Ambig)
 &rst
  ixpk= 1835, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 911, 912, 911, 912,1647,1648,
 igr2= 909,1645,
 &end
#
#    0 AMB  20-2:1836    56 ASP  HA          4.00    (#   1836:20  Single Ambig)
 &rst
  ixpk= 1836, nxpk= 20, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 890, 891, 887, 888,
 &end
#
#    0 AMB  20-2:1840   107 GLU  HA          3.00    (#   1840:20  Single Ambig)
 &rst
  ixpk= 1840, nxpk= 20, iat=  -1,1687, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1692,1693,1689,1690,
 &end
#
#  123 LEU  HB+         123 LEU  HA          4.00    (#   1841:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 1841, nxpk= 20, iat=  -1,1942, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1944,1945,
 &end
#
#    0 AMB  20-2:1842   123 LEU  HA          5.00    (#   1842:20  Single Ambig)
 &rst
  ixpk= 1842, nxpk= 20, iat=  -1,1942, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1966,1967, 110, 111,1927,1928,
 &end
#
#  104 ASP  HA          107 GLU  HA          5.00    (#   1849:20  Unique         3.66, 4.15 A)
 &rst
  ixpk= 1849, nxpk= 20, iat=1645,1687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  107 GLU  HB+         107 GLU  HA          3.00    (#   1850:20  Unique         2.62, 2.85 A)
 &rst
  ixpk= 1850, nxpk= 20, iat=  -1,1687, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1689,1690,
 &end
#
#    0 AMB  20-2:1851   123 LEU  HA          6.00    (#   1851:20  Single Ambig)
 &rst
  ixpk= 1851, nxpk= 20, iat=  -1,1942, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1927,1928,  15,  16,  17,
 &end
#
#  123 LEU  MDY         123 LEU  HA          4.00    (#   1852:20  Unique         1.91, 3.60 A)
 &rst
  ixpk= 1852, nxpk= 20, iat=  -1,1942, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#  141 ASN  HB-         141 ASN  HA          4.00    (#   1860:20  Unique         2.40, 2.76 A)
 &rst
  ixpk= 1860, nxpk= 20, iat=  -1,2233, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2235,2236,
 &end
#
#  141 ASN  HB+         141 ASN  HA          3.00    (#   1861:20  Unique         2.40, 2.76 A)
 &rst
  ixpk= 1861, nxpk= 20, iat=  -1,2233, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2235,2236,
 &end
#
#  144 LEU  MDY         141 ASN  HA          3.00    (#   1862:20  Unique         1.96, 3.86 A)
 &rst
  ixpk= 1862, nxpk= 20, iat=  -1,2233, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:1863    61 GLN  HA          3.00    (#   1863:20  Single Ambig)
 &rst
  ixpk= 1863, nxpk= 20, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 998, 999, 995, 996,
 &end
#
#    0 AMB  20-2:1864    61 GLN  HA          4.00    (#   1864:20  Single Ambig)
 &rst
  ixpk= 1864, nxpk= 20, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 995, 996, 479, 480,
 &end
#
#    0 AMB  20-2:1865    61 GLN  HA          4.00    (#   1865:20  Single Ambig)
 &rst
  ixpk= 1865, nxpk= 20, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 482, 483, 485, 486,
 &end
#
#  144 LEU  MDX         141 ASN  HA          3.00    (#   1882:20  Unique         1.96, 3.86 A)
 &rst
  ixpk= 1882, nxpk= 20, iat=  -1,2233, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#   71 ARG  HD-          71 ARG  HA          5.00    (#   1886:20  Unique         2.34, 4.31 A)
 &rst
  ixpk= 1886, nxpk= 20, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1157,1158,
 &end
#
#    0 AMB  20-2:1887    71 ARG  HA          3.00    (#   1887:20  Single Ambig)
 &rst
  ixpk= 1887, nxpk= 20, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1151,1152,1123,1124,
 &end
#
#    0 AMB  20-2:1888    71 ARG  HA          3.00    (#   1888:20  Single Ambig)
 &rst
  ixpk= 1888, nxpk= 20, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1154,1155,1151,1152,
 &end
#
#   96 VAL  MGY          95 PHE  HA          5.00    (#   1891:20  Unique         3.30, 5.54 A)
 &rst
  ixpk= 1891, nxpk= 20, iat=  -1,1514, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#   88 HIS  HB-          88 HIS  HA          4.00    (#   1898:20  Unique         2.30, 2.76 A)
 &rst
  ixpk= 1898, nxpk= 20, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1404,1405,
 &end
#
#   71 ARG  HG-          71 ARG  HA          3.00    (#   1899:20  Unique         2.23, 2.56 A)
 &rst
  ixpk= 1899, nxpk= 20, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1154,1155,
 &end
#
#  111 VAL  MGY          71 ARG  HA          6.00    (#   1900:20  Unique         5.28, 7.60 A)
 &rst
  ixpk= 1900, nxpk= 20, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#   74 ASP  HB-          74 ASP  HA          3.00    (#   1904:20  Unique         2.37, 2.82 A)
 &rst
  ixpk= 1904, nxpk= 20, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1201,1202,
 &end
#
#   74 ASP  HB+          74 ASP  HA          3.00    (#   1910:20  Unique         2.37, 2.82 A)
 &rst
  ixpk= 1910, nxpk= 20, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1201,1202,
 &end
#
#   90 ILE  HG1+         85 ALA  HA          5.00    (#   1911:20  Unique         2.06, 3.12 A)
 &rst
  ixpk= 1911, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1439,1440,
 &end
#
#    0 AMB  20-2:1912    85 ALA  HA          5.00    (#   1912:20  Single Ambig)
 &rst
  ixpk= 1912, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1506,1507,1508, 283, 284, 285, 287, 288, 289,
 &end
#
#   85 ALA  MB           85 ALA  HA          3.00    (#   1916:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 1916, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1369,1370,1371,
 &end
#
#    0 AMB  20-2:1917    85 ALA  HA          5.00    (#   1917:20  Single Ambig)
 &rst
  ixpk= 1917, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1435,1436,1437,1301,1302,1303,
 &end
#
#   90 ILE  QD1          85 ALA  HA          4.00    (#   1918:20  Unique         1.94, 2.89 A)
 &rst
  ixpk= 1918, nxpk= 20, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1442,1443,1444,
 &end
#
#  101 ALA  MB          101 ALA  HA          3.00    (#   1924:20  Unique         2.26, 2.66 A)
 &rst
  ixpk= 1924, nxpk= 20, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1604,1605,1606,
 &end
#
#    5 GLN  HB+           1 MET  HA          5.00    (#   1925:20  Unique         1.94, 4.37 A)
 &rst
  ixpk= 1925, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  90,  91,
 &end
#
#    1 MET  HB+           1 MET  HA          3.00    (#   1926:20  Unique         2.38, 2.72 A)
 &rst
  ixpk= 1926, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=   8,   9,
 &end
#
#    0 AMB  20-2:1927     1 MET  HA          5.00    (#   1927:20  Single Ambig)
 &rst
  ixpk= 1927, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=  15,  16,  17,  25,  26,
 &end
#
#    2 LYS  HG-           1 MET  HA          5.00    (#   1928:20  Unique         2.89, 4.49 A)
 &rst
  ixpk= 1928, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  28,  29,
 &end
#
#   89 ASP  HB-          89 ASP  HA          3.00    (#   1933:20  Unique         2.44, 2.80 A)
 &rst
  ixpk= 1933, nxpk= 20, iat=  -1,1419, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1421,1422,
 &end
#
#    0 AMB  20-2:1934     0 AMB  20-1:1934   3.00    (#   1934:20  Double Ambig)
 &rst
  ixpk= 1934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1421,1422, 155, 156,
 igr2=1419,1602,
 &end
#
#    0 AMB  20-2:1935     0 AMB  20-1:1935   4.00    (#   1935:20  Double Ambig)
 &rst
  ixpk= 1935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1454,1455,1456,1635,1636,1637,
 igr2= 836,1419,1602,
 &end
#
#  104 ASP  HB-         101 ALA  HA          5.00    (#   1936:20  Unique         2.89, 3.92 A)
 &rst
  ixpk= 1936, nxpk= 20, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1647,1648,
 &end
#
#  104 ASP  HB+         101 ALA  HA          4.00    (#   1937:20  Unique         2.89, 3.92 A)
 &rst
  ixpk= 1937, nxpk= 20, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1647,1648,
 &end
#
#    0 AMB  20-2:1941     1 MET  HA          4.00    (#   1941:20  Single Ambig)
 &rst
  ixpk= 1941, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  93,  94,  11,  12,
 &end
#
#  123 LEU  MDX           1 MET  HA          5.00    (#   1942:20  Unique         4.50, 6.89 A)
 &rst
  ixpk= 1942, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#   14 LYS  HE+          14 LYS  HA          5.00    (#   1944:20  Unique         4.94, 5.40 A)
 &rst
  ixpk= 1944, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 231, 232,
 &end
#
#   14 LYS  HB+          14 LYS  HA          3.00    (#   1945:20  Unique         2.33, 2.71 A)
 &rst
  ixpk= 1945, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 222, 223,
 &end
#
#   14 LYS  HB-          14 LYS  HA          3.00    (#   1946:20  Unique         2.33, 2.71 A)
 &rst
  ixpk= 1946, 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    (#   1947:20  Unique         2.36, 3.07 A)
 &rst
  ixpk= 1947, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 225, 226,
 &end
#
#   15 ALA  MB           14 LYS  HA          5.00    (#   1948:20  Unique         4.61, 5.56 A)
 &rst
  ixpk= 1948, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 244, 245, 246,
 &end
#
#    0 AMB  20-2:1949    26 LEU  HA          3.00    (#   1949:20  Single Ambig)
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 422, 419, 420, 419, 420,
 &end
#
#    0 AMB  20-2:1950    26 LEU  HA          4.00    (#   1950:20  Single Ambig)
 &rst
  ixpk= 1950, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 424, 425, 426, 428, 429, 430, 335, 336, 337, 339,
       340, 341,
 &end
#
#   51 VAL  MGY          52 ASN  HA          4.00    (#   1951:20  Unique         2.92, 4.93 A)
 &rst
  ixpk= 1951, nxpk= 20, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#  105 ALA  MB          105 ALA  HA          3.00    (#   1956:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 1956, nxpk= 20, iat=  -1,1657, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1659,1660,1661,
 &end
#
#    0 AMB  20-2:1957     0 AMB  20-1:1957   4.00    (#   1957:20  Double Ambig)
 &rst
  ixpk= 1957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1635,1636,1637,1454,1455,1456,1614,1615,
 igr2=1702,1419,
 &end
#
#    0 AMB  20-2:1958     0 AMB  20-1:1958   4.00    (#   1958:20  Double Ambig)
 &rst
  ixpk= 1958, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1431, 361,
 igr2= 836, 417,
 &end
#
#   55 ARG  HB-          52 ASN  HA          4.00    (#   1959:20  Unique         2.06, 3.34 A)
 &rst
  ixpk= 1959, nxpk= 20, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 887, 888,
 &end
#
#    0 AMB  20-2:1960    52 ASN  HA          6.00    (#   1960:20  Single Ambig)
 &rst
  ixpk= 1960, nxpk= 20, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 820, 867, 868,
 &end
#
#  108 ASN  HB+         108 ASN  HA          3.00    (#   1967:20  Unique         2.28, 2.75 A)
 &rst
  ixpk= 1967, nxpk= 20, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1704,1705,
 &end
#
#   18 ASN  HB-          18 ASN  HA          4.00    (#   1972:20  Unique         2.30, 2.80 A)
 &rst
  ixpk= 1972, nxpk= 20, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 297, 298,
 &end
#
#   18 ASN  HB+          18 ASN  HA          3.00    (#   1973:20  Unique         2.30, 2.80 A)
 &rst
  ixpk= 1973, nxpk= 20, iat=  -1, 295, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 297, 298,
 &end
#
#   52 ASN  HB+          52 ASN  HA          3.00    (#   1974:20  Unique         2.28, 2.56 A)
 &rst
  ixpk= 1974, nxpk= 20, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 838, 839,
 &end
#
#    0 AMB  20-2:1975    52 ASN  HA          6.00    (#   1975:20  Single Ambig)
 &rst
  ixpk= 1975, nxpk= 20, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 820, 867, 868,
 &end
#
#   20 GLU  HG-          20 GLU  HA          5.00    (#   1976:20  Unique         2.05, 3.04 A)
 &rst
  ixpk= 1976, nxpk= 20, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 321, 322,
 &end
#
#   20 GLU  HG+          20 GLU  HA          5.00    (#   1977:20  Unique         2.05, 3.04 A)
 &rst
  ixpk= 1977, nxpk= 20, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 321, 322,
 &end
#
#   20 GLU  HB-          20 GLU  HA          3.00    (#   1978:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 1978, nxpk= 20, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 318, 319,
 &end
#
#    0 AMB  20-2:1979    20 GLU  HA          5.00    (#   1979:20  Single Ambig)
 &rst
  ixpk= 1979, nxpk= 20, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 335, 336, 337, 339, 340, 341, 335, 336, 337, 339,
       340, 341,
 &end
#
#    0 AMB  20-2:1980    20 GLU  HA          5.00    (#   1980:20  Single Ambig)
 &rst
  ixpk= 1980, nxpk= 20, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 254, 255,1514,
 &end
#
#   86 ALA  MB           86 ALA  HA          3.00    (#   1984:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1984, nxpk= 20, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1379,1380,1381,
 &end
#
#    6 PRO  HD+           5 GLN  HA          3.00    (#   1986:20  Unique         2.06, 2.36 A)
 &rst
  ixpk= 1986, 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    (#   1987:20  Unique         2.06, 2.36 A)
 &rst
  ixpk= 1987, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 104, 105,
 &end
#
#    0 AMB  20-2:1988     0 AMB  20-1:1988   5.00    (#   1988:20  Double Ambig)
 &rst
  ixpk= 1988, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=  93,  94,  11,  12,
 igr2=  88,  23,
 &end
#
#    5 GLN  HB+           5 GLN  HA          3.00    (#   1989:20  Unique         2.26, 2.69 A)
 &rst
  ixpk= 1989, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  90,  91,
 &end
#
#    5 GLN  HB-           5 GLN  HA          3.00    (#   1990:20  Unique         2.26, 2.69 A)
 &rst
  ixpk= 1990, nxpk= 20, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  90,  91,
 &end
#
#    3 LEU  MDX           2 LYS  HA          6.00    (#   1991:20  Unique         3.39, 5.31 A)
 &rst
  ixpk= 1991, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    1 MET  HA            0 AMB  20-1:1997   5.00    (#   1997:20  Single Ambig)
 &rst
  ixpk= 1997, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  88,  23,
 &end
#
#    2 LYS  HB+           2 LYS  HA          3.00    (#   1998:20  Unique         2.29, 2.48 A)
 &rst
  ixpk= 1998, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  25,  26,
 &end
#
#    2 LYS  HB-           2 LYS  HA          3.00    (#   1999:20  Unique         2.29, 2.48 A)
 &rst
  ixpk= 1999, 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          4.00    (#   2000:20  Unique         2.86, 3.71 A)
 &rst
  ixpk= 2000, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  28,  29,
 &end
#
#    0 AMB  20-2:2002     2 LYS  HA          4.00    (#   2002:20  Single Ambig)
 &rst
  ixpk= 2002, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1949,1950,1951,1953,1954,1955,  52,  53,  54,  56,
        57,  58,
 &end
#
#    8 PRO  HD+           7 MET  HA          4.00    (#   2003:20  Unique         2.04, 2.19 A)
 &rst
  ixpk= 2003, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 135, 136,
 &end
#
#    8 PRO  HD-           7 MET  HA          4.00    (#   2004:20  Unique         2.04, 2.19 A)
 &rst
  ixpk= 2004, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 135, 136,
 &end
#
#    0 AMB  20-2:2005     7 MET  HA          4.00    (#   2005:20  Single Ambig)
 &rst
  ixpk= 2005, 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    (#   2006:20  Unique         3.44, 4.46 A)
 &rst
  ixpk= 2006, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 128, 129, 130,
 &end
#
#  135 MET  ME          127 GLN  HA          6.00    (#   2010:20  Unique         4.45, 5.56 A)
 &rst
  ixpk= 2010, nxpk= 20, iat=  -1,2022, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2129,2130,2131,
 &end
#
#  127 GLN  HB+         127 GLN  HA          3.00    (#   2011:20  Unique         2.45, 2.84 A)
 &rst
  ixpk= 2011, nxpk= 20, iat=  -1,2022, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2024,2025,
 &end
#
#  128 ALA  MB          127 GLN  HA          5.00    (#   2012:20  Unique         4.02, 4.84 A)
 &rst
  ixpk= 2012, nxpk= 20, iat=  -1,2022, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2041,2042,2043,
 &end
#
#   10 LEU  MDY          10 LEU  HA          3.00    (#   2024:20  Unique         1.98, 3.83 A)
 &rst
  ixpk= 2024, 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  20-2:2028    10 LEU  HA          5.00    (#   2028:20  Single Ambig)
 &rst
  ixpk= 2028, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 188, 189, 190, 138, 139,
 &end
#
#  102 LEU  MDX          10 LEU  HA          3.00    (#   2029:20  Unique         1.99, 4.71 A)
 &rst
  ixpk= 2029, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#   10 LEU  MDX          10 LEU  HA          4.00    (#   2030:20  Unique         1.98, 3.83 A)
 &rst
  ixpk= 2030, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 172, 173, 174, 176, 177, 178,
 &end
#
#  102 LEU  MDY          10 LEU  HA          5.00    (#   2031:20  Unique         1.99, 4.71 A)
 &rst
  ixpk= 2031, nxpk= 20, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#    9 GLU  HA           10 LEU  HA          6.00    (#   2032:20  Unique         4.39, 4.57 A)
 &rst
  ixpk= 2032, nxpk= 20, iat= 150, 165, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2033    47 ALA  HA          4.00    (#   2033:20  Single Ambig)
 &rst
  ixpk= 2033, nxpk= 20, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 749, 750, 791, 792,
 &end
#
#   49 PRO  HB+          47 ALA  HA          6.00    (#   2035:20  Unique         6.07, 6.58 A)
 &rst
  ixpk= 2035, nxpk= 20, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 794, 795,
 &end
#
#    0 AMB  20-2:2037   145 ALA  HA          5.00    (#   2037:20  Single Ambig)
 &rst
  ixpk= 2037, nxpk= 20, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2287,2247,
 &end
#
#  145 ALA  MB          145 ALA  HA          3.00    (#   2038:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 2038, nxpk= 20, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2308,2309,2310,
 &end
#
#    0 AMB  20-2:2039   145 ALA  HA          6.00    (#   2039:20  Single Ambig)
 &rst
  ixpk= 2039, nxpk= 20, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2350,2351,2318,2319,
 &end
#
#  132 GLY  HA-          47 ALA  HA          5.00    (#   2040:20  Unique         2.25, 2.80 A)
 &rst
  ixpk= 2040, nxpk= 20, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2074,2075,
 &end
#
#    0 AMB  20-2:2041    47 ALA  HA          4.00    (#   2041:20  Single Ambig)
 &rst
  ixpk= 2041, nxpk= 20, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 805, 806, 808, 809,
 &end
#
#   47 ALA  MB           47 ALA  HA          3.00    (#   2042:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 2042, nxpk= 20, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 764, 765, 766,
 &end
#
#  144 LEU  HB+         145 ALA  HA          5.00    (#   2043:20  Unique         4.27, 4.49 A)
 &rst
  ixpk= 2043, nxpk= 20, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2289,2290,
 &end
#
#  144 LEU  MDX         145 ALA  HA          6.00    (#   2044:20  Unique         6.17, 7.18 A)
 &rst
  ixpk= 2044, nxpk= 20, iat=  -1,2306, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#   16 TRP  HB+          15 ALA  HA          5.00    (#   2056:20  Unique         4.50, 5.14 A)
 &rst
  ixpk= 2056, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 254, 255,
 &end
#
#   15 ALA  MB           15 ALA  HA          3.00    (#   2060:20  Unique         2.24, 2.66 A)
 &rst
  ixpk= 2060, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 244, 245, 246,
 &end
#
#   78 PRO  HA           78 PRO  HD+         6.00    (#   2065:20  Unique         3.79, 3.88 A)
 &rst
  ixpk= 2065, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1253,1254,
 &end
#
#   78 PRO  HG+          78 PRO  HD+         4.00    (#   2068:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1256,1257,
 igr2=1253,1254,
 &end
#
#   78 PRO  HG-          78 PRO  HD+         4.00    (#   2069:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1256,1257,
 igr2=1253,1254,
 &end
#
#   78 PRO  HB+          78 PRO  HD+         4.00    (#   2072:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 2072, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1259,1260,
 igr2=1253,1254,
 &end
#
#   78 PRO  HA           78 PRO  HD+         6.00    (#   2073:20  Unique         3.79, 3.88 A)
 &rst
  ixpk= 2073, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1253,1254,
 &end
#
#   78 PRO  HG+          78 PRO  HD-         3.00    (#   2074:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1256,1257,
 igr2=1253,1254,
 &end
#
#    8 PRO  HB-           8 PRO  HD+         6.00    (#   2075:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 2075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 141, 142,
 igr2= 135, 136,
 &end
#
#    0 AMB  20-2:2077     0 AMB  20-1:2077   4.00    (#   2077:20  Double Ambig)
 &rst
  ixpk= 2077, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 170,  15,  16,  17,
 igr2= 135, 136, 135, 136,
 &end
#
#    7 MET  HA            8 PRO  HD-         4.00    (#   2078:20  Unique         2.04, 2.19 A)
 &rst
  ixpk= 2078, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 135, 136,
 &end
#
#    0 AMB  20-2:2080     8 PRO  HD-         4.00    (#   2080:20  Single Ambig)
 &rst
  ixpk= 2080, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 170,  15,  16,  17,
 igr2= 135, 136,
 &end
#
#    8 PRO  HG-           8 PRO  HD-         4.00    (#   2081:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2081, 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  HG-           8 PRO  HD-         5.00    (#   2082:20  Unique         3.78, 5.05 A)
 &rst
  ixpk= 2082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 124, 125,
 igr2= 135, 136,
 &end
#
#    8 PRO  HG+           8 PRO  HD-         5.00    (#   2083:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2083, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 138, 139,
 igr2= 135, 136,
 &end
#
#    0 AMB  20-2:2084     0 AMB  20-1:2084   5.00    (#   2084:20  Double Ambig)
 &rst
  ixpk= 2084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1244,1245, 135, 136,
 igr2=1253,1254, 104, 105,
 &end
#
#    8 PRO  HG-           8 PRO  HD+         4.00    (#   2085:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2085, 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+         3.00    (#   2086:20  Unique         2.04, 2.19 A)
 &rst
  ixpk= 2086, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 135, 136,
 &end
#
#    7 MET  HG-           8 PRO  HD+         5.00    (#   2087:20  Unique         3.78, 5.05 A)
 &rst
  ixpk= 2087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 124, 125,
 igr2= 135, 136,
 &end
#
#    8 PRO  HG+           8 PRO  HD+         5.00    (#   2088:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 2088, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 138, 139,
 igr2= 135, 136,
 &end
#
#    8 PRO  HB-           8 PRO  HD-         6.00    (#   2089:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 2089, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 141, 142,
 igr2= 135, 136,
 &end
#
#    5 GLN  HA            6 PRO  HD+         3.00    (#   2095:20  Unique         2.06, 2.36 A)
 &rst
  ixpk= 2095, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 104, 105,
 &end
#
#  123 LEU  HB-           6 PRO  HD+         6.00    (#   2097:20  Unique         3.68, 5.22 A)
 &rst
  ixpk= 2097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1944,1945,
 igr2= 104, 105,
 &end
#
#   45 LYS  HD-          49 PRO  HD+         6.00    (#   2098:20  Unique         5.27, 6.38 A)
 &rst
  ixpk= 2098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 733, 734,
 igr2= 788, 789,
 &end
#
#    0 AMB  20-2:2099     0 AMB  20-1:2099   5.00    (#   2099:20  Double Ambig)
 &rst
  ixpk= 2099, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 808, 809,  93,  94,
 igr2= 788, 789, 104, 105,
 &end
#
#    5 GLN  HA            6 PRO  HD-         3.00    (#   2100:20  Unique         2.06, 2.36 A)
 &rst
  ixpk= 2100, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 104, 105,
 &end
#
#   48 MET  HB+          49 PRO  HD+         3.00    (#   2103:20  Unique         1.83, 2.69 A)
 &rst
  ixpk= 2103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 774, 775,
 igr2= 788, 789,
 &end
#
#   49 PRO  HA           49 PRO  HD-         4.00    (#   2108:20  Unique         3.79, 3.88 A)
 &rst
  ixpk= 2108, nxpk= 20, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 788, 789,
 &end
#
#    0 AMB  20-2:2109     0 AMB  20-1:2109   4.00    (#   2109:20  Double Ambig)
 &rst
  ixpk= 2109, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 747,1562,2074,2075,
 igr2= 788, 789,1134,1135,
 &end
#
#   30 LYS  HB-          31 PRO  HD-         3.00    (#   2117:20  Unique         1.85, 3.09 A)
 &rst
  ixpk= 2117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 479, 480,
 igr2= 498, 499,
 &end
#
#    0 AMB  20-2:2121     0 AMB  20-1:2121   4.00    (#   2121:20  Double Ambig)
 &rst
  ixpk= 2121, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 702, 703, 704, 706, 707, 708,1538,1539,1540,1542,
      1543,1544,1756,1757,1758,1760,1761,1762,
 igr2=1767,1768,1134,1135,
 &end
#
#   92 GLN  HA            0 AMB  20-1:2130   3.00    (#   2130:20  Single Ambig)
 &rst
  ixpk= 2130, nxpk= 20, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1480,1481,1480,1481,
 &end
#
#    0 AMB  20-2:2133    31 PRO  HD-         5.00    (#   2133:20  Single Ambig)
 &rst
  ixpk= 2133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1884,1885, 482, 483, 485, 486,
 igr2= 498, 499,
 &end
#
#   44 CYS  HA          112 PRO  HD+         6.00    (#   2137:20  Unique         4.31, 5.48 A)
 &rst
  ixpk= 2137, nxpk= 20, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1767,1768,
 &end
#
#    0 AMB  20-2:2140     0 AMB  20-1:2140   3.00    (#   2140:20  Double Ambig)
 &rst
  ixpk= 2140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 479, 480,1012,1013, 501, 502,
 igr2= 498, 499, 498, 499, 498, 499,
 &end
#
#   30 LYS  HB-          31 PRO  HD+         5.00    (#   2141:20  Unique         1.85, 3.09 A)
 &rst
  ixpk= 2141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 479, 480,
 igr2= 498, 499,
 &end
#
#    0 AMB  20-2:2142     0 AMB  20-1:2142   5.00    (#   2142:20  Double Ambig)
 &rst
  ixpk= 2142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=1884,1885, 482, 483, 485, 486,
 igr2= 498, 499, 498, 499, 498, 499,
 &end
#
#  144 LEU  MDX          31 PRO  HD+         4.00    (#   2143:20  Unique         2.06, 4.50 A)
 &rst
  ixpk= 2143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2= 498, 499,
 &end
#
#   65 VAL  HA            0 AMB  20-1:2147   6.00    (#   2147:20  Single Ambig)
 &rst
  ixpk= 2147, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1480,1481,1480,1481,
 &end
#
#    0 AMB  20-2:2149     0 AMB  20-1:2149   4.00    (#   2149:20  Double Ambig)
 &rst
  ixpk= 2149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1486,1487,1486,1487,1486,1487,
 igr2=1480,1481,1480,1481,1480,1481,
 &end
#
#    0 AMB  20-2:2150     0 AMB  20-1:2150   3.00    (#   2150:20  Double Ambig)
 &rst
  ixpk= 2150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1466,1467,1483,1484,
 igr2=1480,1481,1480,1481,
 &end
#
#   65 VAL  MGX           0 AMB  20-1:2151   5.00    (#   2151:20  Single Ambig)
 &rst
  ixpk= 2151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1063,1064,1065,1067,1068,1069,
 igr2=1480,1481,1480,1481,
 &end
#
#    0 AMB  20-2:2152     0 AMB  20-1:2152   6.00    (#   2152:20  Double Ambig)
 &rst
  ixpk= 2152, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.74, r4=14.24,
 igr1= 335, 336, 337, 339, 340, 341, 335, 336, 337, 339,
       340, 341, 424, 425, 426, 428, 429, 430,
 igr2=1480,1481,1480,1481,1480,1481,1480,1481,
 &end
#
#  144 LEU  MDX          31 PRO  HD-         4.00    (#   2153:20  Unique         2.06, 4.50 A)
 &rst
  ixpk= 2153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2= 498, 499,
 &end
#
#    0 AMB  20-2:2155     0 AMB  20-1:2155   3.00    (#   2155:20  Double Ambig)
 &rst
  ixpk= 2155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 697, 698,1770,1771,1770,1771,
 igr2=1767,1768,1767,1768,1767,1768,
 &end
#
#   43 LEU  MDY         112 PRO  HD+         5.00    (#   2156:20  Unique         2.53, 5.47 A)
 &rst
  ixpk= 2156, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2=1767,1768,
 &end
#
#    0 AMB  20-2:2157     0 AMB  20-1:2157   5.00    (#   2157:20  Double Ambig)
 &rst
  ixpk= 2157, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 702, 703, 704, 706, 707, 708,1756,1757,1758,1760,
      1761,1762,
 igr2=1767,1768,1767,1768,
 &end
#
#   43 LEU  HB+         112 PRO  HD+         5.00    (#   2160:20  Unique         2.04, 3.86 A)
 &rst
  ixpk= 2160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 697, 698,
 igr2=1767,1768,
 &end
#
#   38 SER  HB-         112 PRO  HD+         5.00    (#   2161:20  Unique         4.87, 6.86 A)
 &rst
  ixpk= 2161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 628, 629,
 igr2=1767,1768,
 &end
#
#    0 AMB  20-2:2163    66 ALA  HA          6.00    (#   2163:20  Single Ambig)
 &rst
  ixpk= 2163, nxpk= 20, iat=  -1,1075, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1=1063,1064,1065,1067,1068,1069,1506,1507,1508, 534,
       535, 536, 538, 539, 540,
 &end
#
#   66 ALA  MB           66 ALA  HA          3.00    (#   2164:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 2164, nxpk= 20, iat=  -1,1075, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1077,1078,1079,
 &end
#
#   34 ILE  QG2          66 ALA  HA          5.00    (#   2165:20  Unique         3.64, 5.16 A)
 &rst
  ixpk= 2165, nxpk= 20, iat=  -1,1075, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 550, 551, 552,
 &end
#
#   67 VAL  MGX          66 ALA  HA          5.00    (#   2166:20  Unique         3.22, 5.27 A)
 &rst
  ixpk= 2166, nxpk= 20, iat=  -1,1075, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:2170    62 LEU  HB-         5.00    (#   2170:20  Single Ambig)
 &rst
  ixpk= 2170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 504, 505, 945, 946,
 igr2=1012,1013,
 &end
#
#   58 TYR  HB-          62 LEU  HB-         5.00    (#   2171:20  Unique         3.47, 5.46 A)
 &rst
  ixpk= 2171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 945, 946,
 igr2=1012,1013,
 &end
#
#   62 LEU  HG           62 LEU  HB-         4.00    (#   2172:20  Unique         2.33, 2.72 A)
 &rst
  ixpk= 2172, nxpk= 20, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1012,1013,
 &end
#
#   62 LEU  MDY          62 LEU  HB-         3.00    (#   2174:20  Unique         2.01, 3.32 A)
 &rst
  ixpk= 2174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1017,1018,1019,1021,1022,1023,
 igr2=1012,1013,
 &end
#
#  144 LEU  MDY          62 LEU  HB-         5.00    (#   2175:20  Unique         1.99, 4.18 A)
 &rst
  ixpk= 2175, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2=1012,1013,
 &end
#
#   58 TYR  HB-          62 LEU  HB+         5.00    (#   2176:20  Unique         3.47, 5.46 A)
 &rst
  ixpk= 2176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 945, 946,
 igr2=1012,1013,
 &end
#
#   62 LEU  HG           62 LEU  HB+         4.00    (#   2178:20  Unique         2.33, 2.72 A)
 &rst
  ixpk= 2178, nxpk= 20, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1012,1013,
 &end
#
#   62 LEU  MDY          62 LEU  HB+         3.00    (#   2179:20  Unique         2.01, 3.32 A)
 &rst
  ixpk= 2179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1017,1018,1019,1021,1022,1023,
 igr2=1012,1013,
 &end
#
#    0 AMB  20-2:2180     0 AMB  20-1:2180   5.00    (#   2180:20  Double Ambig)
 &rst
  ixpk= 2180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 504, 505, 945, 946,
 igr2=1012,1013,1012,1013,
 &end
#
#  144 LEU  MDY          62 LEU  HB+         5.00    (#   2181:20  Unique         1.99, 4.18 A)
 &rst
  ixpk= 2181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2=1012,1013,
 &end
#
#   82 LYS  HB+          79 GLY  HA+         4.00    (#   2182:20  Unique         2.88, 4.41 A)
 &rst
  ixpk= 2182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1318,1319,
 igr2=1268,1269,
 &end
#
#   82 LYS  HB+          79 GLY  HA-         4.00    (#   2185:20  Unique         2.88, 4.41 A)
 &rst
  ixpk= 2185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1318,1319,
 igr2=1268,1269,
 &end
#
#    0 AMB  20-2:2190   132 GLY  HA-         5.00    (#   2190:20  Single Ambig)
 &rst
  ixpk= 2190, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 791, 792, 822,
 igr2=2074,2075,
 &end
#
#   49 PRO  HG-         132 GLY  HA+         5.00    (#   2191:20  Unique         5.57, 6.79 A)
 &rst
  ixpk= 2191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 791, 792,
 igr2=2074,2075,
 &end
#
#  129 GLY  HA+         130 GLY  HA+         6.00    (#   2196:20  Unique         4.36, 4.68 A)
 &rst
  ixpk= 2196, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2049,2050,
 igr2=2056,2057,
 &end
#
#  133 MET  HA          130 GLY  HA+         6.00    (#   2197:20  Unique         2.56, 4.69 A)
 &rst
  ixpk= 2197, nxpk= 20, iat=2081,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2056,2057,
 &end
#
#  129 GLY  HA+         130 GLY  HA-         6.00    (#   2201:20  Unique         4.36, 4.68 A)
 &rst
  ixpk= 2201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2049,2050,
 igr2=2056,2057,
 &end
#
#    0 AMB  20-2:2202   130 GLY  HA-         5.00    (#   2202:20  Single Ambig)
 &rst
  ixpk= 2202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=2083,2084,1770,1771,1770,1771, 697, 698,
 igr2=2056,2057,
 &end
#
#   27 ILE  HG1+        121 GLY  HA-         5.00    (#   2208:20  Unique         2.40, 4.47 A)
 &rst
  ixpk= 2208, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 444, 445,
 igr2=1918,1919,
 &end
#
#   27 ILE  QD1         121 GLY  HA-         4.00    (#   2209:20  Unique         1.99, 3.59 A)
 &rst
  ixpk= 2209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 447, 448, 449,
 igr2=1918,1919,
 &end
#
#    7 MET  ME          121 GLY  HA-         5.00    (#   2210:20  Unique         1.92, 3.44 A)
 &rst
  ixpk= 2210, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 128, 129, 130,
 igr2=1918,1919,
 &end
#
#  129 GLY  HA+         130 GLY  HA+         6.00    (#   2211:20  Unique         4.36, 4.68 A)
 &rst
  ixpk= 2211, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2049,2050,
 igr2=2056,2057,
 &end
#
#   43 LEU  HB+         130 GLY  HA+         6.00    (#   2212:20  Unique         5.87, 6.80 A)
 &rst
  ixpk= 2212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 697, 698,
 igr2=2056,2057,
 &end
#
#    0 AMB  20-2:2213     0 AMB  20-1:2213   5.00    (#   2213:20  Double Ambig)
 &rst
  ixpk= 2213, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50,
 igr1=2083,2084,1770,1771,1770,1771, 697, 698,
 igr2=2056,2057,2056,2057,2056,2057,2056,2057,
 &end
#
#   43 LEU  MDY         130 GLY  HA+         5.00    (#   2214:20  Unique         4.04, 6.76 A)
 &rst
  ixpk= 2214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2=2056,2057,
 &end
#
#   43 LEU  MDX         130 GLY  HA+         5.00    (#   2215:20  Unique         4.04, 6.76 A)
 &rst
  ixpk= 2215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2=2056,2057,
 &end
#
#   43 LEU  HB+         130 GLY  HA-         6.00    (#   2217:20  Unique         5.87, 6.80 A)
 &rst
  ixpk= 2217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 697, 698,
 igr2=2056,2057,
 &end
#
#   43 LEU  MDY         130 GLY  HA-         5.00    (#   2218:20  Unique         4.04, 6.76 A)
 &rst
  ixpk= 2218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2=2056,2057,
 &end
#
#   43 LEU  MDX         130 GLY  HA-         4.00    (#   2219:20  Unique         4.04, 6.76 A)
 &rst
  ixpk= 2219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2=2056,2057,
 &end
#
#    0 AMB  20-2:2222     0 AMB  20-1:2222   6.00    (#   2222:20  Double Ambig)
 &rst
  ixpk= 2222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 438, 366, 367,
 igr2= 455, 456,1918,1919,1918,1919,
 &end
#
#    7 MET  ME          121 GLY  HA+         4.00    (#   2225:20  Unique         1.92, 3.44 A)
 &rst
  ixpk= 2225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 128, 129, 130,
 igr2=1918,1919,
 &end
#
#   27 ILE  QG2           0 AMB  20-1:2226   4.00    (#   2226:20  Single Ambig)
 &rst
  ixpk= 2226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 440, 441, 442,
 igr2=1918,1919, 455, 456,
 &end
#
#   27 ILE  QD1         121 GLY  HA+         4.00    (#   2227:20  Unique         1.99, 3.59 A)
 &rst
  ixpk= 2227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 447, 448, 449,
 igr2=1918,1919,
 &end
#
#   33 LEU  HG           33 LEU  HB+         5.00    (#   2239:20  Unique         2.29, 2.70 A)
 &rst
  ixpk= 2239, 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    (#   2240:20  Unique         2.29, 2.70 A)
 &rst
  ixpk= 2240, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 529, 530,
 &end
#
#  101 ALA  MB           12 GLY  HA-         6.00    (#   2242:20  Unique         4.51, 6.68 A)
 &rst
  ixpk= 2242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1604,1605,1606,
 igr2= 198, 199,
 &end
#
#  101 ALA  MB           12 GLY  HA+         5.00    (#   2244:20  Unique         4.51, 6.68 A)
 &rst
  ixpk= 2244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1604,1605,1606,
 igr2= 198, 199,
 &end
#
#    0 AMB  20-2:2247     0 AMB  20-1:2247   5.00    (#   2247:20  Double Ambig)
 &rst
  ixpk= 2247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=1017,1018,1019,1021,1022,1023,2221,2222,2223,2225,
      2226,2227,
 igr2= 529, 530, 529, 530,
 &end
#
#   62 LEU  MDY          33 LEU  HB+         6.00    (#   2248:20  Unique         1.97, 3.84 A)
 &rst
  ixpk= 2248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1017,1018,1019,1021,1022,1023,
 igr2= 529, 530,
 &end
#
#    0 AMB  20-2:2250     0 AMB  20-1:2250   4.00    (#   2250:20  Double Ambig)
 &rst
  ixpk= 2250, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 534, 535, 536, 538, 539, 540,1047,1048,1049,1051,
      1052,1053,
 igr2= 529, 530, 529, 530,
 &end
#
#   33 LEU  MDX          33 LEU  HB+         4.00    (#   2251:20  Unique         2.11, 3.34 A)
 &rst
  ixpk= 2251, 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  20-2:2252     0 AMB  20-1:2252   5.00    (#   2252:20  Double Ambig)
 &rst
  ixpk= 2252, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=1017,1018,1019,1021,1022,1023,2221,2222,2223,2225,
      2226,2227,
 igr2= 529, 530, 529, 530,
 &end
#
#    0 AMB  20-2:2259    33 LEU  HB-         4.00    (#   2259:20  Single Ambig)
 &rst
  ixpk= 2259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 534, 535, 536, 538, 539, 540,1047,1048,1049,1051,
      1052,1053,
 igr2= 529, 530,
 &end
#
#   33 LEU  MDX          33 LEU  HB-         4.00    (#   2260:20  Unique         2.11, 3.34 A)
 &rst
  ixpk= 2260, 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  20-2:2261    33 LEU  HB-         4.00    (#   2261:20  Single Ambig)
 &rst
  ixpk= 2261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1017,1018,1019,1021,1022,1023,2221,2222,2223,2225,
      2226,2227,
 igr2= 529, 530,
 &end
#
#    0 AMB  20-2:2266     0 AMB  20-1:2266   6.00    (#   2266:20  Double Ambig)
 &rst
  ixpk= 2266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 697, 698,2041,2042,2043,
 igr2=2049,2050,2049,2050,
 &end
#
#    0 AMB  20-2:2268     0 AMB  20-1:2268   6.00    (#   2268:20  Double Ambig)
 &rst
  ixpk= 2268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 697, 698,2041,2042,2043,
 igr2=2049,2050,2049,2050,
 &end
#
#    0 AMB  20-2:2273   129 GLY  HA-         5.00    (#   2273:20  Single Ambig)
 &rst
  ixpk= 2273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 697, 698,2041,2042,2043,
 igr2=2049,2050,
 &end
#
#    0 AMB  20-2:2280     0 AMB  20-1:2280   6.00    (#   2280:20  Double Ambig)
 &rst
  ixpk= 2280, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1770,1771, 697, 698,
 igr2=2049,2050,2049,2050,
 &end
#
#    0 AMB  20-2:2283   129 GLY  HA-         5.00    (#   2283:20  Single Ambig)
 &rst
  ixpk= 2283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1770,1771,1770,1771, 697, 698,
 igr2=2049,2050,
 &end
#
#    0 AMB  20-2:2289    17 LEU  HB-         3.00    (#   2289:20  Single Ambig)
 &rst
  ixpk= 2289, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 283, 284, 285, 287, 288, 289,1506,1507,1508,
 igr2= 278, 279,
 &end
#
#   17 LEU  MDX          17 LEU  HB-         4.00    (#   2290:20  Unique         2.11, 3.44 A)
 &rst
  ixpk= 2290, 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  20-2:2291     0 AMB  20-1:2291   3.00    (#   2291:20  Double Ambig)
 &rst
  ixpk= 2291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 283, 284, 285, 287, 288, 289,1506,1507,1508,
 igr2= 278, 279, 278, 279,
 &end
#
#    0 AMB  20-2:2292     0 AMB  20-1:2292   4.00    (#   2292:20  Double Ambig)
 &rst
  ixpk= 2292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 283, 284, 285, 287, 288, 289,1503,1504,
 igr2= 278, 279, 278, 279,
 &end
#
#   71 ARG  HA           71 ARG  HD-         4.00    (#   2293:20  Unique         2.34, 4.31 A)
 &rst
  ixpk= 2293, nxpk= 20, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1157,1158,
 &end
#
#    0 AMB  20-2:2294    71 ARG  HD-         4.00    (#   2294:20  Single Ambig)
 &rst
  ixpk= 2294, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 628, 629,1134,1135,
 igr2=1157,1158,
 &end
#
#  111 VAL  MGX          71 ARG  HD-         4.00    (#   2295:20  Unique         2.17, 5.30 A)
 &rst
  ixpk= 2295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1157,1158,
 &end
#
#  139 ARG  HD+         142 ARG  HD+         5.00    (#   2312:20  Unique         3.84, 6.34 A)
 &rst
  ixpk= 2312, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2201,2202,
 igr2=2255,2256,
 &end
#
#    0 AMB  20-2:2313     0 AMB  20-1:2313   4.00    (#   2313:20  Double Ambig)
 &rst
  ixpk= 2313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=2316,2306,
 igr2=2255,2256,2255,2256,
 &end
#
#  146 GLU  HG-         142 ARG  HD+         5.00    (#   2314:20  Unique         2.00, 3.58 A)
 &rst
  ixpk= 2314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2321,2322,
 igr2=2255,2256,
 &end
#
#   71 ARG  HB+          71 ARG  HD-         3.00    (#   2315:20  Unique         2.13, 2.94 A)
 &rst
  ixpk= 2315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1151,1152,
 igr2=1157,1158,
 &end
#
#  113 ALA  MB          126 PHE  HB-         5.00    (#   2324:20  Unique         5.70, 7.29 A)
 &rst
  ixpk= 2324, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1784,1785,1786,
 igr2=2004,2005,
 &end
#
#    3 LEU  MDX         126 PHE  HB-         6.00    (#   2325:20  Unique         2.74, 6.48 A)
 &rst
  ixpk= 2325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  52,  53,  54,  56,  57,  58,
 igr2=2004,2005,
 &end
#
#  142 ARG  HA          142 ARG  HD+         3.00    (#   2328:20  Unique         1.96, 2.80 A)
 &rst
  ixpk= 2328, nxpk= 20, iat=2247,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2255,2256,
 &end
#
#    0 AMB  20-2:2329     0 AMB  20-1:2329   4.00    (#   2329:20  Double Ambig)
 &rst
  ixpk= 2329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1=2271, 385, 150, 361,
 igr2=2255,2256, 369, 370, 369, 370, 369, 370,
 &end
#
#  142 ARG  HB+         142 ARG  HD+         3.00    (#   2331:20  Unique         2.24, 3.36 A)
 &rst
  ixpk= 2331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2249,2250,
 igr2=2255,2256,
 &end
#
#    0 AMB  20-2:2332     0 AMB  20-1:2332   3.00    (#   2332:20  Double Ambig)
 &rst
  ixpk= 2332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=2252,2253,2252,2253, 366, 367,
 igr2=2255,2256,2255,2256, 369, 370,
 &end
#
#    0 AMB  20-2:2337   126 PHE  HB-         4.00    (#   2337:20  Single Ambig)
 &rst
  ixpk= 2337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=  52,  53,  54,  56,  57,  58,1949,1950,1951,1953,
      1954,1955,
 igr2=2004,2005,
 &end
#
#  123 LEU  MDY         126 PHE  HB-         5.00    (#   2338:20  Unique         2.75, 4.59 A)
 &rst
  ixpk= 2338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=2004,2005,
 &end
#
#    0 AMB  20-2:2341     0 AMB  20-1:2341   4.00    (#   2341:20  Double Ambig)
 &rst
  ixpk= 2341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=  52,  53,  54,  56,  57,  58,1949,1950,1951,1953,
      1954,1955,
 igr2=2004,2005,2004,2005,
 &end
#
#  123 LEU  MDY         126 PHE  HB+         5.00    (#   2342:20  Unique         2.75, 4.59 A)
 &rst
  ixpk= 2342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=2004,2005,
 &end
#
#   72 SER  HB-          76 LEU  HB+         5.00    (#   2351:20  Unique         5.03, 6.54 A)
 &rst
  ixpk= 2351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1175,1176,
 igr2=1225,1226,
 &end
#
#   76 LEU  MDY          76 LEU  HB+         3.00    (#   2353:20  Unique         2.15, 3.33 A)
 &rst
  ixpk= 2353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1230,1231,1232,1234,1235,1236,
 igr2=1225,1226,
 &end
#
#   76 LEU  MDX          76 LEU  HB+         4.00    (#   2354:20  Unique         2.15, 3.33 A)
 &rst
  ixpk= 2354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1230,1231,1232,1234,1235,1236,
 igr2=1225,1226,
 &end
#
#   72 SER  HB-          76 LEU  HB-         5.00    (#   2355:20  Unique         5.03, 6.54 A)
 &rst
  ixpk= 2355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1175,1176,
 igr2=1225,1226,
 &end
#
#   76 LEU  MDY          76 LEU  HB-         3.00    (#   2357:20  Unique         2.15, 3.33 A)
 &rst
  ixpk= 2357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1230,1231,1232,1234,1235,1236,
 igr2=1225,1226,
 &end
#
#    4 ARG  HA            0 AMB  20-1:2358   4.00    (#   2358:20  Single Ambig)
 &rst
  ixpk= 2358, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=  72,  73,  72,  73,
 &end
#
#    4 ARG  HB-           0 AMB  20-1:2359   4.00    (#   2359:20  Single Ambig)
 &rst
  ixpk= 2359, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  66,  67,
 igr2=  72,  73,  72,  73,
 &end
#
#    0 AMB  20-2:2360     0 AMB  20-1:2360   3.00    (#   2360:20  Double Ambig)
 &rst
  ixpk= 2360, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  66,  67,  66,  67,
 igr2=  72,  73,  72,  73,
 &end
#
#    4 ARG  HG-           0 AMB  20-1:2361   3.00    (#   2361:20  Single Ambig)
 &rst
  ixpk= 2361, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  69,  70,
 igr2=  72,  73,  72,  73,
 &end
#
#    0 AMB  20-2:2362     0 AMB  20-1:2362   3.00    (#   2362:20  Double Ambig)
 &rst
  ixpk= 2362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  69,  70,  69,  70,
 igr2=  72,  73,  72,  73,
 &end
#
#    4 ARG  HA            4 ARG  HD-         5.00    (#   2363:20  Unique         3.19, 4.28 A)
 &rst
  ixpk= 2363, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  72,  73,
 &end
#
#    4 ARG  HB-           4 ARG  HD-         4.00    (#   2364:20  Unique         2.08, 3.02 A)
 &rst
  ixpk= 2364, 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    (#   2365:20  Unique         2.08, 3.02 A)
 &rst
  ixpk= 2365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  66,  67,
 igr2=  72,  73,
 &end
#
#   80 LYS  HB-          77 ASP  HB-         4.00    (#   2376:20  Unique         2.07, 4.33 A)
 &rst
  ixpk= 2376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1277,1278,
 igr2=1244,1245,
 &end
#
#  111 VAL  MGX          36 PHE  HB+         5.00    (#   2382:20  Unique         1.96, 4.33 A)
 &rst
  ixpk= 2382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2= 584, 585,
 &end
#
#   57 LYS  HG-          57 LYS  HE+         4.00    (#   2385:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 2385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 926, 927,
 igr2= 932, 933,
 &end
#
#   39 ILE  QG2          75 ASP  HB-         6.00    (#   2386:20  Unique         2.67, 5.33 A)
 &rst
  ixpk= 2386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 641, 642, 643,
 igr2=1213,1214,
 &end
#
#   80 LYS  HE-          77 ASP  HB+         3.00    (#   2387:20  Unique         2.00, 3.78 A)
 &rst
  ixpk= 2387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1286,1287,
 igr2=1244,1245,
 &end
#
#  111 VAL  MGX          36 PHE  HB-         4.00    (#   2388:20  Unique         1.96, 4.33 A)
 &rst
  ixpk= 2388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2= 584, 585,
 &end
#
#  102 LEU  MDY         102 LEU  HB-         5.00    (#   2395:20  Unique         1.95, 3.31 A)
 &rst
  ixpk= 2395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2=1614,1615,
 &end
#
#  102 LEU  MDX         102 LEU  HB+         6.00    (#   2396:20  Unique         1.95, 3.31 A)
 &rst
  ixpk= 2396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2=1614,1615,
 &end
#
#   70 PRO  HA           75 ASP  HB+         5.00    (#   2403:20  Unique         1.95, 2.75 A)
 &rst
  ixpk= 2403, nxpk= 20, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1213,1214,
 &end
#
#   77 ASP  HB+          80 LYS  HE-         3.00    (#   2405:20  Unique         2.00, 3.78 A)
 &rst
  ixpk= 2405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1244,1245,
 igr2=1286,1287,
 &end
#
#  118 ASP  HA          117 PHE  HB+         5.00    (#   2406:20  Unique         4.98, 5.23 A)
 &rst
  ixpk= 2406, nxpk= 20, iat=1870,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1852,1853,
 &end
#
#   70 PRO  HA           75 ASP  HB-         4.00    (#   2407:20  Unique         1.95, 2.75 A)
 &rst
  ixpk= 2407, nxpk= 20, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1213,1214,
 &end
#
#   70 PRO  HB-          75 ASP  HB-         5.00    (#   2409:20  Unique         3.41, 4.87 A)
 &rst
  ixpk= 2409, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1140,1141,
 igr2=1213,1214,
 &end
#
#    0 AMB  20-2:2410     0 AMB  20-1:2410   4.00    (#   2410:20  Double Ambig)
 &rst
  ixpk= 2410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1930,1931,1927,1928,
 igr2=1852,1853,1852,1853,
 &end
#
#    0 AMB  20-2:2411     0 AMB  20-1:2411   4.00    (#   2411:20  Double Ambig)
 &rst
  ixpk= 2411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1140,1141, 554, 555, 504, 505,1123,1124,
 igr2=1213,1214,1852,1853,1852,1853,
 &end
#
#   39 ILE  HG1+         75 ASP  HB-         4.00    (#   2412:20  Unique         1.97, 3.81 A)
 &rst
  ixpk= 2412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 645, 646,
 igr2=1213,1214,
 &end
#
#    0 AMB  20-2:2413    75 ASP  HB-         5.00    (#   2413:20  Single Ambig)
 &rst
  ixpk= 2413, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 648, 649, 650,1538,1539,1540,1542,1543,1544,
 igr2=1213,1214,
 &end
#
#   80 LYS  HB-          77 ASP  HB+         5.00    (#   2415:20  Unique         2.07, 4.33 A)
 &rst
  ixpk= 2415, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1277,1278,
 igr2=1244,1245,
 &end
#
#   80 LYS  HD-          77 ASP  HB+         3.00    (#   2416:20  Unique         1.96, 3.06 A)
 &rst
  ixpk= 2416, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1283,1284,
 igr2=1244,1245,
 &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= 6.59, r4= 7.09,
 igr1=1283,1284,1784,1785,1786,
 igr2=1244,1245, 584, 585,
 &end
#
#   81 ILE  HB           77 ASP  HB-         6.00    (#   2419:20  Unique         5.20, 6.46 A)
 &rst
  ixpk= 2419, nxpk= 20, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1244,1245,
 &end
#
#  144 LEU  HG          144 LEU  HB+         3.00    (#   2425:20  Unique         2.52, 2.80 A)
 &rst
  ixpk= 2425, nxpk= 20, iat=2292,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2289,2290,
 &end
#
#  102 LEU  HG          102 LEU  HB-         5.00    (#   2439:20  Unique         2.23, 2.75 A)
 &rst
  ixpk= 2439, nxpk= 20, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1614,1615,
 &end
#
#  102 LEU  MDX         102 LEU  HB-         5.00    (#   2440:20  Unique         1.95, 3.31 A)
 &rst
  ixpk= 2440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2=1614,1615,
 &end
#
#  102 LEU  MDY         102 LEU  HB+         5.00    (#   2441:20  Unique         1.95, 3.31 A)
 &rst
  ixpk= 2441, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2=1614,1615,
 &end
#
#    0 AMB  20-2:2448     0 AMB  20-1:2448   4.00    (#   2448:20  Double Ambig)
 &rst
  ixpk= 2448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1253,1254, 716, 717,
 igr2= 231, 232, 736, 737,
 &end
#
#   96 VAL  MGX          14 LYS  HE+         3.00    (#   2449:20  Unique         2.03, 5.01 A)
 &rst
  ixpk= 2449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1538,1539,1540,1542,1543,1544,
 igr2= 231, 232,
 &end
#
#    0 AMB  20-2:2454     0 AMB  20-1:2454   4.00    (#   2454:20  Double Ambig)
 &rst
  ixpk= 2454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1253,1254, 716, 717,
 igr2= 231, 232, 736, 737,
 &end
#
#    0 AMB  20-2:2456     0 AMB  20-1:2456   6.00    (#   2456:20  Double Ambig)
 &rst
  ixpk= 2456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 669, 670, 777, 778,
 igr2= 736, 737, 736, 737,
 &end
#
#   53 GLU  HG-          57 LYS  HE+         4.00    (#   2457:20  Unique         1.99, 3.60 A)
 &rst
  ixpk= 2457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 855, 856,
 igr2= 932, 933,
 &end
#
#    0 AMB  20-2:2458     0 AMB  20-1:2458   4.00    (#   2458:20  Double Ambig)
 &rst
  ixpk= 2458, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 852, 853, 639,
 igr2= 932, 933, 736, 737,
 &end
#
#    0 AMB  20-2:2459     0 AMB  20-1:2459   3.00    (#   2459:20  Double Ambig)
 &rst
  ixpk= 2459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1256,1257,1277,1278,
 igr2= 231, 232,1286,1287,
 &end
#
#    0 AMB  20-2:2460     0 AMB  20-1:2460   3.00    (#   2460:20  Double Ambig)
 &rst
  ixpk= 2460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 923, 924,1283,1284, 733, 734,
 igr2= 932, 933,1286,1287, 736, 737,
 &end
#
#    0 AMB  20-2:2461     0 AMB  20-1:2461   3.00    (#   2461:20  Double Ambig)
 &rst
  ixpk= 2461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 923, 924, 929, 930,
 igr2= 932, 933, 932, 933,
 &end
#
#   57 LYS  HG-          57 LYS  HE+         4.00    (#   2462:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 2462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 926, 927,
 igr2= 932, 933,
 &end
#
#    0 AMB  20-2:2463     0 AMB  20-1:2463   3.00    (#   2463:20  Double Ambig)
 &rst
  ixpk= 2463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1538,1539,1540,1542,1543,1544, 648, 649, 650,
 igr2= 231, 232,1286,1287,
 &end
#
#    0 AMB  20-2:2464     0 AMB  20-1:2464   3.00    (#   2464:20  Double Ambig)
 &rst
  ixpk= 2464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1904, 462,
 igr2=1893,1894,1893,1894,
 &end
#
#    0 AMB  20-2:2465     0 AMB  20-1:2465   5.00    (#   2465:20  Double Ambig)
 &rst
  ixpk= 2465, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 777, 778, 887, 888,
 igr2= 736, 737, 932, 933,
 &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=10.19, r4=10.69,
 igr1= 467, 468, 998, 999,
 igr2= 488, 489,1893,1894, 488, 489,
 &end
#
#    0 AMB  20-2:2467     0 AMB  20-1:2467   4.00    (#   2467:20  Double Ambig)
 &rst
  ixpk= 2467, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 467, 468,2161,2162,
 igr2= 488, 489, 932, 933,
 &end
#
#  119 LYS  HG-         119 LYS  HE+         3.00    (#   2468:20  Unique         2.01, 3.10 A)
 &rst
  ixpk= 2468, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1887,1888,
 igr2=1893,1894,
 &end
#
#    0 AMB  20-2:2470     0 AMB  20-1:2470   3.00    (#   2470:20  Double Ambig)
 &rst
  ixpk= 2470, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2179,2180,1884,1885,
 igr2=2182,2183,1893,1894,
 &end
#
#    0 AMB  20-2:2472     0 AMB  20-1:2472   4.00    (#   2472:20  Double Ambig)
 &rst
  ixpk= 2472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 557, 558, 559,1838,1839,1840,1842,1843,1844,1838,
      1839,1840,1842,1843,1844,
 igr2=1852,1853,1852,1853,1852,1853,
 &end
#
#   54 PHE  HA           57 LYS  HE-         6.00    (#   2473:20  Unique         2.06, 3.27 A)
 &rst
  ixpk= 2473, nxpk= 20, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 932, 933,
 &end
#
#   53 GLU  HG+          57 LYS  HE-         5.00    (#   2474:20  Unique         1.99, 3.60 A)
 &rst
  ixpk= 2474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 855, 856,
 igr2= 932, 933,
 &end
#
#  112 PRO  HD+          43 LEU  HB-         5.00    (#   2481:20  Unique         2.04, 3.86 A)
 &rst
  ixpk= 2481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1767,1768,
 igr2= 697, 698,
 &end
#
#    0 AMB  20-2:2482     0 AMB  20-1:2482   3.00    (#   2482:20  Double Ambig)
 &rst
  ixpk= 2482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 702, 703, 704, 706, 707, 708,1499,1500,1501,
 igr2= 697, 698,1497,
 &end
#
#   65 VAL  MGX           0 AMB  20-1:2483   4.00    (#   2483:20  Single Ambig)
 &rst
  ixpk= 2483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1063,1064,1065,1067,1068,1069,
 igr2= 419, 420, 419, 420,
 &end
#
#  141 ASN  HA          144 LEU  HB-         4.00    (#   2487:20  Unique         2.59, 3.72 A)
 &rst
  ixpk= 2487, nxpk= 20, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2289,2290,
 &end
#
#  144 LEU  MDX         144 LEU  HB-         3.00    (#   2488:20  Unique         2.02, 3.28 A)
 &rst
  ixpk= 2488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2=2289,2290,
 &end
#
#  112 PRO  HD+          43 LEU  HB+         5.00    (#   2489:20  Unique         2.04, 3.86 A)
 &rst
  ixpk= 2489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1767,1768,
 igr2= 697, 698,
 &end
#
#  102 LEU  HA          102 LEU  HB-         5.00    (#   2491:20  Unique         2.32, 2.63 A)
 &rst
  ixpk= 2491, nxpk= 20, iat=1612,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1614,1615,
 &end
#
#    0 AMB  20-2:2499   117 PHE  HB-         6.00    (#   2499:20  Single Ambig)
 &rst
  ixpk= 2499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 557, 558, 559, 440, 441, 442,1949,1950,1951,1953,
      1954,1955,1838,1839,1840,1842,1843,1844,
 igr2=1852,1853,
 &end
#
#  138 LYS  HA          138 LYS  HE+         5.00    (#   2501:20  Unique         2.00, 4.07 A)
 &rst
  ixpk= 2501, nxpk= 20, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2182,2183,
 &end
#
#    0 AMB  20-2:2502     0 AMB  20-1:2502   3.00    (#   2502:20  Double Ambig)
 &rst
  ixpk= 2502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 464, 465,2129,2130,2131,2158,2159, 639,2158,2159,
      
 igr2= 488, 489,2201,2202,2182,2183, 736, 737,2109,2110,
      
 &end
#
#    0 AMB  20-2:2503     0 AMB  20-1:2503   3.00    (#   2503:20  Double Ambig)
 &rst
  ixpk= 2503, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2176,2177,2198,2199,
 igr2=2182,2183,2201,2202,
 &end
#
#   39 ILE  HA           45 LYS  HE-         4.00    (#   2504:20  Unique         1.91, 2.74 A)
 &rst
  ixpk= 2504, nxpk= 20, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 736, 737,
 &end
#
#    0 AMB  20-2:2506     0 AMB  20-1:2506   3.00    (#   2506:20  Double Ambig)
 &rst
  ixpk= 2506, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=2173,2174, 464, 465, 479, 480,
 igr2=2182,2183, 488, 489, 488, 489,
 &end
#
#  146 GLU  HG+         139 ARG  HD-         6.00    (#   2507:20  Unique         6.07, 7.83 A)
 &rst
  ixpk= 2507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2321,2322,
 igr2=2201,2202,
 &end
#
#    0 AMB  20-2:2509     0 AMB  20-1:2509   6.00    (#   2509:20  Double Ambig)
 &rst
  ixpk= 2509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 436,1918,1919,
 igr2=1893,1894,1872,1873,
 &end
#
#  116 VAL  MGY         139 ARG  HD+         4.00    (#   2510:20  Unique         2.80, 6.02 A)
 &rst
  ixpk= 2510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1838,1839,1840,1842,1843,1844,
 igr2=2201,2202,
 &end
#
#    0 AMB  20-2:2511     0 AMB  20-1:2511   3.00    (#   2511:20  Double Ambig)
 &rst
  ixpk= 2511, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 923, 924,2106,2107, 929, 930,2198,2199,
 igr2= 932, 933,2109,2110,2201,2202,
 &end
#
#   57 LYS  HG-          57 LYS  HE-         3.00    (#   2512:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 2512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 926, 927,
 igr2= 932, 933,
 &end
#
#   57 LYS  HG+          57 LYS  HE-         3.00    (#   2513:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 2513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 926, 927,
 igr2= 932, 933,
 &end
#
#   66 ALA  MB           94 ILE  HB          5.00    (#   2517:20  Unique         3.92, 5.48 A)
 &rst
  ixpk= 2517, nxpk= 20, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1077,1078,1079,
 &end
#
#    0 AMB  20-2:2519     0 AMB  20-1:2519   3.00    (#   2519:20  Double Ambig)
 &rst
  ixpk= 2519, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=2287, 695,
 igr2=2289,2290, 697, 698,
 &end
#
#  144 LEU  MDY         144 LEU  HB+         4.00    (#   2520:20  Unique         2.02, 3.28 A)
 &rst
  ixpk= 2520, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2=2289,2290,
 &end
#
#  141 ASN  HA          144 LEU  HB+         4.00    (#   2521:20  Unique         2.59, 3.72 A)
 &rst
  ixpk= 2521, nxpk= 20, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2289,2290,
 &end
#
#  144 LEU  HA          144 LEU  HB-         4.00    (#   2526:20  Unique         2.37, 2.73 A)
 &rst
  ixpk= 2526, nxpk= 20, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2289,2290,
 &end
#
#  144 LEU  MDY         144 LEU  HB-         4.00    (#   2528:20  Unique         2.02, 3.28 A)
 &rst
  ixpk= 2528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2=2289,2290,
 &end
#
#  141 ASN  HB+         144 LEU  HB-         5.00    (#   2529:20  Unique         4.27, 5.66 A)
 &rst
  ixpk= 2529, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2235,2236,
 igr2=2289,2290,
 &end
#
#    0 AMB  20-2:2531     0 AMB  20-1:2531   4.00    (#   2531:20  Double Ambig)
 &rst
  ixpk= 2531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 695,2074,2075,
 igr2= 697, 698, 697, 698,
 &end
#
#   43 LEU  MDX          43 LEU  HB+         4.00    (#   2533:20  Unique         1.98, 3.32 A)
 &rst
  ixpk= 2533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2= 697, 698,
 &end
#
#  128 ALA  MB          110 TYR  HB-         4.00    (#   2537:20  Unique         2.60, 4.13 A)
 &rst
  ixpk= 2537, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2041,2042,2043,
 igr2=1733,1734,
 &end
#
#   74 ASP  HB-          45 LYS  HE-         6.00    (#   2540:20  Unique         6.15, 7.55 A)
 &rst
  ixpk= 2540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1201,1202,
 igr2= 736, 737,
 &end
#
#    0 AMB  20-2:2546   144 LEU  HB-         6.00    (#   2546:20  Single Ambig)
 &rst
  ixpk= 2546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 igr2=2289,2290,
 &end
#
#   43 LEU  MDY          43 LEU  HB+         4.00    (#   2547:20  Unique         1.98, 3.32 A)
 &rst
  ixpk= 2547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2= 697, 698,
 &end
#
#  124 ARG  HG+         118 ASP  HB-         6.00    (#   2548:20  Unique         2.68, 4.29 A)
 &rst
  ixpk= 2548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1966,1967,
 igr2=1872,1873,
 &end
#
#    0 AMB  20-2:2550   118 ASP  HB-         5.00    (#   2550:20  Single Ambig)
 &rst
  ixpk= 2550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1927,1928,1966,1967,
 igr2=1872,1873,
 &end
#
#  139 ARG  HA          139 ARG  HD-         3.00    (#   2556:20  Unique         1.95, 2.73 A)
 &rst
  ixpk= 2556, nxpk= 20, iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2201,2202,
 &end
#
#  137 GLU  HA          134 LYS  HE+         6.00    (#   2557:20  Unique         5.73, 6.74 A)
 &rst
  ixpk= 2557, nxpk= 20, iat=2156,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2109,2110,
 &end
#
#  134 LYS  HD+         134 LYS  HE+         5.00    (#   2558:20  Unique         2.27, 2.73 A)
 &rst
  ixpk= 2558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2106,2107,
 igr2=2109,2110,
 &end
#
#  139 ARG  HA          139 ARG  HD+         4.00    (#   2559:20  Unique         1.95, 2.73 A)
 &rst
  ixpk= 2559, nxpk= 20, iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2201,2202,
 &end
#
#    0 AMB  20-2:2561     0 AMB  20-1:2561   4.00    (#   2561:20  Double Ambig)
 &rst
  ixpk= 2561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr1=2249,2250,2161,2162,2173,2174,2024,2025,
 igr2=2201,2202,2109,2110,2201,2202,2201,2202,
 &end
#
#    0 AMB  20-2:2562     0 AMB  20-1:2562   6.00    (#   2562:20  Double Ambig)
 &rst
  ixpk= 2562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2142,2139,2140,
 igr2=2201,2202,2201,2202,
 &end
#
#   27 ILE  QG2           0 AMB  20-1:2564   5.00    (#   2564:20  Single Ambig)
 &rst
  ixpk= 2564, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 440, 441, 442,
 igr2=1893,1894,1872,1873,
 &end
#
#  124 ARG  HD-           3 LEU  HB+         6.00    (#   2566:20  Unique         4.64, 7.30 A)
 &rst
  ixpk= 2566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1969,1970,
 igr2=  47,  48,
 &end
#
#    3 LEU  MDY           3 LEU  HB+         3.00    (#   2567:20  Unique         2.18, 3.32 A)
 &rst
  ixpk= 2567, 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
#
#  118 ASP  HA          118 ASP  HB-         4.00    (#   2569:20  Unique         2.30, 2.80 A)
 &rst
  ixpk= 2569, nxpk= 20, iat=1870,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1872,1873,
 &end
#
#    0 AMB  20-2:2570   118 ASP  HB-         5.00    (#   2570:20  Single Ambig)
 &rst
  ixpk= 2570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 igr2=1872,1873,
 &end
#
#    0 AMB  20-2:2573     0 AMB  20-1:2573   4.00    (#   2573:20  Double Ambig)
 &rst
  ixpk= 2573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1=2144,2145,2146,2148,2149,2150,2106,2107,
 igr2=1794,1795,2109,2110,
 &end
#
#  111 VAL  MGY         110 TYR  HB+         6.00    (#   2574:20  Unique         3.85, 6.59 A)
 &rst
  ixpk= 2574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1733,1734,
 &end
#
#  123 LEU  MDY         115 TYR  HB+         5.00    (#   2578:20  Unique         1.99, 5.02 A)
 &rst
  ixpk= 2578, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=1815,1816,
 &end
#
#  136 LEU  HG          114 TYR  HB-         4.00    (#   2580:20  Unique         1.93, 3.74 A)
 &rst
  ixpk= 2580, nxpk= 20, iat=2142,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1794,1795,
 &end
#
#    0 AMB  20-2:2581     0 AMB  20-1:2581   6.00    (#   2581:20  Double Ambig)
 &rst
  ixpk= 2581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1=2142, 534, 535, 536, 538, 539, 540,
 igr2=1794,1795,1794,1795,
 &end
#
#    3 LEU  HA            3 LEU  HB+         4.00    (#   2584:20  Unique         2.25, 2.67 A)
 &rst
  ixpk= 2584, 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    (#   2586:20  Unique         2.18, 3.32 A)
 &rst
  ixpk= 2586, 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
#
#    3 LEU  HA            3 LEU  HB-         4.00    (#   2587:20  Unique         2.25, 2.67 A)
 &rst
  ixpk= 2587, 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    (#   2589:20  Unique         2.18, 3.32 A)
 &rst
  ixpk= 2589, 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
#
#    3 LEU  MDY           3 LEU  HB-         3.00    (#   2590:20  Unique         2.18, 3.32 A)
 &rst
  ixpk= 2590, 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
#
#  123 LEU  MDY         115 TYR  HB-         5.00    (#   2591:20  Unique         1.99, 5.02 A)
 &rst
  ixpk= 2591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=1815,1816,
 &end
#
#    0 AMB  20-2:2600     0 AMB  20-1:2600   5.00    (#   2600:20  Double Ambig)
 &rst
  ixpk= 2600, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 igr2=1794,1795,1794,1795,
 &end
#
#    4 ARG  HG-           3 LEU  HB-         4.00    (#   2601:20  Unique         2.31, 3.84 A)
 &rst
  ixpk= 2601, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  69,  70,
 igr2=  47,  48,
 &end
#
#  126 PHE  HB+         115 TYR  HB+         6.00    (#   2607:20  Unique         3.37, 4.90 A)
 &rst
  ixpk= 2607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2004,2005,
 igr2=1815,1816,
 &end
#
#   34 ILE  HB          115 TYR  HB+         6.00    (#   2608:20  Unique         2.17, 3.20 A)
 &rst
  ixpk= 2608, nxpk= 20, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1815,1816,
 &end
#
#  123 LEU  MDY         115 TYR  HB+         5.00    (#   2609:20  Unique         1.99, 5.02 A)
 &rst
  ixpk= 2609, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=1815,1816,
 &end
#
#  113 ALA  MB          114 TYR  HB+         6.00    (#   2615:20  Unique         5.07, 6.39 A)
 &rst
  ixpk= 2615, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1784,1785,1786,
 igr2=1794,1795,
 &end
#
#  123 LEU  HG          123 LEU  HB+         4.00    (#   2617:20  Unique         2.23, 2.67 A)
 &rst
  ixpk= 2617, nxpk= 20, iat=1947,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1944,1945,
 &end
#
#   47 ALA  MB          114 TYR  HB+         6.00    (#   2622:20  Unique         5.99, 7.73 A)
 &rst
  ixpk= 2622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 764, 765, 766,
 igr2=1794,1795,
 &end
#
#    5 GLN  HB+         123 LEU  HB-         5.00    (#   2625:20  Unique         2.17, 4.05 A)
 &rst
  ixpk= 2625, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  90,  91,
 igr2=1944,1945,
 &end
#
#  123 LEU  MDY         123 LEU  HB-         5.00    (#   2627:20  Unique         2.01, 3.36 A)
 &rst
  ixpk= 2627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=1944,1945,
 &end
#
#  123 LEU  HG          123 LEU  HB-         5.00    (#   2628:20  Unique         2.23, 2.67 A)
 &rst
  ixpk= 2628, nxpk= 20, iat=1947,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1944,1945,
 &end
#
#    5 GLN  HB+         123 LEU  HB+         6.00    (#   2629:20  Unique         2.17, 4.05 A)
 &rst
  ixpk= 2629, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  90,  91,
 igr2=1944,1945,
 &end
#
#   74 ASP  HA           74 ASP  HB+         3.00    (#   2633:20  Unique         2.37, 2.82 A)
 &rst
  ixpk= 2633, nxpk= 20, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1201,1202,
 &end
#
#   75 ASP  HB-          74 ASP  HB-         5.00    (#   2639:20  Unique         3.75, 5.44 A)
 &rst
  ixpk= 2639, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1213,1214,
 igr2=1201,1202,
 &end
#
#   74 ASP  HA           74 ASP  HB-         4.00    (#   2640:20  Unique         2.37, 2.82 A)
 &rst
  ixpk= 2640, nxpk= 20, iat=1199,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1201,1202,
 &end
#
#    3 LEU  HA          123 LEU  HB-         5.00    (#   2643:20  Unique         1.94, 3.26 A)
 &rst
  ixpk= 2643, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1944,1945,
 &end
#
#  123 LEU  MDX         123 LEU  HB-         4.00    (#   2644:20  Unique         2.01, 3.36 A)
 &rst
  ixpk= 2644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=1944,1945,
 &end
#
#  123 LEU  MDY         123 LEU  HB+         5.00    (#   2645:20  Unique         2.01, 3.36 A)
 &rst
  ixpk= 2645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=1944,1945,
 &end
#
#   60 ASP  HA            0 AMB  20-1:2650   3.00    (#   2650:20  Single Ambig)
 &rst
  ixpk= 2650, nxpk= 20, iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 983, 984, 983, 984,
 &end
#
#   59 GLN  HA            0 AMB  20-1:2651   5.00    (#   2651:20  Single Ambig)
 &rst
  ixpk= 2651, nxpk= 20, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 983, 984, 983, 984,
 &end
#
#   73 GLU  HB-          74 ASP  HB+         6.00    (#   2652:20  Unique         4.47, 6.40 A)
 &rst
  ixpk= 2652, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1186,1187,
 igr2=1201,1202,
 &end
#
#   73 GLU  HB-          74 ASP  HB-         6.00    (#   2653:20  Unique         4.47, 6.40 A)
 &rst
  ixpk= 2653, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1186,1187,
 igr2=1201,1202,
 &end
#
#  103 THR  MG2         108 ASN  HB+         5.00    (#   2656:20  Unique         2.02, 3.89 A)
 &rst
  ixpk= 2656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1635,1636,1637,
 igr2=1704,1705,
 &end
#
#  103 THR  MG2         108 ASN  HB-         4.00    (#   2659:20  Unique         2.02, 3.89 A)
 &rst
  ixpk= 2659, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1635,1636,1637,
 igr2=1704,1705,
 &end
#
#  108 ASN  HA          108 ASN  HB-         5.00    (#   2660:20  Unique         2.28, 2.75 A)
 &rst
  ixpk= 2660, nxpk= 20, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1704,1705,
 &end
#
#  106 PHE  HB-         108 ASN  HB-         6.00    (#   2661:20  Unique         3.43, 5.68 A)
 &rst
  ixpk= 2661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1669,1670,
 igr2=1704,1705,
 &end
#
#  106 PHE  HB-         108 ASN  HB-         6.00    (#   2662:20  Unique         3.43, 5.68 A)
 &rst
  ixpk= 2662, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1669,1670,
 igr2=1704,1705,
 &end
#
#  136 LEU  MDY         136 LEU  HB-         4.00    (#   2667:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 2667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=2139,2140,
 &end
#
#  135 MET  ME          136 LEU  HB-         5.00    (#   2668:20  Unique         2.21, 4.36 A)
 &rst
  ixpk= 2668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2129,2130,2131,
 igr2=2139,2140,
 &end
#
#  136 LEU  MDX         136 LEU  HB-         5.00    (#   2669:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 2669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=2139,2140,
 &end
#
#  133 MET  HA          136 LEU  HB+         5.00    (#   2671:20  Unique         2.69, 3.45 A)
 &rst
  ixpk= 2671, nxpk= 20, iat=2081,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2139,2140,
 &end
#
#  136 LEU  MDX         136 LEU  HB+         5.00    (#   2673:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 2673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=2139,2140,
 &end
#
#  136 LEU  MDY         136 LEU  HB+         4.00    (#   2674:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 2674, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=2139,2140,
 &end
#
#  136 LEU  HA          136 LEU  HB-         5.00    (#   2677:20  Unique         2.20, 2.67 A)
 &rst
  ixpk= 2677, nxpk= 20, iat=2137,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2139,2140,
 &end
#
#  136 LEU  HA          136 LEU  HB+         5.00    (#   2678:20  Unique         2.20, 2.67 A)
 &rst
  ixpk= 2678, nxpk= 20, iat=2137,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2139,2140,
 &end
#
#   32 THR  MG2          63 ASN  HB-         5.00    (#   2679:20  Unique         3.03, 4.85 A)
 &rst
  ixpk= 2679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 517, 518, 519,
 igr2=1031,1032,
 &end
#
#   26 LEU  MDX          63 ASN  HB+         4.00    (#   2682:20  Unique         2.21, 4.74 A)
 &rst
  ixpk= 2682, 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=1031,1032,
 &end
#
#   26 LEU  MDX          63 ASN  HB-         4.00    (#   2683:20  Unique         2.21, 4.74 A)
 &rst
  ixpk= 2683, 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=1031,1032,
 &end
#
#   32 THR  MG2          63 ASN  HB+         5.00    (#   2686:20  Unique         3.03, 4.85 A)
 &rst
  ixpk= 2686, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 517, 518, 519,
 igr2=1031,1032,
 &end
#
#  124 ARG  HG-         124 ARG  HD+         5.00    (#   2689:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 2689, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1966,1967,
 igr2=1969,1970,
 &end
#
#  124 ARG  HG+         124 ARG  HD+         4.00    (#   2690:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 2690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1966,1967,
 igr2=1969,1970,
 &end
#
#  124 ARG  HB-         124 ARG  HD+         5.00    (#   2691:20  Unique         2.07, 3.38 A)
 &rst
  ixpk= 2691, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1963,1964,
 igr2=1969,1970,
 &end
#
#  124 ARG  HG-         124 ARG  HD-         5.00    (#   2693:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 2693, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1966,1967,
 igr2=1969,1970,
 &end
#
#  124 ARG  HG+         124 ARG  HD-         4.00    (#   2694:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 2694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1966,1967,
 igr2=1969,1970,
 &end
#
#  124 ARG  HB-         124 ARG  HD-         5.00    (#   2695:20  Unique         2.07, 3.38 A)
 &rst
  ixpk= 2695, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1963,1964,
 igr2=1969,1970,
 &end
#
#  106 PHE  HA          106 PHE  HB-         5.00    (#   2698:20  Unique         2.44, 2.82 A)
 &rst
  ixpk= 2698, nxpk= 20, iat=1667,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1669,1670,
 &end
#
#   29 GLU  HB-          27 ILE  HB          6.00    (#   2703:20  Unique         6.72, 7.61 A)
 &rst
  ixpk= 2703, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 464, 465,
 &end
#
#   10 LEU  MDY          10 LEU  HB-         5.00    (#   2704:20  Unique         2.23, 3.37 A)
 &rst
  ixpk= 2704, 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  MDX          10 LEU  HB-         5.00    (#   2705:20  Unique         2.23, 3.37 A)
 &rst
  ixpk= 2705, 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
#
#   53 GLU  HA           56 ASP  HB+         4.00    (#   2711:20  Unique         2.90, 3.61 A)
 &rst
  ixpk= 2711, nxpk= 20, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 911, 912,
 &end
#
#    0 AMB  20-2:2712     0 AMB  20-1:2712   6.00    (#   2712:20  Double Ambig)
 &rst
  ixpk= 2712, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 890, 891, 887, 888,
 igr2= 911, 912, 911, 912,
 &end
#
#   53 GLU  HA            0 AMB  20-1:2714   5.00    (#   2714:20  Single Ambig)
 &rst
  ixpk= 2714, nxpk= 20, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 911, 912, 911, 912,
 &end
#
#   27 ILE  HA           27 ILE  HB          4.00    (#   2716:20  Unique         2.69, 2.76 A)
 &rst
  ixpk= 2716, nxpk= 20, iat= 436, 438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 GLU  HA           27 ILE  HB          5.00    (#   2717:20  Unique         3.15, 4.86 A)
 &rst
  ixpk= 2717, nxpk= 20, iat= 385, 438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 ILE  HG1-         27 ILE  HB          3.00    (#   2718:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 2718, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 444, 445,
 &end
#
#   27 ILE  QD1          27 ILE  HB          3.00    (#   2719:20  Unique         2.26, 3.05 A)
 &rst
  ixpk= 2719, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 447, 448, 449,
 &end
#
#   52 ASN  HB+          89 ASP  HB+         5.00    (#   2723:20  Unique         1.94, 3.31 A)
 &rst
  ixpk= 2723, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 838, 839,
 igr2=1421,1422,
 &end
#
#   34 ILE  HG1+         34 ILE  HB          4.00    (#   2724:20  Unique         2.43, 2.84 A)
 &rst
  ixpk= 2724, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 554, 555,
 &end
#
#   34 ILE  QD1          34 ILE  HB          4.00    (#   2725:20  Unique         1.99, 2.82 A)
 &rst
  ixpk= 2725, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 557, 558, 559,
 &end
#
#   89 ASP  HA           89 ASP  HB-         3.00    (#   2729:20  Unique         2.44, 2.80 A)
 &rst
  ixpk= 2729, nxpk= 20, iat=1419,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1421,1422,
 &end
#
#    0 AMB  20-2:2733     0 AMB  20-1:2733   3.00    (#   2733:20  Double Ambig)
 &rst
  ixpk= 2733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 909,1645,
 igr2= 911, 912, 911, 912,1647,1648,
 &end
#
#   88 HIS  HA           89 ASP  HB+         6.00    (#   2734:20  Unique         3.97, 4.69 A)
 &rst
  ixpk= 2734, nxpk= 20, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1421,1422,
 &end
#
#   89 ASP  HA           89 ASP  HB+         3.00    (#   2735:20  Unique         2.44, 2.80 A)
 &rst
  ixpk= 2735, nxpk= 20, iat=1419,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1421,1422,
 &end
#
#  115 TYR  HB-          34 ILE  HB          5.00    (#   2737:20  Unique         2.17, 3.20 A)
 &rst
  ixpk= 2737, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1815,1816,
 &end
#
#   34 ILE  QG2          34 ILE  HB          3.00    (#   2738:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2738, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 550, 551, 552,
 &end
#
#  104 ASP  HA          104 ASP  HB-         4.00    (#   2743:20  Unique         2.44, 2.82 A)
 &rst
  ixpk= 2743, nxpk= 20, iat=1645,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1647,1648,
 &end
#
#    0 AMB  20-2:2744   104 ASP  HB-         4.00    (#   2744:20  Single Ambig)
 &rst
  ixpk= 2744, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1602,1657,
 igr2=1647,1648,
 &end
#
#    0 AMB  20-2:2746     0 AMB  20-1:2746   5.00    (#   2746:20  Double Ambig)
 &rst
  ixpk= 2746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1602,1657,
 igr2=1647,1648,1647,1648,
 &end
#
#   34 ILE  HG1-         34 ILE  HB          4.00    (#   2749:20  Unique         2.43, 2.84 A)
 &rst
  ixpk= 2749, nxpk= 20, iat=  -1, 548, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 554, 555,
 &end
#
#  103 THR  HB          104 ASP  HB-         6.00    (#   2756:20  Unique         4.35, 5.73 A)
 &rst
  ixpk= 2756, nxpk= 20, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1647,1648,
 &end
#
#   39 ILE  HA           39 ILE  HB          4.00    (#   2772:20  Unique         2.30, 2.39 A)
 &rst
  ixpk= 2772, nxpk= 20, iat= 637, 639, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 THR  MG2          39 ILE  HB          4.00    (#   2773:20  Unique         2.13, 3.44 A)
 &rst
  ixpk= 2773, nxpk= 20, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1357,1358,1359,
 &end
#
#   39 ILE  QG2          39 ILE  HB          4.00    (#   2774:20  Unique         2.24, 2.64 A)
 &rst
  ixpk= 2774, nxpk= 20, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 641, 642, 643,
 &end
#
#   39 ILE  QD1          39 ILE  HB          4.00    (#   2775:20  Unique         2.06, 2.95 A)
 &rst
  ixpk= 2775, nxpk= 20, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 648, 649, 650,
 &end
#
#    0 AMB  20-2:2776    39 ILE  HB          6.00    (#   2776:20  Single Ambig)
 &rst
  ixpk= 2776, nxpk= 20, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1353, 626,
 &end
#
#    0 AMB  20-2:2788     0 AMB  20-1:2788   6.00    (#   2788:20  Double Ambig)
 &rst
  ixpk= 2788, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1499,1500,1501,1538,1539,1540,1542,1543,1544,
 igr2=1516,1517,1516,1517,
 &end
#
#   67 VAL  MGX          95 PHE  HB-         6.00    (#   2798:20  Unique         2.02, 4.91 A)
 &rst
  ixpk= 2798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1089,1090,1091,1093,1094,1095,
 igr2=1516,1517,
 &end
#
#  133 MET  ME           54 PHE  HB-         6.00    (#   2825:20  Unique         1.96, 3.10 A)
 &rst
  ixpk= 2825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2090,2091,2092,
 igr2= 867, 868,
 &end
#
#   54 PHE  HA           54 PHE  HB-         4.00    (#   2833:20  Unique         2.32, 2.70 A)
 &rst
  ixpk= 2833, nxpk= 20, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 867, 868,
 &end
#
#   54 PHE  HA           54 PHE  HB+         4.00    (#   2835:20  Unique         2.32, 2.70 A)
 &rst
  ixpk= 2835, nxpk= 20, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 867, 868,
 &end
#
#    0 AMB  20-2:2837     0 AMB  20-1:2837   6.00    (#   2837:20  Double Ambig)
 &rst
  ixpk= 2837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=2294,2295,2296,2298,2299,2300,2221,2222,2223,2225,
      2226,2227,
 igr2=2235,2236,2235,2236,
 &end
#
#   61 GLN  HB-          58 TYR  HB-         5.00    (#   2839:20  Unique         1.88, 3.07 A)
 &rst
  ixpk= 2839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 995, 996,
 igr2= 945, 946,
 &end
#
#    0 AMB  20-2:2841     0 AMB  20-1:2841   5.00    (#   2841:20  Double Ambig)
 &rst
  ixpk= 2841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
 igr1=1012,1013, 534, 535, 536, 538, 539, 540,
 igr2= 945, 946, 867, 868,
 &end
#
#   62 LEU  MDY          58 TYR  HB-         5.00    (#   2842:20  Unique         1.97, 5.69 A)
 &rst
  ixpk= 2842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1017,1018,1019,1021,1022,1023,
 igr2= 945, 946,
 &end
#
#  141 ASN  HA          141 ASN  HB-         4.00    (#   2843:20  Unique         2.40, 2.76 A)
 &rst
  ixpk= 2843, nxpk= 20, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2235,2236,
 &end
#
#  138 LYS  HA          141 ASN  HB-         5.00    (#   2844:20  Unique         2.26, 3.59 A)
 &rst
  ixpk= 2844, nxpk= 20, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2235,2236,
 &end
#
#  141 ASN  HA          141 ASN  HB+         4.00    (#   2846:20  Unique         2.40, 2.76 A)
 &rst
  ixpk= 2846, nxpk= 20, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2235,2236,
 &end
#
#    0 AMB  20-2:2849     0 AMB  20-1:2849   6.00    (#   2849:20  Double Ambig)
 &rst
  ixpk= 2849, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1=1047,1048,1049,1051,1052,1053,1012,1013,
 igr2= 945, 946, 945, 946,
 &end
#
#    0 AMB  20-2:2852   141 ASN  HB-         5.00    (#   2852:20  Single Ambig)
 &rst
  ixpk= 2852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1=2173,2174,2219,2249,2250,2161,2162,
 igr2=2235,2236,
 &end
#
#  138 LYS  HA          141 ASN  HB+         5.00    (#   2853:20  Unique         2.26, 3.59 A)
 &rst
  ixpk= 2853, nxpk= 20, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2235,2236,
 &end
#
#    0 AMB  20-2:2854     0 AMB  20-1:2854   6.00    (#   2854:20  Double Ambig)
 &rst
  ixpk= 2854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=2294,2295,2296,2298,2299,2300,2221,2222,2223,2225,
      2226,2227,
 igr2=2235,2236,2235,2236,
 &end
#
#    0 AMB  20-2:2855     0 AMB  20-1:2855   5.00    (#   2855:20  Double Ambig)
 &rst
  ixpk= 2855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.78, r4=10.28,
 igr1=2173,2174,2219,2249,2250,2161,2162,
 igr2=2235,2236,2235,2236,2235,2236,2235,2236,
 &end
#
#   61 GLN  HB-          58 TYR  HB+         5.00    (#   2856:20  Unique         1.88, 3.07 A)
 &rst
  ixpk= 2856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 995, 996,
 igr2= 945, 946,
 &end
#
#   62 LEU  MDY          58 TYR  HB+         5.00    (#   2857:20  Unique         1.97, 5.69 A)
 &rst
  ixpk= 2857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1017,1018,1019,1021,1022,1023,
 igr2= 945, 946,
 &end
#
#    0 AMB  20-2:2861    58 TYR  HB-         5.00    (#   2861:20  Single Ambig)
 &rst
  ixpk= 2861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 995, 996, 998, 999,
 igr2= 945, 946,
 &end
#
#   81 ILE  HG1+         81 ILE  HB          5.00    (#   2864:20  Unique         2.36, 2.79 A)
 &rst
  ixpk= 2864, nxpk= 20, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1305,1306,
 &end
#
#   81 ILE  QD1          81 ILE  HB          4.00    (#   2865:20  Unique         2.04, 2.96 A)
 &rst
  ixpk= 2865, nxpk= 20, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1308,1309,1310,
 &end
#
#   78 PRO  HA           81 ILE  HB          4.00    (#   2868:20  Unique         2.13, 2.65 A)
 &rst
  ixpk= 2868, nxpk= 20, iat=1262,1299, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 LEU  MDY          81 ILE  HB          6.00    (#   2869:20  Unique         2.48, 5.19 A)
 &rst
  ixpk= 2869, nxpk= 20, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#   17 LEU  MDX          81 ILE  HB          5.00    (#   2870:20  Unique         2.48, 5.19 A)
 &rst
  ixpk= 2870, nxpk= 20, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#   81 ILE  QG2          81 ILE  HB          4.00    (#   2871:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2871, nxpk= 20, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1301,1302,1303,
 &end
#
#   81 ILE  HA           81 ILE  HB          6.00    (#   2873:20  Unique         2.97, 3.01 A)
 &rst
  ixpk= 2873, nxpk= 20, iat=1297,1299, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   81 ILE  HG1-         81 ILE  HB          5.00    (#   2874:20  Unique         2.36, 2.79 A)
 &rst
  ixpk= 2874, nxpk= 20, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1305,1306,
 &end
#
#   24 GLU  HA           24 GLU  HG-         4.00    (#   2877:20  Unique         3.53, 3.74 A)
 &rst
  ixpk= 2877, nxpk= 20, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 390, 391,
 &end
#
#   23 ARG  HG-          24 GLU  HG+         6.00    (#   2880:20  Unique         3.30, 4.97 A)
 &rst
  ixpk= 2880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 366, 367,
 igr2= 390, 391,
 &end
#
#   24 GLU  HA           24 GLU  HG+         4.00    (#   2884:20  Unique         3.53, 3.74 A)
 &rst
  ixpk= 2884, nxpk= 20, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 390, 391,
 &end
#
#   21 VAL  MGX          24 GLU  HG+         6.00    (#   2885:20  Unique         4.53, 7.30 A)
 &rst
  ixpk= 2885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 335, 336, 337, 339, 340, 341,
 igr2= 390, 391,
 &end
#
#    0 AMB  20-2:2887    24 GLU  HG-         5.00    (#   2887:20  Single Ambig)
 &rst
  ixpk= 2887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 363, 364, 419, 420, 422,
 igr2= 390, 391,
 &end
#
#   18 ASN  HA           18 ASN  HB-         4.00    (#   2894:20  Unique         2.30, 2.80 A)
 &rst
  ixpk= 2894, nxpk= 20, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 297, 298,
 &end
#
#   18 ASN  HA           18 ASN  HB+         4.00    (#   2901:20  Unique         2.30, 2.80 A)
 &rst
  ixpk= 2901, nxpk= 20, iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 297, 298,
 &end
#
#  146 GLU  HA          146 GLU  HG-         4.00    (#   2903:20  Unique         2.52, 3.48 A)
 &rst
  ixpk= 2903, nxpk= 20, iat=2316,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2321,2322,
 &end
#
#  143 VAL  HA          146 GLU  HG-         5.00    (#   2904:20  Unique         1.94, 2.81 A)
 &rst
  ixpk= 2904, nxpk= 20, iat=2271,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2321,2322,
 &end
#
#  146 GLU  HB-         146 GLU  HG-         3.00    (#   2906:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 2906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2318,2319,
 igr2=2321,2322,
 &end
#
#    0 AMB  20-2:2907   146 GLU  HG-         6.00    (#   2907:20  Single Ambig)
 &rst
  ixpk= 2907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=2308,2309,2310,1963,1964,
 igr2=2321,2322,
 &end
#
#    0 AMB  20-2:2908   146 GLU  HG-         5.00    (#   2908:20  Single Ambig)
 &rst
  ixpk= 2908, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 igr2=2321,2322,
 &end
#
#    0 AMB  20-2:2909   146 GLU  HG-         6.00    (#   2909:20  Single Ambig)
 &rst
  ixpk= 2909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=2308,2309,2310,1963,1964,
 igr2=2321,2322,
 &end
#
#   46 GLU  HA           46 GLU  HG-         3.00    (#   2910:20  Unique         2.53, 3.25 A)
 &rst
  ixpk= 2910, nxpk= 20, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 752, 753,
 &end
#
#  146 GLU  HA          146 GLU  HG+         4.00    (#   2912:20  Unique         2.52, 3.48 A)
 &rst
  ixpk= 2912, nxpk= 20, iat=2316,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2321,2322,
 &end
#
#  148 GLU  HB-         148 GLU  HG+         3.00    (#   2914:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 2914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2347,2348,
 igr2=2350,2351,
 &end
#
#    0 AMB  20-2:2915    53 GLU  HG-         6.00    (#   2915:20  Single Ambig)
 &rst
  ixpk= 2915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2086,2087, 887, 888,
 igr2= 855, 856,
 &end
#
#   69 MET  HG+          69 MET  HB+         5.00    (#   2920:20  Unique         2.27, 2.70 A)
 &rst
  ixpk= 2920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1123,1124,
 igr2=1120,1121,
 &end
#
#   69 MET  HG+          69 MET  HB-         5.00    (#   2921:20  Unique         2.27, 2.70 A)
 &rst
  ixpk= 2921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1123,1124,
 igr2=1120,1121,
 &end
#
#    0 AMB  20-2:2926     0 AMB  20-1:2926   5.00    (#   2926:20  Double Ambig)
 &rst
  ixpk= 2926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1497,1483,1484,
 igr2= 297, 298, 297, 298,
 &end
#
#    0 AMB  20-2:2929   146 GLU  HG-         5.00    (#   2929:20  Single Ambig)
 &rst
  ixpk= 2929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2249,2250,1966,1967,
 igr2=2321,2322,
 &end
#
#  142 ARG  HG+         146 GLU  HG-         6.00    (#   2930:20  Unique         2.97, 4.97 A)
 &rst
  ixpk= 2930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2252,2253,
 igr2=2321,2322,
 &end
#
#   50 GLN  HA           53 GLU  HG+         3.00    (#   2932:20  Unique         1.91, 2.71 A)
 &rst
  ixpk= 2932, nxpk= 20, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 855, 856,
 &end
#
#   57 LYS  HD+          53 GLU  HG+         5.00    (#   2934:20  Unique         2.26, 4.84 A)
 &rst
  ixpk= 2934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 929, 930,
 igr2= 855, 856,
 &end
#
#   57 LYS  HB-          53 GLU  HG+         5.00    (#   2935:20  Unique         3.69, 5.61 A)
 &rst
  ixpk= 2935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 923, 924,
 igr2= 855, 856,
 &end
#
#   43 LEU  HA           46 GLU  HG+         3.00    (#   2936:20  Unique         2.00, 2.77 A)
 &rst
  ixpk= 2936, nxpk= 20, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 752, 753,
 &end
#
#  101 ALA  MB            9 GLU  HG+         5.00    (#   2938:20  Unique         1.96, 4.05 A)
 &rst
  ixpk= 2938, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1604,1605,1606,
 igr2= 155, 156,
 &end
#
#  104 ASP  HB-           9 GLU  HG-         4.00    (#   2939:20  Unique         3.90, 5.47 A)
 &rst
  ixpk= 2939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1647,1648,
 igr2= 155, 156,
 &end
#
#   50 GLN  HA           53 GLU  HG-         3.00    (#   2943:20  Unique         1.91, 2.71 A)
 &rst
  ixpk= 2943, nxpk= 20, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 855, 856,
 &end
#
#   65 VAL  HA           65 VAL  HB          5.00    (#   2947:20  Unique         2.25, 2.32 A)
 &rst
  ixpk= 2947, nxpk= 20, iat=1059,1061, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 VAL  MGX          65 VAL  HB          3.00    (#   2948:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 2948, nxpk= 20, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1063,1064,1065,1067,1068,1069,
 &end
#
#   26 LEU  MDY          65 VAL  HB          4.00    (#   2949:20  Unique         1.95, 4.13 A)
 &rst
  ixpk= 2949, nxpk= 20, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:2950    65 VAL  HB          5.00    (#   2950:20  Single Ambig)
 &rst
  ixpk= 2950, nxpk= 20, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 517, 518, 519, 554, 555,
 &end
#
#   34 ILE  QG2          65 VAL  HB          5.00    (#   2951:20  Unique         4.37, 5.83 A)
 &rst
  ixpk= 2951, nxpk= 20, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 550, 551, 552,
 &end
#
#    0 AMB  20-2:2952     0 AMB  20-1:2952   4.00    (#   2952:20  Double Ambig)
 &rst
  ixpk= 2952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1367,1101,
 igr2=1433,1120,1121,
 &end
#
#    0 AMB  20-2:2953    90 ILE  HB          6.00    (#   2953:20  Single Ambig)
 &rst
  ixpk= 2953, nxpk= 20, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 824, 825, 826, 828, 829, 830, 283, 284, 285, 287,
       288, 289,
 &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= 6.79, r4= 7.29,
 igr1=1756,1757,1758,1760,1761,1762,1503,1504,
 igr2=1120,1121,1433,
 &end
#
#   90 ILE  QG2          90 ILE  HB          4.00    (#   2955:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2955, nxpk= 20, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1435,1436,1437,
 &end
#
#   90 ILE  QD1          90 ILE  HB          4.00    (#   2956:20  Unique         2.35, 3.12 A)
 &rst
  ixpk= 2956, nxpk= 20, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1442,1443,1444,
 &end
#
#   94 ILE  HG1+         18 ASN  HB+         4.00    (#   2968:20  Unique         2.64, 4.78 A)
 &rst
  ixpk= 2968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1503,1504,
 igr2= 297, 298,
 &end
#
#   50 GLN  HG-          53 GLU  HG+         4.00    (#   2971:20  Unique         3.56, 5.21 A)
 &rst
  ixpk= 2971, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 808, 809,
 igr2= 855, 856,
 &end
#
#    0 AMB  20-2:2973     0 AMB  20-1:2973   3.00    (#   2973:20  Double Ambig)
 &rst
  ixpk= 2973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=2271, 150,
 igr2=2321,2322, 155, 156,
 &end
#
#    0 AMB  20-2:2974     0 AMB  20-1:2974   4.00    (#   2974:20  Double Ambig)
 &rst
  ixpk= 2974, 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
#
#    0 AMB  20-2:2975     0 AMB  20-1:2975   4.00    (#   2975:20  Double Ambig)
 &rst
  ixpk= 2975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=2252,2253, 141, 142,
 igr2=2321,2322, 155, 156,
 &end
#
#    0 AMB  20-2:2976     0 AMB  20-1:2976   3.00    (#   2976:20  Double Ambig)
 &rst
  ixpk= 2976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=2275,2276,2277,2279,2280,2281, 702, 703, 704, 706,
       707, 708,
 igr2=2321,2322, 752, 753,
 &end
#
#   29 GLU  HA           29 GLU  HG-         4.00    (#   2978:20  Unique         2.14, 3.13 A)
 &rst
  ixpk= 2978, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 467, 468,
 &end
#
#    0 AMB  20-2:2981     9 GLU  HG-         4.00    (#   2981:20  Single Ambig)
 &rst
  ixpk= 2981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 188, 189, 190,1614,1615, 138, 139,
 igr2= 155, 156,
 &end
#
#   10 LEU  MDX           9 GLU  HG-         5.00    (#   2982:20  Unique         3.80, 7.06 A)
 &rst
  ixpk= 2982, 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= 155, 156,
 &end
#
#   57 LYS  HD-         137 GLU  HG-         5.00    (#   2984:20  Unique         3.04, 5.01 A)
 &rst
  ixpk= 2984, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 929, 930,
 igr2=2161,2162,
 &end
#
#  138 LYS  HD+         137 GLU  HG-         4.00    (#   2989:20  Unique         2.15, 4.54 A)
 &rst
  ixpk= 2989, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2179,2180,
 igr2=2161,2162,
 &end
#
#  138 LYS  HG+         137 GLU  HG-         5.00    (#   2990:20  Unique         1.89, 6.19 A)
 &rst
  ixpk= 2990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2176,2177,
 igr2=2161,2162,
 &end
#
#   29 GLU  HA           29 GLU  HG+         4.00    (#   2993:20  Unique         2.14, 3.13 A)
 &rst
  ixpk= 2993, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 467, 468,
 &end
#
#  109 GLU  HB-         109 GLU  HG-         3.00    (#   3000:20  Unique         2.28, 2.76 A)
 &rst
  ixpk= 3000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1718,1719,
 igr2=1721,1722,
 &end
#
#  109 GLU  HA          109 GLU  HG+         4.00    (#   3002:20  Unique         2.06, 2.65 A)
 &rst
  ixpk= 3002, nxpk= 20, iat=1716,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1721,1722,
 &end
#
#   57 LYS  HB-          53 GLU  HG+         5.00    (#   3008:20  Unique         3.69, 5.61 A)
 &rst
  ixpk= 3008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 923, 924,
 igr2= 855, 856,
 &end
#
#   28 GLY  HA+          29 GLU  HG-         6.00    (#   3010:20  Unique         3.31, 6.17 A)
 &rst
  ixpk= 3010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 455, 456,
 igr2= 467, 468,
 &end
#
#    0 AMB  20-2:3012    29 GLU  HG-         4.00    (#   3012:20  Single Ambig)
 &rst
  ixpk= 3012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 482, 483, 485, 486,
 igr2= 467, 468,
 &end
#
#    0 AMB  20-2:3014     0 AMB  20-1:3014   3.00    (#   3014:20  Double Ambig)
 &rst
  ixpk= 3014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1659,1660,1661, 141, 142, 479, 480,
 igr2= 155, 156, 467, 468,
 &end
#
#    0 AMB  20-2:3015     0 AMB  20-1:3015   3.00    (#   3015:20  Double Ambig)
 &rst
  ixpk= 3015, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 482, 483, 485, 486,
 igr2= 467, 468, 467, 468,
 &end
#
#  109 GLU  HA          109 GLU  HG-         4.00    (#   3022:20  Unique         2.06, 2.65 A)
 &rst
  ixpk= 3022, nxpk= 20, iat=1716,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1721,1722,
 &end
#
#  109 GLU  HB-         109 GLU  HG+         3.00    (#   3024:20  Unique         2.28, 2.76 A)
 &rst
  ixpk= 3024, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1718,1719,
 igr2=1721,1722,
 &end
#
#    0 AMB  20-2:3032     0 AMB  20-1:3032   3.00    (#   3032:20  Double Ambig)
 &rst
  ixpk= 3032, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1890,1891,1379,1380,1381,
 igr2= 467, 468,1392,1393,
 &end
#
#  137 GLU  HA          137 GLU  HG-         4.00    (#   3034:20  Unique         2.21, 2.70 A)
 &rst
  ixpk= 3034, nxpk= 20, iat=2156,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2161,2162,
 &end
#
#   86 ALA  MB           87 GLU  HG-         5.00    (#   3038:20  Unique         3.32, 5.75 A)
 &rst
  ixpk= 3038, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1379,1380,1381,
 igr2=1392,1393,
 &end
#
#   87 GLU  HA           87 GLU  HG+         3.00    (#   3041:20  Unique         2.33, 3.07 A)
 &rst
  ixpk= 3041, nxpk= 20, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1392,1393,
 &end
#
#   87 GLU  HA           87 GLU  HG-         4.00    (#   3042:20  Unique         2.33, 3.07 A)
 &rst
  ixpk= 3042, nxpk= 20, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1392,1393,
 &end
#
#    0 AMB  20-2:3044    87 GLU  HG-         5.00    (#   3044:20  Single Ambig)
 &rst
  ixpk= 3044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1379,1380,1381,1357,1358,1359,
 igr2=1392,1393,
 &end
#
#    0 AMB  20-2:3047    50 GLN  HG-         3.00    (#   3047:20  Single Ambig)
 &rst
  ixpk= 3047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 803,2074,2075,
 igr2= 808, 809,
 &end
#
#    0 AMB  20-2:3051    21 VAL  HB          3.00    (#   3051:20  Single Ambig)
 &rst
  ixpk= 3051, nxpk= 20, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 335, 336, 337, 339, 340, 341, 335, 336, 337, 339,
       340, 341,
 &end
#
#   21 VAL  HA           21 VAL  HB          4.00    (#   3052:20  Unique         2.33, 2.60 A)
 &rst
  ixpk= 3052, nxpk= 20, iat= 331, 333, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:3058     0 AMB  20-1:3058   6.00    (#   3058:20  Double Ambig)
 &rst
  ixpk= 3058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 791, 792, 855, 856, 749, 750,
 igr2= 808, 809, 808, 809, 808, 809,
 &end
#
#    0 AMB  20-2:3062     1 MET  HB-         4.00    (#   3062:20  Single Ambig)
 &rst
  ixpk= 3062, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  11,  12,  93,  94,
 igr2=   8,   9,
 &end
#
#  123 LEU  MDX           1 MET  HB-         4.00    (#   3074:20  Unique         2.03, 5.59 A)
 &rst
  ixpk= 3074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=   8,   9,
 &end
#
#   31 PRO  HD+          30 LYS  HB+         4.00    (#   3075:20  Unique         1.85, 3.09 A)
 &rst
  ixpk= 3075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 498, 499,
 igr2= 479, 480,
 &end
#
#   31 PRO  HD-          30 LYS  HB+         5.00    (#   3076:20  Unique         1.85, 3.09 A)
 &rst
  ixpk= 3076, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 498, 499,
 igr2= 479, 480,
 &end
#
#    0 AMB  20-2:3078     0 AMB  20-1:3078   3.00    (#   3078:20  Double Ambig)
 &rst
  ixpk= 3078, 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
#
#  119 LYS  HG-          30 LYS  HB+         6.00    (#   3079:20  Unique         6.62, 7.58 A)
 &rst
  ixpk= 3079, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1887,1888,
 igr2= 479, 480,
 &end
#
#   43 LEU  MDY         112 PRO  HB+         6.00    (#   3081:20  Unique         4.33, 7.00 A)
 &rst
  ixpk= 3081, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 702, 703, 704, 706, 707, 708,
 igr2=1773,1774,
 &end
#
#    1 MET  HA            1 MET  HB+         4.00    (#   3082:20  Unique         2.38, 2.72 A)
 &rst
  ixpk= 3082, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=   8,   9,
 &end
#
#   31 PRO  HD+          30 LYS  HB-         5.00    (#   3083:20  Unique         1.85, 3.09 A)
 &rst
  ixpk= 3083, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 498, 499,
 igr2= 479, 480,
 &end
#
#    0 AMB  20-2:3084    30 LYS  HB-         3.00    (#   3084:20  Single Ambig)
 &rst
  ixpk= 3084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 485, 486, 482, 483,
 igr2= 479, 480,
 &end
#
#    0 AMB  20-2:3085    20 GLU  HG-         4.00    (#   3085:20  Single Ambig)
 &rst
  ixpk= 3085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 254, 255, 316,
 igr2= 321, 322,
 &end
#
#   20 GLU  HB-          20 GLU  HG-         3.00    (#   3087:20  Unique         2.27, 2.69 A)
 &rst
  ixpk= 3087, 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  20-2:3088     0 AMB  20-1:3088   4.00    (#   3088:20  Double Ambig)
 &rst
  ixpk= 3088, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 254, 255, 316,
 igr2= 321, 322, 321, 322,
 &end
#
#   20 GLU  HB-          20 GLU  HG+         3.00    (#   3090:20  Unique         2.27, 2.69 A)
 &rst
  ixpk= 3090, 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  20-2:3100   112 PRO  HB-         5.00    (#   3100:20  Single Ambig)
 &rst
  ixpk= 3100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1767,1768, 567, 568,
 igr2=1773,1774,
 &end
#
#    0 AMB  20-2:3106     0 AMB  20-1:3106   5.00    (#   3106:20  Double Ambig)
 &rst
  ixpk= 3106, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1767,1768, 567, 568,
 igr2=1773,1774,1773,1774,
 &end
#
#  111 VAL  HA          111 VAL  HB          3.00    (#   3108:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 3108, nxpk= 20, iat=1752,1754, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:3109     0 AMB  20-1:3109   5.00    (#   3109:20  Double Ambig)
 &rst
  ixpk= 3109, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 584, 585, 604, 605,
 igr2=1754,1773,1774,
 &end
#
#    5 GLN  HB+           1 MET  HB+         4.00    (#   3110:20  Unique         2.00, 4.21 A)
 &rst
  ixpk= 3110, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  90,  91,
 igr2=   8,   9,
 &end
#
#  111 VAL  MGY           0 AMB  20-1:3111   3.00    (#   3111:20  Single Ambig)
 &rst
  ixpk= 3111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1754,1773,1774,
 &end
#
#    0 AMB  20-2:3112     0 AMB  20-1:3112   4.00    (#   3112:20  Double Ambig)
 &rst
  ixpk= 3112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
 igr1=1669,1670,  11,  12,  11,  12,  93,  94,
 igr2=   8,   9,   8,   9,   8,   9,   8,   9,
 &end
#
#   95 PHE  HA           20 GLU  HG-         6.00    (#   3117:20  Unique         2.49, 5.03 A)
 &rst
  ixpk= 3117, nxpk= 20, iat=1514,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 321, 322,
 &end
#
#   16 TRP  HB-          20 GLU  HG+         6.00    (#   3118:20  Unique         1.85, 3.45 A)
 &rst
  ixpk= 3118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 254, 255,
 igr2= 321, 322,
 &end
#
#    0 AMB  20-2:3123     0 AMB  20-1:3123   5.00    (#   3123:20  Double Ambig)
 &rst
  ixpk= 3123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 983, 984, 983, 984,
 igr2= 998, 999, 998, 999,
 &end
#
#    0 AMB  20-2:3124    61 GLN  HG-         5.00    (#   3124:20  Single Ambig)
 &rst
  ixpk= 3124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 983, 984, 983, 984,
 igr2= 998, 999,
 &end
#
#    0 AMB  20-2:3132     0 AMB  20-1:3132   6.00    (#   3132:20  Double Ambig)
 &rst
  ixpk= 3132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 923, 924, 479, 480,
 igr2= 998, 999, 998, 999,
 &end
#
#   60 ASP  HA           61 GLN  HG+         5.00    (#   3133:20  Unique         4.93, 5.56 A)
 &rst
  ixpk= 3133, nxpk= 20, iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 998, 999,
 &end
#
#   61 GLN  HA           61 GLN  HG+         3.00    (#   3134:20  Unique         2.22, 2.87 A)
 &rst
  ixpk= 3134, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 998, 999,
 &end
#
#   61 GLN  HB-          61 GLN  HG+         3.00    (#   3136:20  Unique         2.36, 2.74 A)
 &rst
  ixpk= 3136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 995, 996,
 igr2= 998, 999,
 &end
#
#    0 AMB  20-2:3137   122 GLN  HG-         5.00    (#   3137:20  Single Ambig)
 &rst
  ixpk= 3137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  64,1942,
 igr2=1930,1931,
 &end
#
#    0 AMB  20-2:3138   122 GLN  HG-         3.00    (#   3138:20  Single Ambig)
 &rst
  ixpk= 3138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 110, 111,1927,1928,1966,1967,
 igr2=1930,1931,
 &end
#
#  120 THR  MG2         122 GLN  HG-         6.00    (#   3140:20  Unique         1.97, 4.19 A)
 &rst
  ixpk= 3140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1908,1909,1910,
 igr2=1930,1931,
 &end
#
#   61 GLN  HA           61 GLN  HG-         3.00    (#   3141:20  Unique         2.22, 2.87 A)
 &rst
  ixpk= 3141, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 998, 999,
 &end
#
#  144 LEU  MDY          61 GLN  HG-         6.00    (#   3142:20  Unique         2.29, 5.88 A)
 &rst
  ixpk= 3142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2= 998, 999,
 &end
#
#    0 AMB  20-2:3143     0 AMB  20-1:3143   3.00    (#   3143:20  Double Ambig)
 &rst
  ixpk= 3143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 110, 111, 890, 891,1927,1928,1966,1967,
 igr2=1930,1931,1045,1930,1931,1930,1931,
 &end
#
#    0 AMB  20-2:3144     0 AMB  20-1:3144   5.00    (#   3144:20  Double Ambig)
 &rst
  ixpk= 3144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=  64,1942,
 igr2=1930,1931,1930,1931,
 &end
#
#   64 VAL  MGY          64 VAL  HB          3.00    (#   3145:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3145, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#   64 VAL  MGX          64 VAL  HB          3.00    (#   3146:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3146, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#    2 LYS  HA            2 LYS  HB+         3.00    (#   3147:20  Unique         2.29, 2.48 A)
 &rst
  ixpk= 3147, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  25,  26,
 &end
#
#    2 LYS  HA            2 LYS  HB-         4.00    (#   3149:20  Unique         2.29, 2.48 A)
 &rst
  ixpk= 3149, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  25,  26,
 &end
#
#  122 GLN  HA          122 GLN  HG+         4.00    (#   3157:20  Unique         2.08, 3.08 A)
 &rst
  ixpk= 3157, nxpk= 20, iat=1925,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1930,1931,
 &end
#
#    0 AMB  20-2:3158     0 AMB  20-1:3158   6.00    (#   3158:20  Double Ambig)
 &rst
  ixpk= 3158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 885, 104, 105,
 igr2=1045,1930,1931,
 &end
#
#    0 AMB  20-2:3160    64 VAL  HB          5.00    (#   3160:20  Single Ambig)
 &rst
  ixpk= 3160, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1017,1018,1019,1021,1022,1023,1503,1504,
 &end
#
#    2 LYS  HG-           2 LYS  HB+         3.00    (#   3161:20  Unique         2.26, 2.73 A)
 &rst
  ixpk= 3161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  28,  29,
 igr2=  25,  26,
 &end
#
#    0 AMB  20-2:3164     2 LYS  HB-         4.00    (#   3164:20  Single Ambig)
 &rst
  ixpk= 3164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  93,  94,  11,  12,
 igr2=  25,  26,
 &end
#
#   22 THR  MG2          25 GLN  HG-         6.00    (#   3170:20  Unique         5.62, 7.75 A)
 &rst
  ixpk= 3170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 351, 352, 353,
 igr2= 405, 406,
 &end
#
#  144 LEU  MDX          61 GLN  HG+         4.00    (#   3171:20  Unique         2.29, 5.88 A)
 &rst
  ixpk= 3171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2= 998, 999,
 &end
#
#  124 ARG  HB-           0 AMB  20-1:3172   6.00    (#   3172:20  Single Ambig)
 &rst
  ixpk= 3172, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1963,1964,
 igr2=1987,1988,1930,1931,
 &end
#
#    0 AMB  20-2:3173   122 GLN  HG-         6.00    (#   3173:20  Single Ambig)
 &rst
  ixpk= 3173, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1944,1945, 128, 129, 130,
 igr2=1930,1931,
 &end
#
#  120 THR  MG2         122 GLN  HG-         6.00    (#   3174:20  Unique         1.97, 4.19 A)
 &rst
  ixpk= 3174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1908,1909,1910,
 igr2=1930,1931,
 &end
#
#  116 VAL  MGY         125 HIS  HB+         4.00    (#   3175:20  Unique         2.90, 5.65 A)
 &rst
  ixpk= 3175, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1838,1839,1840,1842,1843,1844,
 igr2=1987,1988,
 &end
#
#  124 ARG  HB-         122 GLN  HG+         6.00    (#   3179:20  Unique         4.48, 7.67 A)
 &rst
  ixpk= 3179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1963,1964,
 igr2=1930,1931,
 &end
#
#   92 GLN  HB+          64 VAL  HB          6.00    (#   3180:20  Unique         2.10, 2.76 A)
 &rst
  ixpk= 3180, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1466,1467,
 &end
#
#    0 AMB  20-2:3181    64 VAL  HB          5.00    (#   3181:20  Single Ambig)
 &rst
  ixpk= 3181, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 824, 825, 826, 828, 829, 830, 534, 535, 536, 538,
       539, 540,1063,1064,1065,1067,1068,1069,
 &end
#
#  124 ARG  HB-         122 GLN  HG+         6.00    (#   3186:20  Unique         4.48, 7.67 A)
 &rst
  ixpk= 3186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1963,1964,
 igr2=1930,1931,
 &end
#
#  116 VAL  HB          125 HIS  HB-         4.00    (#   3190:20  Unique         2.92, 4.13 A)
 &rst
  ixpk= 3190, nxpk= 20, iat=1836,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1987,1988,
 &end
#
#    0 AMB  20-2:3191   125 HIS  HB-         4.00    (#   3191:20  Single Ambig)
 &rst
  ixpk= 3191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 igr2=1987,1988,
 &end
#
#    5 GLN  HA            5 GLN  HG+         4.00    (#   3197:20  Unique         2.06, 3.08 A)
 &rst
  ixpk= 3197, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  93,  94,
 &end
#
#    1 MET  HA            5 GLN  HG+         5.00    (#   3198:20  Unique         2.02, 4.39 A)
 &rst
  ixpk= 3198, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  93,  94,
 &end
#
#    6 PRO  HD+           5 GLN  HG+         5.00    (#   3199:20  Unique         3.52, 5.00 A)
 &rst
  ixpk= 3199, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 104, 105,
 igr2=  93,  94,
 &end
#
#    6 PRO  HD-           5 GLN  HG+         5.00    (#   3200:20  Unique         3.52, 5.00 A)
 &rst
  ixpk= 3200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 104, 105,
 igr2=  93,  94,
 &end
#
#    5 GLN  HB+           5 GLN  HG+         3.00    (#   3201:20  Unique         2.26, 2.76 A)
 &rst
  ixpk= 3201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  90,  91,
 igr2=  93,  94,
 &end
#
#    5 GLN  HB-           5 GLN  HG+         3.00    (#   3202:20  Unique         2.26, 2.76 A)
 &rst
  ixpk= 3202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  90,  91,
 igr2=  93,  94,
 &end
#
#    0 AMB  20-2:3203     0 AMB  20-1:3203   4.00    (#   3203:20  Double Ambig)
 &rst
  ixpk= 3203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=  69,  70,  25,  26,
 igr2=  93,  94,  93,  94,
 &end
#
#    2 LYS  HG-           5 GLN  HG+         4.00    (#   3204:20  Unique         2.05, 4.72 A)
 &rst
  ixpk= 3204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  28,  29,
 igr2=  93,  94,
 &end
#
#  124 ARG  HB-         125 HIS  HB+         6.00    (#   3217:20  Unique         3.36, 4.25 A)
 &rst
  ixpk= 3217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1963,1964,
 igr2=1987,1988,
 &end
#
#  139 ARG  HB+         125 HIS  HB+         6.00    (#   3218:20  Unique         4.82, 6.49 A)
 &rst
  ixpk= 3218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2195,2196,
 igr2=1987,1988,
 &end
#
#   62 LEU  HB+          31 PRO  HB+         6.00    (#   3243:20  Unique         2.87, 4.69 A)
 &rst
  ixpk= 3243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1012,1013,
 igr2= 504, 505,
 &end
#
#   62 LEU  MDX          31 PRO  HB-         3.00    (#   3256:20  Unique         2.66, 5.92 A)
 &rst
  ixpk= 3256, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1017,1018,1019,1021,1022,1023,
 igr2= 504, 505,
 &end
#
#  118 ASP  HA           31 PRO  HB-         3.00    (#   3268:20  Unique         2.06, 3.09 A)
 &rst
  ixpk= 3268, nxpk= 20, iat=1870,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 504, 505,
 &end
#
#    0 AMB  20-2:3270    31 PRO  HB-         4.00    (#   3270:20  Single Ambig)
 &rst
  ixpk= 3270, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 igr2= 504, 505,
 &end
#
#    0 AMB  20-2:3271    31 PRO  HB-         5.00    (#   3271:20  Single Ambig)
 &rst
  ixpk= 3271, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1882, 498, 499,
 igr2= 504, 505,
 &end
#
#    0 AMB  20-2:3272    59 GLN  HG-         4.00    (#   3272:20  Single Ambig)
 &rst
  ixpk= 3272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 983, 984, 983, 984,
 igr2= 969, 970,
 &end
#
#   59 GLN  HB-          59 GLN  HG-         3.00    (#   3273:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 3273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 966, 967,
 igr2= 969, 970,
 &end
#
#  104 ASP  HB+         107 GLU  HG-         6.00    (#   3277:20  Unique         6.42, 7.56 A)
 &rst
  ixpk= 3277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1647,1648,
 igr2=1692,1693,
 &end
#
#    0 AMB  20-2:3278   116 VAL  HB          5.00    (#   3278:20  Single Ambig)
 &rst
  ixpk= 3278, nxpk= 20, iat=  -1,1836, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,2144,2145,2146,2148,
      2149,2150,
 &end
#
#   29 GLU  HG-          29 GLU  HB+         3.00    (#   3281:20  Unique         2.27, 2.75 A)
 &rst
  ixpk= 3281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 467, 468,
 igr2= 464, 465,
 &end
#
#   30 LYS  HD+          29 GLU  HB+         5.00    (#   3283:20  Unique         2.86, 5.22 A)
 &rst
  ixpk= 3283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 485, 486,
 igr2= 464, 465,
 &end
#
#    0 AMB  20-2:3284     0 AMB  20-1:3284   4.00    (#   3284:20  Double Ambig)
 &rst
  ixpk= 3284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 482, 483, 485, 486,
 igr2= 464, 465, 464, 465,
 &end
#
#   29 GLU  HA           29 GLU  HB+         3.00    (#   3285:20  Unique         2.36, 2.71 A)
 &rst
  ixpk= 3285, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 464, 465,
 &end
#
#   29 GLU  HA           29 GLU  HB-         3.00    (#   3286:20  Unique         2.36, 2.71 A)
 &rst
  ixpk= 3286, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 464, 465,
 &end
#
#    0 AMB  20-2:3288     0 AMB  20-1:3288   5.00    (#   3288:20  Double Ambig)
 &rst
  ixpk= 3288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1852,1853,2235,2236,
 igr2= 504, 505, 995, 996,
 &end
#
#    0 AMB  20-2:3289    29 GLU  HB-         3.00    (#   3289:20  Single Ambig)
 &rst
  ixpk= 3289, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 482, 483, 485, 486,
 igr2= 464, 465,
 &end
#
#   59 GLN  HA           59 GLN  HG-         4.00    (#   3292:20  Unique         2.75, 3.72 A)
 &rst
  ixpk= 3292, nxpk= 20, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 969, 970,
 &end
#
#   59 GLN  HA           59 GLN  HG+         4.00    (#   3294:20  Unique         2.75, 3.72 A)
 &rst
  ixpk= 3294, nxpk= 20, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 969, 970,
 &end
#
#   59 GLN  HB-          59 GLN  HG+         3.00    (#   3295:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 3295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 966, 967,
 igr2= 969, 970,
 &end
#
#  125 HIS  HB-         116 VAL  HB          5.00    (#   3299:20  Unique         2.92, 4.13 A)
 &rst
  ixpk= 3299, nxpk= 20, iat=  -1,1836, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1987,1988,
 &end
#
#    0 AMB  20-2:3300   116 VAL  HB          3.00    (#   3300:20  Single Ambig)
 &rst
  ixpk= 3300, nxpk= 20, iat=  -1,1836, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#    0 AMB  20-2:3301   116 VAL  HB          6.00    (#   3301:20  Single Ambig)
 &rst
  ixpk= 3301, nxpk= 20, iat=  -1,1836, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1949,1950,1951,1953,1954,1955,2144,2145,2146,2148,
      2149,2150,
 &end
#
#   67 VAL  HA           67 VAL  HB          6.00    (#   3306:20  Unique         2.54, 2.97 A)
 &rst
  ixpk= 3306, nxpk= 20, iat=1085,1087, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 VAL  MGY          67 VAL  HB          4.00    (#   3307:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3307, nxpk= 20, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   67 VAL  MGX          67 VAL  HB          4.00    (#   3308:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3308, nxpk= 20, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   56 ASP  HA           59 GLN  HG+         4.00    (#   3311:20  Unique         2.43, 4.15 A)
 &rst
  ixpk= 3311, nxpk= 20, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 969, 970,
 &end
#
#  144 LEU  MDX          61 GLN  HB-         3.00    (#   3322:20  Unique         1.96, 4.07 A)
 &rst
  ixpk= 3322, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2= 995, 996,
 &end
#
#    0 AMB  20-2:3323     0 AMB  20-1:3323   5.00    (#   3323:20  Double Ambig)
 &rst
  ixpk= 3323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=2294,2295,2296,2298,2299,2300,2144,2145,2146,2148,
      2149,2150,
 igr2= 995, 996,2024,2025,
 &end
#
#  127 GLN  HA          127 GLN  HB-         6.00    (#   3324:20  Unique         2.45, 2.84 A)
 &rst
  ixpk= 3324, nxpk= 20, iat=2022,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2024,2025,
 &end
#
#  144 LEU  MDX          61 GLN  HB+         4.00    (#   3333:20  Unique         1.96, 4.07 A)
 &rst
  ixpk= 3333, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2= 995, 996,
 &end
#
#   30 LYS  HB-          61 GLN  HB+         6.00    (#   3334:20  Unique         5.06, 6.29 A)
 &rst
  ixpk= 3334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 479, 480,
 igr2= 995, 996,
 &end
#
#    0 AMB  20-2:3352     0 AMB  20-1:3352   5.00    (#   3352:20  Double Ambig)
 &rst
  ixpk= 3352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1480,1481,1480,1481,
 igr2=1486,1487,1486,1487,
 &end
#
#   65 VAL  HB           93 PRO  HB+         5.00    (#   3353:20  Unique         3.52, 4.60 A)
 &rst
  ixpk= 3353, nxpk= 20, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1486,1487,
 &end
#
#    0 AMB  20-2:3354     0 AMB  20-1:3354   4.00    (#   3354:20  Double Ambig)
 &rst
  ixpk= 3354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1063,1064,1065,1067,1068,1069,1063,1064,1065,1067,
      1068,1069,
 igr2=1486,1487,1486,1487,
 &end
#
#    0 AMB  20-2:3355     0 AMB  20-1:3355   5.00    (#   3355:20  Double Ambig)
 &rst
  ixpk= 3355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 335, 336, 337, 339, 340, 341, 335, 336, 337, 339,
       340, 341,
 igr2=1486,1487,1486,1487,
 &end
#
#   21 VAL  HA           93 PRO  HB+         6.00    (#   3356:20  Unique         4.81, 5.53 A)
 &rst
  ixpk= 3356, nxpk= 20, iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1486,1487,
 &end
#
#   61 GLN  HA           61 GLN  HB+         3.00    (#   3357:20  Unique         2.42, 2.80 A)
 &rst
  ixpk= 3357, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 995, 996,
 &end
#
#   17 LEU  MDY          82 LYS  HB+         3.00    (#   3371:20  Unique         1.96, 4.66 A)
 &rst
  ixpk= 3371, 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=1318,1319,
 &end
#
#   65 VAL  HB           93 PRO  HB+         4.00    (#   3394:20  Unique         3.52, 4.60 A)
 &rst
  ixpk= 3394, nxpk= 20, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1486,1487,
 &end
#
#   48 MET  ME           48 MET  HG-         5.00    (#   3397:20  Unique         2.07, 3.52 A)
 &rst
  ixpk= 3397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 781, 782, 783,
 igr2= 777, 778,
 &end
#
#    0 AMB  20-2:3398    48 MET  HG-         6.00    (#   3398:20  Single Ambig)
 &rst
  ixpk= 3398, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 788, 789,1431,
 igr2= 777, 778,
 &end
#
#    5 GLN  HA            6 PRO  HB+         5.00    (#   3401:20  Unique         5.10, 5.45 A)
 &rst
  ixpk= 3401, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 110, 111,
 &end
#
#   82 LYS  HD+          82 LYS  HB+         3.00    (#   3402:20  Unique         2.01, 3.26 A)
 &rst
  ixpk= 3402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1324,1325,
 igr2=1318,1319,
 &end
#
#    0 AMB  20-2:3403     0 AMB  20-1:3403   3.00    (#   3403:20  Double Ambig)
 &rst
  ixpk= 3403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1321,1322, 281,
 igr2=1318,1319,1318,1319,
 &end
#
#   82 LYS  HA           82 LYS  HB-         3.00    (#   3405:20  Unique         2.38, 2.79 A)
 &rst
  ixpk= 3405, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1318,1319,
 &end
#
#   57 LYS  HA           57 LYS  HB-         3.00    (#   3410:20  Unique         2.56, 2.84 A)
 &rst
  ixpk= 3410, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 923, 924,
 &end
#
#   57 LYS  HG-          57 LYS  HB-         4.00    (#   3412:20  Unique         2.26, 2.74 A)
 &rst
  ixpk= 3412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 926, 927,
 igr2= 923, 924,
 &end
#
#   54 PHE  HA           57 LYS  HB+         5.00    (#   3416:20  Unique         1.80, 2.63 A)
 &rst
  ixpk= 3416, nxpk= 20, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 923, 924,
 &end
#
#   57 LYS  HA           57 LYS  HB+         4.00    (#   3417:20  Unique         2.56, 2.84 A)
 &rst
  ixpk= 3417, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 923, 924,
 &end
#
#   57 LYS  HE-          57 LYS  HB+         5.00    (#   3418:20  Unique         2.00, 3.62 A)
 &rst
  ixpk= 3418, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 932, 933,
 igr2= 923, 924,
 &end
#
#   57 LYS  HG-          57 LYS  HB+         5.00    (#   3420:20  Unique         2.26, 2.74 A)
 &rst
  ixpk= 3420, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 926, 927,
 igr2= 923, 924,
 &end
#
#   33 LEU  MDY          35 HIS  HB+         6.00    (#   3429:20  Unique         1.96, 5.32 A)
 &rst
  ixpk= 3429, 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= 567, 568,
 &end
#
#    6 PRO  HD+           6 PRO  HB+         4.00    (#   3433:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 3433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 104, 105,
 igr2= 110, 111,
 &end
#
#    6 PRO  HD-           0 AMB  20-1:3434   4.00    (#   3434:20  Single Ambig)
 &rst
  ixpk= 3434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 104, 105,
 igr2= 110, 111, 141, 142,
 &end
#
#  122 GLN  HA            6 PRO  HB+         5.00    (#   3436:20  Unique         1.75, 2.73 A)
 &rst
  ixpk= 3436, nxpk= 20, iat=1925,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 110, 111,
 &end
#
#   82 LYS  HA           82 LYS  HB+         3.00    (#   3438:20  Unique         2.38, 2.79 A)
 &rst
  ixpk= 3438, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1318,1319,
 &end
#
#    0 AMB  20-2:3441     0 AMB  20-1:3441   4.00    (#   3441:20  Double Ambig)
 &rst
  ixpk= 3441, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1286,1287, 231, 232,
 igr2=1277,1278, 222, 223,
 &end
#
#    0 AMB  20-2:3442     0 AMB  20-1:3442   4.00    (#   3442:20  Double Ambig)
 &rst
  ixpk= 3442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 648, 649, 650,1538,1539,1540,1542,1543,1544,
 igr2=1277,1278, 222, 223,
 &end
#
#   80 LYS  HA           80 LYS  HB-         3.00    (#   3443:20  Unique         2.27, 2.74 A)
 &rst
  ixpk= 3443, nxpk= 20, iat=1275,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1277,1278,
 &end
#
#   77 ASP  HB+          80 LYS  HB-         4.00    (#   3444:20  Unique         2.07, 4.33 A)
 &rst
  ixpk= 3444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1244,1245,
 igr2=1277,1278,
 &end
#
#    0 AMB  20-2:3445     0 AMB  20-1:3445   3.00    (#   3445:20  Double Ambig)
 &rst
  ixpk= 3445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1280,1281,2176,2177,
 igr2=1277,1278,2173,2174,
 &end
#
#    6 PRO  HD-           0 AMB  20-1:3448   5.00    (#   3448:20  Single Ambig)
 &rst
  ixpk= 3448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 104, 105,
 igr2= 110, 111, 141, 142,
 &end
#
#   57 LYS  HE-          57 LYS  HB-         4.00    (#   3449:20  Unique         2.00, 3.62 A)
 &rst
  ixpk= 3449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 932, 933,
 igr2= 923, 924,
 &end
#
#    0 AMB  20-2:3451     0 AMB  20-1:3451   3.00    (#   3451:20  Double Ambig)
 &rst
  ixpk= 3451, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 152, 153,   8,   9, 207, 208,2161,2162,1944,1945,
      
 igr2= 141, 142, 141, 142, 222, 223, 923, 924, 110, 111,
      
 &end
#
#   57 LYS  HG+          57 LYS  HB-         4.00    (#   3452:20  Unique         2.26, 2.74 A)
 &rst
  ixpk= 3452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 926, 927,
 igr2= 923, 924,
 &end
#
#  104 ASP  HB-           8 PRO  HB+         6.00    (#   3453:20  Unique         5.89, 7.66 A)
 &rst
  ixpk= 3453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1647,1648,
 igr2= 141, 142,
 &end
#
#    0 AMB  20-2:3459     0 AMB  20-1:3459   6.00    (#   3459:20  Double Ambig)
 &rst
  ixpk= 3459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 855, 856,2158,2159,
 igr2= 923, 924, 923, 924,
 &end
#
#   57 LYS  HG+          57 LYS  HB+         4.00    (#   3460:20  Unique         2.26, 2.74 A)
 &rst
  ixpk= 3460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 926, 927,
 igr2= 923, 924,
 &end
#
#  114 TYR  HB-          35 HIS  HB+         6.00    (#   3466:20  Unique         1.95, 3.58 A)
 &rst
  ixpk= 3466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1794,1795,
 igr2= 567, 568,
 &end
#
#    0 AMB  20-2:3467     0 AMB  20-1:3467   6.00    (#   3467:20  Double Ambig)
 &rst
  ixpk= 3467, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=2083,2084,1773,1774,
 igr2= 567, 568, 567, 568,
 &end
#
#    0 AMB  20-2:3474    92 GLN  HG-         6.00    (#   3474:20  Single Ambig)
 &rst
  ixpk= 3474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 890, 891, 887, 888,1433,
 igr2=1469,1470,
 &end
#
#    5 GLN  HA            0 AMB  20-1:3475   6.00    (#   3475:20  Single Ambig)
 &rst
  ixpk= 3475, nxpk= 20, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 141, 142, 110, 111,
 &end
#
#    8 PRO  HD+           8 PRO  HB-         6.00    (#   3476:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 3476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 135, 136,
 igr2= 141, 142,
 &end
#
#    8 PRO  HG-           8 PRO  HB-         3.00    (#   3477:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 3477, 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  20-2:3484   138 LYS  HB-         5.00    (#   3484:20  Single Ambig)
 &rst
  ixpk= 3484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2201,2202,2235,2236,
 igr2=2173,2174,
 &end
#
#    0 AMB  20-2:3485     0 AMB  20-1:3485   3.00    (#   3485:20  Double Ambig)
 &rst
  ixpk= 3485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1280,1281,2176,2177, 730, 731,
 igr2=1277,1278,2173,2174, 727, 728,
 &end
#
#    8 PRO  HA            8 PRO  HB+         3.00    (#   3487:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 3487, nxpk= 20, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 141, 142,
 &end
#
#    0 AMB  20-2:3489     0 AMB  20-1:3489   4.00    (#   3489:20  Double Ambig)
 &rst
  ixpk= 3489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 507,  88,
 igr2=1884,1885, 141, 142,
 &end
#
#    9 GLU  HG+           8 PRO  HB+         4.00    (#   3490:20  Unique         3.06, 5.06 A)
 &rst
  ixpk= 3490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 155, 156,
 igr2= 141, 142,
 &end
#
#    0 AMB  20-2:3493     0 AMB  20-1:3493   4.00    (#   3493:20  Double Ambig)
 &rst
  ixpk= 3493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1431, 104, 105,
 igr2=1469,1470, 110, 111,
 &end
#
#   81 ILE  QD1          78 PRO  HB+         6.00    (#   3496:20  Unique         3.59, 5.44 A)
 &rst
  ixpk= 3496, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1308,1309,1310,
 igr2=1259,1260,
 &end
#
#   78 PRO  HD-          78 PRO  HB+         3.00    (#   3497:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 3497, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1253,1254,
 igr2=1259,1260,
 &end
#
#  138 LYS  HA          138 LYS  HB-         3.00    (#   3498:20  Unique         2.23, 2.60 A)
 &rst
  ixpk= 3498, nxpk= 20, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2173,2174,
 &end
#
#    0 AMB  20-2:3499     0 AMB  20-1:3499   3.00    (#   3499:20  Double Ambig)
 &rst
  ixpk= 3499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 678,1355,
 igr2= 727, 728,1277,1278,
 &end
#
#  138 LYS  HA          138 LYS  HB+         4.00    (#   3500:20  Unique         2.23, 2.60 A)
 &rst
  ixpk= 3500, nxpk= 20, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2173,2174,
 &end
#
#   45 LYS  HA           45 LYS  HB+         3.00    (#   3501:20  Unique         2.32, 2.70 A)
 &rst
  ixpk= 3501, nxpk= 20, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 727, 728,
 &end
#
#   10 LEU  MDX           8 PRO  HB+         6.00    (#   3503:20  Unique         4.67, 6.99 A)
 &rst
  ixpk= 3503, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 172, 173, 174, 176, 177, 178,
 igr2= 141, 142,
 &end
#
#    0 AMB  20-2:3504     0 AMB  20-1:3504   3.00    (#   3504:20  Double Ambig)
 &rst
  ixpk= 3504, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 138, 139,1614,1615,
 igr2= 141, 142, 141, 142,
 &end
#
#    0 AMB  20-2:3505   119 LYS  HB-         4.00    (#   3505:20  Single Ambig)
 &rst
  ixpk= 3505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1882, 498, 499,
 igr2=1884,1885,
 &end
#
#    0 AMB  20-2:3507     0 AMB  20-1:3507   4.00    (#   3507:20  Double Ambig)
 &rst
  ixpk= 3507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1882, 498, 499,
 igr2=1884,1885,1884,1885,
 &end
#
#    0 AMB  20-2:3508     0 AMB  20-1:3508   3.00    (#   3508:20  Double Ambig)
 &rst
  ixpk= 3508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1890,1891,1887,1888,
 igr2=1884,1885,1884,1885,
 &end
#
#  114 TYR  HB+          35 HIS  HB+         5.00    (#   3514:20  Unique         1.95, 3.58 A)
 &rst
  ixpk= 3514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1794,1795,
 igr2= 567, 568,
 &end
#
#   90 ILE  HA           92 GLN  HG-         6.00    (#   3516:20  Unique         3.48, 4.84 A)
 &rst
  ixpk= 3516, nxpk= 20, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1469,1470,
 &end
#
#   78 PRO  HD+          78 PRO  HB-         3.00    (#   3524:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 3524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1253,1254,
 igr2=1259,1260,
 &end
#
#    8 PRO  HD+           8 PRO  HB-         6.00    (#   3526:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 3526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 135, 136,
 igr2= 141, 142,
 &end
#
#    0 AMB  20-2:3528     8 PRO  HB-         4.00    (#   3528:20  Single Ambig)
 &rst
  ixpk= 3528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 138, 139,1614,1615,
 igr2= 141, 142,
 &end
#
#   78 PRO  HA           78 PRO  HB-         3.00    (#   3530:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 3530, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1259,1260,
 &end
#
#   78 PRO  HG-          78 PRO  HB-         3.00    (#   3531:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 3531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1256,1257,
 igr2=1259,1260,
 &end
#
#   78 PRO  HD+          78 PRO  HB+         3.00    (#   3533:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 3533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1253,1254,
 igr2=1259,1260,
 &end
#
#   78 PRO  HA           78 PRO  HB+         3.00    (#   3534:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 3534, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1259,1260,
 &end
#
#   48 MET  HB+          45 LYS  HB+         4.00    (#   3538:20  Unique         3.77, 5.02 A)
 &rst
  ixpk= 3538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 774, 775,
 igr2= 727, 728,
 &end
#
#   27 ILE  QG2         119 LYS  HB-         6.00    (#   3540:20  Unique         3.76, 5.51 A)
 &rst
  ixpk= 3540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 440, 441, 442,
 igr2=1884,1885,
 &end
#
#  109 GLU  HG-         109 GLU  HB-         3.00    (#   3541:20  Unique         2.28, 2.76 A)
 &rst
  ixpk= 3541, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1721,1722,
 igr2=1718,1719,
 &end
#
#  109 GLU  HA          109 GLU  HB-         3.00    (#   3542:20  Unique         2.52, 2.83 A)
 &rst
  ixpk= 3542, nxpk= 20, iat=1716,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1718,1719,
 &end
#
#  119 LYS  HG-         119 LYS  HB+         5.00    (#   3544:20  Unique         2.26, 2.73 A)
 &rst
  ixpk= 3544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1887,1888,
 igr2=1884,1885,
 &end
#
#   48 MET  HA          133 MET  HG-         6.00    (#   3552:20  Unique         5.93, 6.67 A)
 &rst
  ixpk= 3552, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2086,2087,
 &end
#
#    0 AMB  20-2:3554     0 AMB  20-1:3554   6.00    (#   3554:20  Double Ambig)
 &rst
  ixpk= 3554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=2074,2075,2056,2057,
 igr2=2086,2087,2122,2123,
 &end
#
#   65 VAL  HA           92 GLN  HG-         6.00    (#   3555:20  Unique         2.01, 4.12 A)
 &rst
  ixpk= 3555, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1469,1470,
 &end
#
#    0 AMB  20-2:3556    92 GLN  HG-         5.00    (#   3556:20  Single Ambig)
 &rst
  ixpk= 3556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 890, 891, 887, 888,1433,
 igr2=1469,1470,
 &end
#
#    0 AMB  20-2:3557     0 AMB  20-1:3557   6.00    (#   3557:20  Double Ambig)
 &rst
  ixpk= 3557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1=1047,1048,1049,1051,1052,1053,2139,2140,
 igr2=1469,1470,2122,2123,
 &end
#
#   90 ILE  HG1-         92 GLN  HG+         5.00    (#   3560:20  Unique         4.45, 6.55 A)
 &rst
  ixpk= 3560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1439,1440,
 igr2=1469,1470,
 &end
#
#   46 GLU  HG-          45 LYS  HB+         3.00    (#   3563:20  Unique         3.08, 4.61 A)
 &rst
  ixpk= 3563, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 752, 753,
 igr2= 727, 728,
 &end
#
#    0 AMB  20-2:3577     0 AMB  20-1:3577   3.00    (#   3577:20  Double Ambig)
 &rst
  ixpk= 3577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 805, 806,2083,2084,   8,   9,
 igr2=2086,2087,2086,2087,  11,  12,
 &end
#
#  133 MET  HB+         133 MET  HG+         3.00    (#   3579:20  Unique         2.27, 2.73 A)
 &rst
  ixpk= 3579, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2083,2084,
 igr2=2086,2087,
 &end
#
#    0 AMB  20-2:3580     0 AMB  20-1:3580   5.00    (#   3580:20  Double Ambig)
 &rst
  ixpk= 3580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
 igr1=2090,2091,2092,2106,2107,
 igr2=2086,2087,2122,2123,
 &end
#
#    0 AMB  20-2:3581     0 AMB  20-1:3581   6.00    (#   3581:20  Double Ambig)
 &rst
  ixpk= 3581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
 igr1=2106,2107,2176,2177,1439,1440,2198,2199,
 igr2=2122,2123,2122,2123,1469,1470,2122,2123,
 &end
#
#   90 ILE  QG2          92 GLN  HG+         6.00    (#   3582:20  Unique         2.00, 4.18 A)
 &rst
  ixpk= 3582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1435,1436,1437,
 igr2=1469,1470,
 &end
#
#    1 MET  ME            1 MET  HG-         4.00    (#   3591:20  Unique         2.03, 3.51 A)
 &rst
  ixpk= 3591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  15,  16,  17,
 igr2=  11,  12,
 &end
#
#    0 AMB  20-2:3592     1 MET  HG-         4.00    (#   3592:20  Single Ambig)
 &rst
  ixpk= 3592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1667,   6,
 igr2=  11,  12,
 &end
#
#  123 LEU  MDX           1 MET  HG-         5.00    (#   3593:20  Unique         2.19, 5.98 A)
 &rst
  ixpk= 3593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=  11,  12,
 &end
#
#    0 AMB  20-2:3595     0 AMB  20-1:3595   6.00    (#   3595:20  Double Ambig)
 &rst
  ixpk= 3595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=2195,2196,1614,1615,
 igr2=2122,2123,  11,  12,
 &end
#
#    0 AMB  20-2:3596   135 MET  HB-         4.00    (#   3596:20  Single Ambig)
 &rst
  ixpk= 3596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2120,2056,2057,
 igr2=2122,2123,
 &end
#
#    0 AMB  20-2:3597     0 AMB  20-1:3597   4.00    (#   3597:20  Double Ambig)
 &rst
  ixpk= 3597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1667,   6,
 igr2=  11,  12,  11,  12,
 &end
#
#    0 AMB  20-2:3600     0 AMB  20-1:3600   3.00    (#   3600:20  Double Ambig)
 &rst
  ixpk= 3600, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=2129,2130,2131,  90,  91,
 igr2=2122,2123,  11,  12,
 &end
#
#    0 AMB  20-2:3601   133 MET  HG-         4.00    (#   3601:20  Single Ambig)
 &rst
  ixpk= 3601, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 805, 806,2083,2084,
 igr2=2086,2087,
 &end
#
#    1 MET  ME            1 MET  HG+         4.00    (#   3602:20  Unique         2.03, 3.51 A)
 &rst
  ixpk= 3602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  15,  16,  17,
 igr2=  11,  12,
 &end
#
#  123 LEU  MDX           1 MET  HG+         5.00    (#   3603:20  Unique         2.19, 5.98 A)
 &rst
  ixpk= 3603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=  11,  12,
 &end
#
#    0 AMB  20-2:3604     0 AMB  20-1:3604   6.00    (#   3604:20  Double Ambig)
 &rst
  ixpk= 3604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=2144,2145,2146,2148,2149,2150,1949,1950,1951,1953,
      1954,1955,
 igr2=2086,2087,  11,  12,
 &end
#
#  136 LEU  MDY         133 MET  HG-         6.00    (#   3605:20  Unique         1.98, 6.35 A)
 &rst
  ixpk= 3605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=2086,2087,
 &end
#
#  135 MET  HA          135 MET  HB+         4.00    (#   3606:20  Unique         2.34, 2.76 A)
 &rst
  ixpk= 3606, nxpk= 20, iat=2120,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2122,2123,
 &end
#
#  143 VAL  HA          143 VAL  HB          3.00    (#   3608:20  Unique         2.73, 2.87 A)
 &rst
  ixpk= 3608, nxpk= 20, iat=2271,2273, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  140 VAL  HA          143 VAL  HB          4.00    (#   3609:20  Unique         2.65, 2.95 A)
 &rst
  ixpk= 3609, nxpk= 20, iat=2217,2273, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  116 VAL  MGY         143 VAL  HB          3.00    (#   3610:20  Unique         2.16, 4.08 A)
 &rst
  ixpk= 3610, nxpk= 20, iat=  -1,2273, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1838,1839,1840,1842,1843,1844,
 &end
#
#  133 MET  ME          133 MET  HG+         6.00    (#   3618:20  Unique         2.52, 3.74 A)
 &rst
  ixpk= 3618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2090,2091,2092,
 igr2=2086,2087,
 &end
#
#    0 AMB  20-2:3619     0 AMB  20-1:3619   6.00    (#   3619:20  Double Ambig)
 &rst
  ixpk= 3619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=2106,2107,2176,2177,2198,2199,
 igr2=2122,2123,2122,2123,2122,2123,
 &end
#
#  135 MET  ME          135 MET  HB+         3.00    (#   3620:20  Unique         1.95, 3.55 A)
 &rst
  ixpk= 3620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2129,2130,2131,
 igr2=2122,2123,
 &end
#
#    0 AMB  20-2:3623   143 VAL  HB          3.00    (#   3623:20  Single Ambig)
 &rst
  ixpk= 3623, nxpk= 20, iat=  -1,2273, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#  140 VAL  MGY         143 VAL  HB          6.00    (#   3624:20  Unique         3.60, 5.39 A)
 &rst
  ixpk= 3624, nxpk= 20, iat=  -1,2273, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#   71 ARG  HG-          71 ARG  HB+         3.00    (#   3631:20  Unique         2.36, 2.76 A)
 &rst
  ixpk= 3631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1154,1155,
 igr2=1151,1152,
 &end
#
#  144 LEU  HA          148 GLU  HB-         4.00    (#   3640:20  Unique         3.43, 4.21 A)
 &rst
  ixpk= 3640, nxpk= 20, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2347,2348,
 &end
#
#   71 ARG  HA           71 ARG  HB-         4.00    (#   3642:20  Unique         2.70, 2.88 A)
 &rst
  ixpk= 3642, nxpk= 20, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1151,1152,
 &end
#
#   71 ARG  HD-          71 ARG  HB-         5.00    (#   3643:20  Unique         2.13, 2.94 A)
 &rst
  ixpk= 3643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1157,1158,
 igr2=1151,1152,
 &end
#
#  140 VAL  MGX         140 VAL  HB          3.00    (#   3646:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3646, nxpk= 20, iat=  -1,2219, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#  140 VAL  MGY         140 VAL  HB          3.00    (#   3647:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3647, nxpk= 20, iat=  -1,2219, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2221,2222,2223,2225,2226,2227,
 &end
#
#  137 GLU  HA          140 VAL  HB          5.00    (#   3649:20  Unique         2.92, 3.26 A)
 &rst
  ixpk= 3649, nxpk= 20, iat=2156,2219, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:3650   124 ARG  HB-         5.00    (#   3650:20  Single Ambig)
 &rst
  ixpk= 3650, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 igr2=1963,1964,
 &end
#
#   71 ARG  HD-          71 ARG  HB-         5.00    (#   3656:20  Unique         2.13, 2.94 A)
 &rst
  ixpk= 3656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1157,1158,
 igr2=1151,1152,
 &end
#
#  140 VAL  HA          140 VAL  HB          5.00    (#   3657:20  Unique         2.52, 2.89 A)
 &rst
  ixpk= 3657, nxpk= 20, iat=2217,2219, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  147 THR  HA          148 GLU  HB+         5.00    (#   3659:20  Unique         4.43, 5.27 A)
 &rst
  ixpk= 3659, nxpk= 20, iat=2331,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2347,2348,
 &end
#
#   71 ARG  HA           71 ARG  HB+         5.00    (#   3669:20  Unique         2.70, 2.88 A)
 &rst
  ixpk= 3669, nxpk= 20, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1151,1152,
 &end
#
#   71 ARG  HD-          71 ARG  HB+         5.00    (#   3670:20  Unique         2.13, 2.94 A)
 &rst
  ixpk= 3670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1157,1158,
 igr2=1151,1152,
 &end
#
#   49 PRO  HA           49 PRO  HB-         4.00    (#   3685:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 3685, nxpk= 20, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 794, 795,
 &end
#
#   49 PRO  HD+          49 PRO  HB-         6.00    (#   3686:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 3686, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 788, 789,
 igr2= 794, 795,
 &end
#
#   49 PRO  HD-          49 PRO  HB-         5.00    (#   3687:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 3687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 788, 789,
 igr2= 794, 795,
 &end
#
#  148 GLU  HG+         148 GLU  HB-         3.00    (#   3692:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 3692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2350,2351,
 igr2=2347,2348,
 &end
#
#   51 VAL  MGY          51 VAL  HB          3.00    (#   3694:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3694, nxpk= 20, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#   71 ARG  HA           69 MET  HG-         4.00    (#   3695:20  Unique         3.34, 4.00 A)
 &rst
  ixpk= 3695, nxpk= 20, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1123,1124,
 &end
#
#    0 AMB  20-2:3696    69 MET  HG-         3.00    (#   3696:20  Single Ambig)
 &rst
  ixpk= 3696, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1151,1152,1704,1705,1154,1155,
 igr2=1123,1124,
 &end
#
#  148 GLU  HG+         148 GLU  HB+         3.00    (#   3699:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 3699, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2350,2351,
 igr2=2347,2348,
 &end
#
#   20 GLU  HA           20 GLU  HB-         4.00    (#   3709:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 3709, nxpk= 20, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 318, 319,
 &end
#
#   20 GLU  HG-          20 GLU  HB-         5.00    (#   3710:20  Unique         2.27, 2.69 A)
 &rst
  ixpk= 3710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 321, 322,
 igr2= 318, 319,
 &end
#
#   20 GLU  HG+          20 GLU  HB-         5.00    (#   3711:20  Unique         2.27, 2.69 A)
 &rst
  ixpk= 3711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 321, 322,
 igr2= 318, 319,
 &end
#
#   20 GLU  HG-          20 GLU  HB-         4.00    (#   3712:20  Unique         2.27, 2.69 A)
 &rst
  ixpk= 3712, 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+         5.00    (#   3713:20  Unique         2.27, 2.69 A)
 &rst
  ixpk= 3713, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 321, 322,
 igr2= 318, 319,
 &end
#
#   51 VAL  HA           51 VAL  HB          5.00    (#   3723:20  Unique         2.69, 2.81 A)
 &rst
  ixpk= 3723, nxpk= 20, iat= 820, 822, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 MET  HA           51 VAL  HB          3.00    (#   3724:20  Unique         2.72, 3.00 A)
 &rst
  ixpk= 3724, nxpk= 20, iat= 772, 822, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   51 VAL  MGX          51 VAL  HB          4.00    (#   3725:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 3725, nxpk= 20, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 824, 825, 826, 828, 829, 830,
 &end
#
#   51 VAL  HA           51 VAL  HB          5.00    (#   3726:20  Unique         2.69, 2.81 A)
 &rst
  ixpk= 3726, nxpk= 20, iat= 820, 822, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 PRO  HA           49 PRO  HB+         3.00    (#   3730:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 3730, nxpk= 20, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 794, 795,
 &end
#
#   20 GLU  HA           20 GLU  HB+         4.00    (#   3737:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 3737, nxpk= 20, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 318, 319,
 &end
#
#   70 PRO  HD-          69 MET  HG+         5.00    (#   3741:20  Unique         2.60, 4.18 A)
 &rst
  ixpk= 3741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1134,1135,
 igr2=1123,1124,
 &end
#
#    0 AMB  20-2:3743     0 AMB  20-1:3743   3.00    (#   3743:20  Double Ambig)
 &rst
  ixpk= 3743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1127,1128,1129,1120,1121,
 igr2=1123,1124,1123,1124,
 &end
#
#   70 PRO  HD-          69 MET  HG-         5.00    (#   3747:20  Unique         2.60, 4.18 A)
 &rst
  ixpk= 3747, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1134,1135,
 igr2=1123,1124,
 &end
#
#  103 THR  MG2          69 MET  HG+         6.00    (#   3758:20  Unique         4.45, 7.62 A)
 &rst
  ixpk= 3758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1635,1636,1637,
 igr2=1123,1124,
 &end
#
#   57 LYS  HE-          55 ARG  HB-         6.00    (#   3759:20  Unique         6.36, 7.54 A)
 &rst
  ixpk= 3759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 932, 933,
 igr2= 887, 888,
 &end
#
#    4 ARG  HA          122 GLN  HB-         5.00    (#   3760:20  Unique         2.97, 4.88 A)
 &rst
  ixpk= 3760, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1927,1928,
 &end
#
#  122 GLN  HA          122 GLN  HB-         4.00    (#   3761:20  Unique         2.26, 2.69 A)
 &rst
  ixpk= 3761, nxpk= 20, iat=1925,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1927,1928,
 &end
#
#    4 ARG  HA          122 GLN  HB+         5.00    (#   3763:20  Unique         2.97, 4.88 A)
 &rst
  ixpk= 3763, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1927,1928,
 &end
#
#  122 GLN  HG-         122 GLN  HB+         3.00    (#   3764:20  Unique         2.30, 2.77 A)
 &rst
  ixpk= 3764, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1930,1931,
 igr2=1927,1928,
 &end
#
#   52 ASN  HA           55 ARG  HB-         6.00    (#   3768:20  Unique         2.06, 3.34 A)
 &rst
  ixpk= 3768, nxpk= 20, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 887, 888,
 &end
#
#   22 THR  HB           23 ARG  HB+         6.00    (#   3773:20  Unique         4.23, 5.40 A)
 &rst
  ixpk= 3773, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 363, 364,
 &end
#
#   10 LEU  MDX          23 ARG  HB+         6.00    (#   3775:20  Unique         1.98, 5.05 A)
 &rst
  ixpk= 3775, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 172, 173, 174, 176, 177, 178,
 igr2= 363, 364,
 &end
#
#    0 AMB  20-2:3776     0 AMB  20-1:3776   6.00    (#   3776:20  Double Ambig)
 &rst
  ixpk= 3776, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 447, 448, 449, 424, 425, 426, 428, 429, 430,
 igr2= 363, 364, 363, 364,
 &end
#
#   52 ASN  HA           55 ARG  HB+         6.00    (#   3777:20  Unique         2.06, 3.34 A)
 &rst
  ixpk= 3777, nxpk= 20, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 887, 888,
 &end
#
#  122 GLN  HA          122 GLN  HB+         4.00    (#   3778:20  Unique         2.26, 2.69 A)
 &rst
  ixpk= 3778, nxpk= 20, iat=1925,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1927,1928,
 &end
#
#   55 ARG  HA           55 ARG  HB-         6.00    (#   3782:20  Unique         2.33, 2.79 A)
 &rst
  ixpk= 3782, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 887, 888,
 &end
#
#   55 ARG  HA           55 ARG  HB-         6.00    (#   3783:20  Unique         2.33, 2.79 A)
 &rst
  ixpk= 3783, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 887, 888,
 &end
#
#   54 PHE  HB+          55 ARG  HB+         6.00    (#   3786:20  Unique         4.12, 5.63 A)
 &rst
  ixpk= 3786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 867, 868,
 igr2= 887, 888,
 &end
#
#   88 HIS  HA           88 HIS  HB-         4.00    (#   3790:20  Unique         2.30, 2.76 A)
 &rst
  ixpk= 3790, nxpk= 20, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1404,1405,
 &end
#
#    0 AMB  20-2:3801     9 GLU  HB-         3.00    (#   3801:20  Single Ambig)
 &rst
  ixpk= 3801, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 155, 156, 141, 142,
 igr2= 152, 153,
 &end
#
#    8 PRO  HA            9 GLU  HB+         6.00    (#   3808:20  Unique         4.52, 5.42 A)
 &rst
  ixpk= 3808, nxpk= 20, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 152, 153,
 &end
#
#   23 ARG  HA           23 ARG  HB+         3.00    (#   3809:20  Unique         2.34, 2.51 A)
 &rst
  ixpk= 3809, nxpk= 20, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 363, 364,
 &end
#
#   22 THR  HB           23 ARG  HB+         6.00    (#   3810:20  Unique         4.23, 5.40 A)
 &rst
  ixpk= 3810, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 363, 364,
 &end
#
#   10 LEU  MDX          23 ARG  HB+         6.00    (#   3813:20  Unique         1.98, 5.05 A)
 &rst
  ixpk= 3813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 172, 173, 174, 176, 177, 178,
 igr2= 363, 364,
 &end
#
#   88 HIS  HA           88 HIS  HB+         5.00    (#   3817:20  Unique         2.30, 2.76 A)
 &rst
  ixpk= 3817, nxpk= 20, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1404,1405,
 &end
#
#   52 ASN  HA           55 ARG  HB-         6.00    (#   3818:20  Unique         2.06, 3.34 A)
 &rst
  ixpk= 3818, nxpk= 20, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 887, 888,
 &end
#
#    9 GLU  HG-           9 GLU  HB+         3.00    (#   3823:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 3823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 155, 156,
 igr2= 152, 153,
 &end
#
#   42 HIS  HA           42 HIS  HB+         4.00    (#   3828:20  Unique         2.22, 2.66 A)
 &rst
  ixpk= 3828, nxpk= 20, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 680, 681,
 &end
#
#   85 ALA  HA           88 HIS  HB-         6.00    (#   3829:20  Unique         1.98, 3.21 A)
 &rst
  ixpk= 3829, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1404,1405,
 &end
#
#   15 ALA  MB           68 HIS  HB+         5.00    (#   3837:20  Unique         5.71, 7.17 A)
 &rst
  ixpk= 3837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 244, 245, 246,
 igr2=1103,1104,
 &end
#
#   99 ASP  HB-          13 GLU  HB-         6.00    (#   3840:20  Unique         3.68, 6.75 A)
 &rst
  ixpk= 3840, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1575,1576,
 igr2= 207, 208,
 &end
#
#    9 GLU  HA            9 GLU  HB-         3.00    (#   3842:20  Unique         2.34, 2.63 A)
 &rst
  ixpk= 3842, nxpk= 20, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 152, 153,
 &end
#
#   11 THR  MG2           9 GLU  HB-         4.00    (#   3843:20  Unique         2.02, 4.66 A)
 &rst
  ixpk= 3843, 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
#
#   11 THR  MG2           9 GLU  HB+         4.00    (#   3846:20  Unique         2.02, 4.66 A)
 &rst
  ixpk= 3846, 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
#
#   29 GLU  HA          119 LYS  HD+         4.00    (#   3848:20  Unique         1.99, 2.65 A)
 &rst
  ixpk= 3848, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1890,1891,
 &end
#
#  119 LYS  HE+         119 LYS  HD-         3.00    (#   3849:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 3849, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1893,1894,
 igr2=1890,1891,
 &end
#
#    0 AMB  20-2:3858    42 HIS  HB-         5.00    (#   3858:20  Single Ambig)
 &rst
  ixpk= 3858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 697, 698, 727, 728,1770,1771,
 igr2= 680, 681,
 &end
#
#   42 HIS  HA           42 HIS  HB-         4.00    (#   3859:20  Unique         2.22, 2.66 A)
 &rst
  ixpk= 3859, nxpk= 20, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 680, 681,
 &end
#
#    0 AMB  20-2:3862     0 AMB  20-1:3862   5.00    (#   3862:20  Double Ambig)
 &rst
  ixpk= 3862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 697, 698, 727, 728,1770,1771,
 igr2= 680, 681, 680, 681, 680, 681,
 &end
#
#   96 VAL  HA           68 HIS  HB-         5.00    (#   3867:20  Unique         1.99, 3.59 A)
 &rst
  ixpk= 3867, nxpk= 20, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1103,1104,
 &end
#
#   96 VAL  MGY          68 HIS  HB+         3.00    (#   3875:20  Unique         1.96, 4.17 A)
 &rst
  ixpk= 3875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1538,1539,1540,1542,1543,1544,
 igr2=1103,1104,
 &end
#
#   83 GLU  HA           83 GLU  HB-         3.00    (#   3876:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 3876, nxpk= 20, iat=1338,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1340,1341,
 &end
#
#   83 GLU  HG-          83 GLU  HB-         3.00    (#   3877:20  Unique         2.27, 2.70 A)
 &rst
  ixpk= 3877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1343,1344,
 igr2=1340,1341,
 &end
#
#    0 AMB  20-2:3879     0 AMB  20-1:3879   3.00    (#   3879:20  Double Ambig)
 &rst
  ixpk= 3879, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2252,2253,2252,2253,
 igr2=2249,2250,2249,2250,
 &end
#
#    0 AMB  20-2:3880     0 AMB  20-1:3880   4.00    (#   3880:20  Double Ambig)
 &rst
  ixpk= 3880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=2195,2196,2308,2309,2310,
 igr2=2249,2250,2249,2250,
 &end
#
#  142 ARG  HD+         142 ARG  HB+         4.00    (#   3881:20  Unique         2.24, 3.36 A)
 &rst
  ixpk= 3881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2255,2256,
 igr2=2249,2250,
 &end
#
#  139 ARG  HD-         142 ARG  HB+         5.00    (#   3882:20  Unique         2.74, 4.08 A)
 &rst
  ixpk= 3882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2201,2202,
 igr2=2249,2250,
 &end
#
#    8 PRO  HA            9 GLU  HB+         6.00    (#   3887:20  Unique         4.52, 5.42 A)
 &rst
  ixpk= 3887, nxpk= 20, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 152, 153,
 &end
#
#    8 PRO  HD-           9 GLU  HB+         6.00    (#   3888:20  Unique         4.67, 6.54 A)
 &rst
  ixpk= 3888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 135, 136,
 igr2= 152, 153,
 &end
#
#    0 AMB  20-2:3891     0 AMB  20-1:3891   6.00    (#   3891:20  Double Ambig)
 &rst
  ixpk= 3891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1882,2345,
 igr2=1890,1891,1890,1891,
 &end
#
#  119 LYS  HE+         119 LYS  HD+         3.00    (#   3892:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 3892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1893,1894,
 igr2=1890,1891,
 &end
#
#  119 LYS  HG-         119 LYS  HD+         3.00    (#   3893:20  Unique         2.27, 2.74 A)
 &rst
  ixpk= 3893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1887,1888,
 igr2=1890,1891,
 &end
#
#    0 AMB  20-2:3894   119 LYS  HD-         6.00    (#   3894:20  Single Ambig)
 &rst
  ixpk= 3894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1882,2345,
 igr2=1890,1891,
 &end
#
#   29 GLU  HA          119 LYS  HD-         5.00    (#   3895:20  Unique         1.99, 2.65 A)
 &rst
  ixpk= 3895, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1890,1891,
 &end
#
#  119 LYS  HG-         119 LYS  HD-         4.00    (#   3896:20  Unique         2.27, 2.74 A)
 &rst
  ixpk= 3896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1887,1888,
 igr2=1890,1891,
 &end
#
#   57 LYS  HA           57 LYS  HD-         5.00    (#   3898:20  Unique         2.09, 4.08 A)
 &rst
  ixpk= 3898, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 929, 930,
 &end
#
#   57 LYS  HE-          57 LYS  HD-         4.00    (#   3899:20  Unique         2.27, 2.71 A)
 &rst
  ixpk= 3899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 932, 933,
 igr2= 929, 930,
 &end
#
#   53 GLU  HG-          57 LYS  HD-         5.00    (#   3900:20  Unique         2.26, 4.84 A)
 &rst
  ixpk= 3900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 855, 856,
 igr2= 929, 930,
 &end
#
#   57 LYS  HG-          57 LYS  HD-         3.00    (#   3901:20  Unique         2.28, 2.68 A)
 &rst
  ixpk= 3901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 926, 927,
 igr2= 929, 930,
 &end
#
#   57 LYS  HG+          57 LYS  HD-         4.00    (#   3902:20  Unique         2.28, 2.68 A)
 &rst
  ixpk= 3902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 926, 927,
 igr2= 929, 930,
 &end
#
#   57 LYS  HE-          57 LYS  HD+         4.00    (#   3905:20  Unique         2.27, 2.71 A)
 &rst
  ixpk= 3905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 932, 933,
 igr2= 929, 930,
 &end
#
#   45 LYS  HD+          42 HIS  HB-         6.00    (#   3912:20  Unique         5.55, 7.04 A)
 &rst
  ixpk= 3912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 733, 734,
 igr2= 680, 681,
 &end
#
#   68 HIS  HA           68 HIS  HB-         5.00    (#   3929:20  Unique         2.24, 2.77 A)
 &rst
  ixpk= 3929, nxpk= 20, iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1103,1104,
 &end
#
#    8 PRO  HD-           5 GLN  HB+         6.00    (#   3933:20  Unique         2.75, 5.32 A)
 &rst
  ixpk= 3933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 135, 136,
 igr2=  90,  91,
 &end
#
#    0 AMB  20-2:3935     0 AMB  20-1:3935   3.00    (#   3935:20  Double Ambig)
 &rst
  ixpk= 3935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  88, 331,
 igr2=  90,  91, 402, 403,
 &end
#
#    6 PRO  HD-           5 GLN  HB+         5.00    (#   3936:20  Unique         3.80, 4.68 A)
 &rst
  ixpk= 3936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 104, 105,
 igr2=  90,  91,
 &end
#
#   21 VAL  MGX          25 GLN  HB-         4.00    (#   3939:20  Unique         1.95, 4.23 A)
 &rst
  ixpk= 3939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 335, 336, 337, 339, 340, 341,
 igr2= 402, 403,
 &end
#
#    0 AMB  20-2:3941     0 AMB  20-1:3941   5.00    (#   3941:20  Double Ambig)
 &rst
  ixpk= 3941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1402, 762,1143,
 igr2=1389,1390, 749, 750,1103,1104,
 &end
#
#    0 AMB  20-2:3942     0 AMB  20-1:3942   3.00    (#   3942:20  Double Ambig)
 &rst
  ixpk= 3942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1534,1387,
 igr2=1103,1104,1389,1390,
 &end
#
#    0 AMB  20-2:3945     0 AMB  20-1:3945   3.00    (#   3945:20  Double Ambig)
 &rst
  ixpk= 3945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=2176,2177,2195,2196,1357,1358,1359,1379,1380,1381,
      1280,1281,1299,1321,1322,1321,1322,
 igr2=2158,2159,2249,2250,1389,1390,1340,1341,1103,1104,
      
 &end
#
#  139 ARG  HB+         142 ARG  HB-         5.00    (#   3946:20  Unique         3.71, 5.39 A)
 &rst
  ixpk= 3946, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2195,2196,
 igr2=2249,2250,
 &end
#
#   96 VAL  MGX          68 HIS  HB+         3.00    (#   3947:20  Unique         1.96, 4.17 A)
 &rst
  ixpk= 3947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1538,1539,1540,1542,1543,1544,
 igr2=1103,1104,
 &end
#
#    0 AMB  20-2:3948     0 AMB  20-1:3948   3.00    (#   3948:20  Double Ambig)
 &rst
  ixpk= 3948, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=2074,2075,2247, 695, 747,
 igr2= 749, 750,2249,2250,
 &end
#
#  137 GLU  HA          137 GLU  HB-         4.00    (#   3949:20  Unique         2.26, 2.80 A)
 &rst
  ixpk= 3949, nxpk= 20, iat=2156,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2158,2159,
 &end
#
#    0 AMB  20-2:3950     0 AMB  20-1:3950   4.00    (#   3950:20  Double Ambig)
 &rst
  ixpk= 3950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=2176,2177,2198,2199, 700,
 igr2=2158,2159,2249,2250, 749, 750,
 &end
#
#    0 AMB  20-2:3953     0 AMB  20-1:3953   3.00    (#   3953:20  Double Ambig)
 &rst
  ixpk= 3953, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  88, 331,
 igr2=  90,  91, 402, 403,
 &end
#
#   86 ALA  MB           87 GLU  HB+         4.00    (#   3955:20  Unique         4.08, 5.92 A)
 &rst
  ixpk= 3955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1379,1380,1381,
 igr2=1389,1390,
 &end
#
#  142 ARG  HD+         142 ARG  HB+         4.00    (#   3963:20  Unique         2.24, 3.36 A)
 &rst
  ixpk= 3963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=2255,2256,
 igr2=2249,2250,
 &end
#
#   61 GLN  HA           30 LYS  HD+         6.00    (#   3971:20  Unique         3.25, 4.74 A)
 &rst
  ixpk= 3971, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 485, 486,
 &end
#
#   57 LYS  HA           57 LYS  HD+         6.00    (#   3973:20  Unique         2.09, 4.08 A)
 &rst
  ixpk= 3973, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 929, 930,
 &end
#
#   57 LYS  HG-          57 LYS  HD+         4.00    (#   3974:20  Unique         2.28, 2.68 A)
 &rst
  ixpk= 3974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 926, 927,
 igr2= 929, 930,
 &end
#
#   57 LYS  HG+          57 LYS  HD+         4.00    (#   3975:20  Unique         2.28, 2.68 A)
 &rst
  ixpk= 3975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 926, 927,
 igr2= 929, 930,
 &end
#
#    1 MET  HA            5 GLN  HB+         5.00    (#   4000:20  Unique         1.94, 4.37 A)
 &rst
  ixpk= 4000, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  90,  91,
 &end
#
#    1 MET  ME            5 GLN  HB+         3.00    (#   4001:20  Unique         2.01, 4.30 A)
 &rst
  ixpk= 4001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  15,  16,  17,
 igr2=  90,  91,
 &end
#
#    0 AMB  20-2:4002     0 AMB  20-1:4002   5.00    (#   4002:20  Double Ambig)
 &rst
  ixpk= 4002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 138, 139,  28,  29,
 igr2=  90,  91,  90,  91,
 &end
#
#   25 GLN  HA           25 GLN  HB-         3.00    (#   4004:20  Unique         2.54, 2.83 A)
 &rst
  ixpk= 4004, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 402, 403,
 &end
#
#  146 GLU  HA          146 GLU  HB-         3.00    (#   4006:20  Unique         2.33, 2.67 A)
 &rst
  ixpk= 4006, nxpk= 20, iat=2316,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2318,2319,
 &end
#
#  146 GLU  HG-         146 GLU  HB-         3.00    (#   4007:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 4007, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2321,2322,
 igr2=2318,2319,
 &end
#
#  137 GLU  HA          137 GLU  HB+         4.00    (#   4009:20  Unique         2.26, 2.80 A)
 &rst
  ixpk= 4009, nxpk= 20, iat=2156,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2158,2159,
 &end
#
#    0 AMB  20-2:4010     0 AMB  20-1:4010   4.00    (#   4010:20  Double Ambig)
 &rst
  ixpk= 4010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 104, 105,2137,
 igr2=  90,  91,2158,2159,
 &end
#
#    0 AMB  20-2:4011     0 AMB  20-1:4011   4.00    (#   4011:20  Double Ambig)
 &rst
  ixpk= 4011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2179,2180, 333,  15,  16,  17,
 igr2=2158,2159, 402, 403,  90,  91,
 &end
#
#    0 AMB  20-2:4012     0 AMB  20-1:4012   5.00    (#   4012:20  Double Ambig)
 &rst
  ixpk= 4012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 138, 139,2142,2139,2140,
 igr2=  90,  91,2158,2159,2158,2159,
 &end
#
#   21 VAL  MGX          25 GLN  HB+         4.00    (#   4013:20  Unique         1.95, 4.23 A)
 &rst
  ixpk= 4013, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 335, 336, 337, 339, 340, 341,
 igr2= 402, 403,
 &end
#
#   25 GLN  HA           25 GLN  HB+         3.00    (#   4014:20  Unique         2.54, 2.83 A)
 &rst
  ixpk= 4014, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 402, 403,
 &end
#
#   52 ASN  HB+          53 GLU  HB+         5.00    (#   4015:20  Unique         3.96, 5.97 A)
 &rst
  ixpk= 4015, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 838, 839,
 igr2= 852, 853,
 &end
#
#   82 LYS  HA           82 LYS  HD+         4.00    (#   4023:20  Unique         1.96, 3.09 A)
 &rst
  ixpk= 4023, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1324,1325,
 &end
#
#   17 LEU  MDY          82 LYS  HD+         3.00    (#   4025:20  Unique         1.97, 4.19 A)
 &rst
  ixpk= 4025, 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=1324,1325,
 &end
#
#   29 GLU  HB-         119 LYS  HD-         6.00    (#   4028:20  Unique         3.95, 5.04 A)
 &rst
  ixpk= 4028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 464, 465,
 igr2=1890,1891,
 &end
#
#    0 AMB  20-2:4031     0 AMB  20-1:4031   6.00    (#   4031:20  Double Ambig)
 &rst
  ixpk= 4031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 995, 996, 998, 999,
 igr2= 485, 486, 485, 486,
 &end
#
#   29 GLU  HB+          30 LYS  HD+         4.00    (#   4033:20  Unique         2.86, 5.22 A)
 &rst
  ixpk= 4033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 464, 465,
 igr2= 485, 486,
 &end
#
#   61 GLN  HA           30 LYS  HD-         5.00    (#   4034:20  Unique         3.25, 4.74 A)
 &rst
  ixpk= 4034, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 485, 486,
 &end
#
#   29 GLU  HG-          30 LYS  HD-         5.00    (#   4035:20  Unique         2.07, 5.12 A)
 &rst
  ixpk= 4035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 467, 468,
 igr2= 485, 486,
 &end
#
#   87 GLU  HA           87 GLU  HB+         3.00    (#   4043:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 4043, nxpk= 20, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1389,1390,
 &end
#
#    8 PRO  HD-           5 GLN  HB-         5.00    (#   4044:20  Unique         2.75, 5.32 A)
 &rst
  ixpk= 4044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 135, 136,
 igr2=  90,  91,
 &end
#
#    0 AMB  20-2:4045     0 AMB  20-1:4045   3.00    (#   4045:20  Double Ambig)
 &rst
  ixpk= 4045, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 803, 850,1562,
 igr2= 852, 853, 852, 853, 207, 208,
 &end
#
#    0 AMB  20-2:4050     0 AMB  20-1:4050   5.00    (#   4050:20  Double Ambig)
 &rst
  ixpk= 4050, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1343,1344, 777, 778,
 igr2=1324,1325, 733, 734,
 &end
#
#    0 AMB  20-2:4051     0 AMB  20-1:4051   3.00    (#   4051:20  Double Ambig)
 &rst
  ixpk= 4051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 283, 284, 285, 287, 288, 289, 648, 649, 650,
 igr2=1324,1325,1283,1284,
 &end
#
#   30 LYS  HB+          30 LYS  HD+         3.00    (#   4055:20  Unique         1.99, 3.01 A)
 &rst
  ixpk= 4055, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 479, 480,
 igr2= 485, 486,
 &end
#
#   30 LYS  HB+          30 LYS  HD-         4.00    (#   4057:20  Unique         1.99, 3.01 A)
 &rst
  ixpk= 4057, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 479, 480,
 igr2= 485, 486,
 &end
#
#    0 AMB  20-2:4063    53 GLU  HB-         3.00    (#   4063:20  Single Ambig)
 &rst
  ixpk= 4063, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 803, 850,
 igr2= 852, 853,
 &end
#
#    0 AMB  20-2:4064     0 AMB  20-1:4064   6.00    (#   4064:20  Double Ambig)
 &rst
  ixpk= 4064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=2182,2183,2109,2110,
 igr2=2158,2159,2158,2159,
 &end
#
#   49 PRO  HD-          50 GLN  HB+         6.00    (#   4067:20  Unique         3.74, 5.52 A)
 &rst
  ixpk= 4067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 788, 789,
 igr2= 805, 806,
 &end
#
#    0 AMB  20-2:4069     0 AMB  20-1:4069   3.00    (#   4069:20  Double Ambig)
 &rst
  ixpk= 4069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1244,1245, 716, 717,
 igr2=1283,1284, 733, 734,
 &end
#
#    0 AMB  20-2:4070     0 AMB  20-1:4070   3.00    (#   4070:20  Double Ambig)
 &rst
  ixpk= 4070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1321,1322,1321,1322, 730, 731,1379,1380,1381,
 igr2=1324,1325,1324,1325, 733, 734,1324,1325,
 &end
#
#  138 LYS  HA          138 LYS  HD+         4.00    (#   4071:20  Unique         2.04, 3.30 A)
 &rst
  ixpk= 4071, nxpk= 20, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2179,2180,
 &end
#
#   44 CYS  HA           44 CYS  HB+         6.00    (#   4083:20  Unique         2.27, 2.65 A)
 &rst
  ixpk= 4083, nxpk= 20, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 716, 717,
 &end
#
#   51 VAL  MGY          50 GLN  HB-         6.00    (#   4090:20  Unique         3.91, 6.50 A)
 &rst
  ixpk= 4090, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 824, 825, 826, 828, 829, 830,
 igr2= 805, 806,
 &end
#
#    0 AMB  20-2:4096     0 AMB  20-1:4096   3.00    (#   4096:20  Double Ambig)
 &rst
  ixpk= 4096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1189,1190, 390, 391,
 igr2=1186,1187, 387, 388,
 &end
#
#    0 AMB  20-2:4097     0 AMB  20-1:4097   3.00    (#   4097:20  Double Ambig)
 &rst
  ixpk= 4097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 803,2074,2075,
 igr2= 805, 806, 805, 806,
 &end
#
#    0 AMB  20-2:4101     0 AMB  20-1:4101   3.00    (#   4101:20  Double Ambig)
 &rst
  ixpk= 4101, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1286,1287, 736, 737,
 igr2=1283,1284, 733, 734,
 &end
#
#    0 AMB  20-2:4102     0 AMB  20-1:4102   4.00    (#   4102:20  Double Ambig)
 &rst
  ixpk= 4102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1201,1202,1343,1344, 777, 778,
 igr2=1283,1284,1324,1325, 733, 734,
 &end
#
#    0 AMB  20-2:4104     0 AMB  20-1:4104   3.00    (#   4104:20  Double Ambig)
 &rst
  ixpk= 4104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  25,  26,1277,1278,
 igr2=  31,  32,1283,1284,
 &end
#
#   47 ALA  MB           44 CYS  HB-         6.00    (#   4112:20  Unique         4.36, 6.05 A)
 &rst
  ixpk= 4112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 764, 765, 766,
 igr2= 716, 717,
 &end
#
#    0 AMB  20-2:4118     0 AMB  20-1:4118   4.00    (#   4118:20  Double Ambig)
 &rst
  ixpk= 4118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 762, 909,
 igr2= 805, 806, 966, 967,
 &end
#
#   76 LEU  MDY          73 GLU  HB-         3.00    (#   4119:20  Unique         2.23, 5.48 A)
 &rst
  ixpk= 4119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1230,1231,1232,1234,1235,1236,
 igr2=1186,1187,
 &end
#
#    0 AMB  20-2:4126     0 AMB  20-1:4126   3.00    (#   4126:20  Double Ambig)
 &rst
  ixpk= 4126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 385,1184,
 igr2= 387, 388,1186,1187,
 &end
#
#   49 PRO  HD-          50 GLN  HB+         6.00    (#   4128:20  Unique         3.74, 5.52 A)
 &rst
  ixpk= 4128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 788, 789,
 igr2= 805, 806,
 &end
#
#    2 LYS  HA            2 LYS  HD+         4.00    (#   4130:20  Unique         2.25, 4.41 A)
 &rst
  ixpk= 4130, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  31,  32,
 &end
#
#   44 CYS  HA           45 LYS  HD-         5.00    (#   4131:20  Unique         4.25, 4.91 A)
 &rst
  ixpk= 4131, nxpk= 20, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 733, 734,
 &end
#
#    2 LYS  HG-           2 LYS  HD+         3.00    (#   4133:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 4133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  28,  29,
 igr2=  31,  32,
 &end
#
#  139 ARG  HA          139 ARG  HB-         6.00    (#   4136:20  Unique         2.49, 2.86 A)
 &rst
  ixpk= 4136, nxpk= 20, iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2195,2196,
 &end
#
#  138 LYS  HG+         139 ARG  HB+         5.00    (#   4140:20  Unique         3.79, 6.28 A)
 &rst
  ixpk= 4140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2176,2177,
 igr2=2195,2196,
 &end
#
#  133 MET  HG+          50 GLN  HB+         6.00    (#   4153:20  Unique         1.97, 3.73 A)
 &rst
  ixpk= 4153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2086,2087,
 igr2= 805, 806,
 &end
#
#    0 AMB  20-2:4155     0 AMB  20-1:4155   3.00    (#   4155:20  Double Ambig)
 &rst
  ixpk= 4155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 557, 558, 559, 172, 173, 174, 176, 177, 178,
 igr2= 554, 555, 554, 555,
 &end
#
#   34 ILE  QG2          34 ILE  HG1+        5.00    (#   4157:20  Unique         2.00, 3.29 A)
 &rst
  ixpk= 4157, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 550, 551, 552,
 igr2= 554, 555,
 &end
#
#    0 AMB  20-2:4160   139 ARG  HB-         5.00    (#   4160:20  Single Ambig)
 &rst
  ixpk= 4160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 igr2=2195,2196,
 &end
#
#  139 ARG  HA          139 ARG  HB+         5.00    (#   4162:20  Unique         2.49, 2.86 A)
 &rst
  ixpk= 4162, nxpk= 20, iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=2195,2196,
 &end
#
#  136 LEU  MDY         139 ARG  HB+         6.00    (#   4163:20  Unique         2.22, 4.85 A)
 &rst
  ixpk= 4163, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=2195,2196,
 &end
#
#    0 AMB  20-2:4165    34 ILE  HG1-        3.00    (#   4165:20  Single Ambig)
 &rst
  ixpk= 4165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 557, 558, 559, 172, 173, 174, 176, 177, 178,
 igr2= 554, 555,
 &end
#
#   34 ILE  QG2          34 ILE  HG1-        5.00    (#   4166:20  Unique         2.00, 3.29 A)
 &rst
  ixpk= 4166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 550, 551, 552,
 igr2= 554, 555,
 &end
#
#   56 ASP  HA           59 GLN  HB+         4.00    (#   4173:20  Unique         1.96, 3.01 A)
 &rst
  ixpk= 4173, nxpk= 20, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 966, 967,
 &end
#
#   59 GLN  HA           59 GLN  HB+         4.00    (#   4174:20  Unique         2.26, 2.53 A)
 &rst
  ixpk= 4174, nxpk= 20, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 966, 967,
 &end
#
#   59 GLN  HA           59 GLN  HB-         3.00    (#   4176:20  Unique         2.26, 2.53 A)
 &rst
  ixpk= 4176, nxpk= 20, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 966, 967,
 &end
#
#   65 VAL  MGX          93 PRO  HG+         5.00    (#   4178:20  Unique         1.99, 5.35 A)
 &rst
  ixpk= 4178, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1063,1064,1065,1067,1068,1069,
 igr2=1483,1484,
 &end
#
#  140 VAL  MGX         139 ARG  HB-         6.00    (#   4180:20  Unique         3.39, 6.28 A)
 &rst
  ixpk= 4180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2221,2222,2223,2225,2226,2227,
 igr2=2195,2196,
 &end
#
#    0 AMB  20-2:4181   139 ARG  HB-         6.00    (#   4181:20  Single Ambig)
 &rst
  ixpk= 4181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1794,1795,2235,2236,
 igr2=2195,2196,
 &end
#
#  139 ARG  HD+         139 ARG  HB+         6.00    (#   4182:20  Unique         2.28, 3.28 A)
 &rst
  ixpk= 4182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2201,2202,
 igr2=2195,2196,
 &end
#
#   49 PRO  HD-          49 PRO  HG+         4.00    (#   4188:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 788, 789,
 igr2= 791, 792,
 &end
#
#   49 PRO  HD-          49 PRO  HG-         4.00    (#   4189:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4189, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 788, 789,
 igr2= 791, 792,
 &end
#
#   33 LEU  HB-          33 LEU  HG          5.00    (#   4192:20  Unique         2.29, 2.70 A)
 &rst
  ixpk= 4192, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 529, 530,
 &end
#
#   33 LEU  HB+          33 LEU  HG          4.00    (#   4194:20  Unique         2.29, 2.70 A)
 &rst
  ixpk= 4194, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 529, 530,
 &end
#
#   49 PRO  HD+          49 PRO  HG+         4.00    (#   4197:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 788, 789,
 igr2= 791, 792,
 &end
#
#    0 AMB  20-2:4203     7 MET  HG-         5.00    (#   4203:20  Single Ambig)
 &rst
  ixpk= 4203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 172, 173, 174, 176, 177, 178, 557, 558, 559,
 igr2= 124, 125,
 &end
#
#   49 PRO  HA           49 PRO  HG-         5.00    (#   4206:20  Unique         3.88, 3.93 A)
 &rst
  ixpk= 4206, nxpk= 20, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 791, 792,
 &end
#
#   33 LEU  HB+          33 LEU  HG          4.00    (#   4211:20  Unique         2.29, 2.70 A)
 &rst
  ixpk= 4211, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 529, 530,
 &end
#
#   33 LEU  HB-          33 LEU  HG          4.00    (#   4212:20  Unique         2.29, 2.70 A)
 &rst
  ixpk= 4212, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 529, 530,
 &end
#
#    0 AMB  20-2:4213    33 LEU  HG          3.00    (#   4213:20  Single Ambig)
 &rst
  ixpk= 4213, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 534, 535, 536, 538, 539, 540,1047,1048,1049,1051,
      1052,1053,
 &end
#
#   33 LEU  MDX          33 LEU  HG          3.00    (#   4214:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 4214, 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  20-2:4215    33 LEU  HG          5.00    (#   4215:20  Single Ambig)
 &rst
  ixpk= 4215, nxpk= 20, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1017,1018,1019,1021,1022,1023,2221,2222,2223,2225,
      2226,2227,
 &end
#
#    4 ARG  HB-           4 ARG  HG-         3.00    (#   4217:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 4217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  66,  67,
 igr2=  69,  70,
 &end
#
#    4 ARG  HB+           4 ARG  HG-         3.00    (#   4218:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 4218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  66,  67,
 igr2=  69,  70,
 &end
#
#    3 LEU  MDY           4 ARG  HG+         5.00    (#   4219:20  Unique         4.34, 6.44 A)
 &rst
  ixpk= 4219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  52,  53,  54,  56,  57,  58,
 igr2=  69,  70,
 &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=10.90, r4=11.40,
 igr1= 172, 173, 174, 176, 177, 178, 557, 558, 559,
 igr2= 124, 125, 124, 125,
 &end
#
#   88 HIS  HB+          49 PRO  HG+         6.00    (#   4224:20  Unique         5.64, 7.73 A)
 &rst
  ixpk= 4224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1404,1405,
 igr2= 791, 792,
 &end
#
#   92 GLN  HB+          93 PRO  HG+         6.00    (#   4225:20  Unique         3.89, 5.06 A)
 &rst
  ixpk= 4225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1466,1467,
 igr2=1483,1484,
 &end
#
#    4 ARG  HA            4 ARG  HG-         5.00    (#   4226:20  Unique         2.71, 3.52 A)
 &rst
  ixpk= 4226, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  69,  70,
 &end
#
#    0 AMB  20-2:4227     4 ARG  HG-         4.00    (#   4227:20  Single Ambig)
 &rst
  ixpk= 4227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  72,  73,  72,  73,
 igr2=  69,  70,
 &end
#
#   84 THR  MG2          81 ILE  HG1+        5.00    (#   4229:20  Unique         3.43, 5.54 A)
 &rst
  ixpk= 4229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1357,1358,1359,
 igr2=1305,1306,
 &end
#
#   81 ILE  HA           81 ILE  HG1+        6.00    (#   4230:20  Unique         2.14, 2.75 A)
 &rst
  ixpk= 4230, nxpk= 20, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1305,1306,
 &end
#
#    7 MET  HA            7 MET  HG-         6.00    (#   4231:20  Unique         2.13, 3.13 A)
 &rst
  ixpk= 4231, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 124, 125,
 &end
#
#    0 AMB  20-2:4233     0 AMB  20-1:4233   5.00    (#   4233:20  Double Ambig)
 &rst
  ixpk= 4233, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 648, 649, 650, 447, 448, 449, 424, 425, 426, 428,
       429, 430,
 igr2=1305,1306, 124, 125,
 &end
#
#    0 AMB  20-2:4234     7 MET  HG-         5.00    (#   4234:20  Single Ambig)
 &rst
  ixpk= 4234, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 172, 173, 174, 176, 177, 178, 557, 558, 559,
 igr2= 124, 125,
 &end
#
#   81 ILE  QD1          81 ILE  HG1-        6.00    (#   4236:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 4236, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1308,1309,1310,
 igr2=1305,1306,
 &end
#
#    4 ARG  HA            4 ARG  HG+         4.00    (#   4242:20  Unique         2.71, 3.52 A)
 &rst
  ixpk= 4242, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  69,  70,
 &end
#
#    4 ARG  HD-           4 ARG  HG+         3.00    (#   4243:20  Unique         2.27, 2.75 A)
 &rst
  ixpk= 4243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  72,  73,
 igr2=  69,  70,
 &end
#
#    4 ARG  HB-           4 ARG  HG+         4.00    (#   4244:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 4244, 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    (#   4245:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 4245, 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+        5.00    (#   4247:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 4247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1308,1309,1310,
 igr2=1305,1306,
 &end
#
#   81 ILE  QG2          81 ILE  HG1+        6.00    (#   4256:20  Unique         2.02, 3.38 A)
 &rst
  ixpk= 4256, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1301,1302,1303,
 igr2=1305,1306,
 &end
#
#   80 LYS  HB-          81 ILE  HG1+        6.00    (#   4257:20  Unique         3.31, 5.03 A)
 &rst
  ixpk= 4257, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1277,1278,
 igr2=1305,1306,
 &end
#
#    0 AMB  20-2:4266   100 HIS  HB-         5.00    (#   4266:20  Single Ambig)
 &rst
  ixpk= 4266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1631,1687,
 igr2=1587,1588,
 &end
#
#  144 LEU  MDY          31 PRO  HG-         5.00    (#   4274:20  Unique         1.95, 3.96 A)
 &rst
  ixpk= 4274, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2= 501, 502,
 &end
#
#   31 PRO  HD+          31 PRO  HG-         3.00    (#   4275:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 498, 499,
 igr2= 501, 502,
 &end
#
#  144 LEU  HA           31 PRO  HG-         3.00    (#   4276:20  Unique         2.96, 3.69 A)
 &rst
  ixpk= 4276, nxpk= 20, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 501, 502,
 &end
#
#   31 PRO  HB-          31 PRO  HG-         3.00    (#   4277:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 504, 505,
 igr2= 501, 502,
 &end
#
#  100 HIS  HA          100 HIS  HB-         4.00    (#   4284:20  Unique         2.23, 2.72 A)
 &rst
  ixpk= 4284, nxpk= 20, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1587,1588,
 &end
#
#    0 AMB  20-2:4285   100 HIS  HB-         5.00    (#   4285:20  Single Ambig)
 &rst
  ixpk= 4285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1635,1636,1637,1614,1615,
 igr2=1587,1588,
 &end
#
#  100 HIS  HA          100 HIS  HB+         4.00    (#   4286:20  Unique         2.23, 2.72 A)
 &rst
  ixpk= 4286, nxpk= 20, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1587,1588,
 &end
#
#    0 AMB  20-2:4287     0 AMB  20-1:4287   5.00    (#   4287:20  Double Ambig)
 &rst
  ixpk= 4287, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1631,1687,
 igr2=1587,1588,1587,1588,
 &end
#
#    0 AMB  20-2:4288     0 AMB  20-1:4288   5.00    (#   4288:20  Double Ambig)
 &rst
  ixpk= 4288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,
 igr1=1635,1636,1637,1614,1615,
 igr2=1587,1588,1587,1588,
 &end
#
#   48 MET  HA           48 MET  HB+         4.00    (#   4289:20  Unique         2.81, 2.90 A)
 &rst
  ixpk= 4289, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 774, 775,
 &end
#
#   48 MET  HG-          48 MET  HB+         3.00    (#   4290:20  Unique         2.31, 2.63 A)
 &rst
  ixpk= 4290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 777, 778,
 igr2= 774, 775,
 &end
#
#   78 PRO  HD+          78 PRO  HG+         4.00    (#   4291:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1253,1254,
 igr2=1256,1257,
 &end
#
#   78 PRO  HD-          78 PRO  HG+         3.00    (#   4292:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1253,1254,
 igr2=1256,1257,
 &end
#
#   78 PRO  HB+          78 PRO  HG+         3.00    (#   4294:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4294, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1259,1260,
 igr2=1256,1257,
 &end
#
#   62 LEU  HB+          31 PRO  HG-         5.00    (#   4300:20  Unique         1.94, 3.42 A)
 &rst
  ixpk= 4300, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1012,1013,
 igr2= 501, 502,
 &end
#
#    0 AMB  20-2:4301    31 PRO  HG-         3.00    (#   4301:20  Single Ambig)
 &rst
  ixpk= 4301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 igr2= 501, 502,
 &end
#
#  144 LEU  MDX          31 PRO  HG-         3.00    (#   4302:20  Unique         1.95, 3.96 A)
 &rst
  ixpk= 4302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2= 501, 502,
 &end
#
#   78 PRO  HD+          78 PRO  HG-         3.00    (#   4303:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1253,1254,
 igr2=1256,1257,
 &end
#
#    3 LEU  HG          123 LEU  HG          6.00    (#   4307:20  Unique         4.42, 5.22 A)
 &rst
  ixpk= 4307, nxpk= 20, iat=  50,1947, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 PRO  HD+          48 MET  HB+         4.00    (#   4316:20  Unique         1.83, 2.69 A)
 &rst
  ixpk= 4316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 788, 789,
 igr2= 774, 775,
 &end
#
#   78 PRO  HA           78 PRO  HG+         4.00    (#   4318:20  Unique         3.88, 3.93 A)
 &rst
  ixpk= 4318, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1256,1257,
 &end
#
#  104 ASP  HA          107 GLU  HB-         6.00    (#   4321:20  Unique         4.49, 5.74 A)
 &rst
  ixpk= 4321, nxpk= 20, iat=1645,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1689,1690,
 &end
#
#  144 LEU  MDY          31 PRO  HG-         5.00    (#   4326:20  Unique         1.95, 3.96 A)
 &rst
  ixpk= 4326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2294,2295,2296,2298,2299,2300,
 igr2= 501, 502,
 &end
#
#    9 GLU  HB+           8 PRO  HG+         4.00    (#   4329:20  Unique         3.84, 5.81 A)
 &rst
  ixpk= 4329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 152, 153,
 igr2= 138, 139,
 &end
#
#   49 PRO  HD-          48 MET  HB+         4.00    (#   4343:20  Unique         1.83, 2.69 A)
 &rst
  ixpk= 4343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 788, 789,
 igr2= 774, 775,
 &end
#
#   88 HIS  HB+          48 MET  HB-         6.00    (#   4347:20  Unique         2.38, 4.45 A)
 &rst
  ixpk= 4347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1404,1405,
 igr2= 774, 775,
 &end
#
#    0 AMB  20-2:4358    71 ARG  HG-         5.00    (#   4358:20  Single Ambig)
 &rst
  ixpk= 4358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 658, 659,1175,1176,
 igr2=1154,1155,
 &end
#
#    3 LEU  HG          123 LEU  HG          6.00    (#   4361:20  Unique         4.42, 5.22 A)
 &rst
  ixpk= 4361, nxpk= 20, iat=  50,1947, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:4363   123 LEU  HG          6.00    (#   4363:20  Single Ambig)
 &rst
  ixpk= 4363, nxpk= 20, iat=  -1,1947, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=  15,  16,  17,1966,1967,
 &end
#
#   10 LEU  MDX           8 PRO  HG+         3.00    (#   4365:20  Unique         2.86, 5.78 A)
 &rst
  ixpk= 4365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 172, 173, 174, 176, 177, 178,
 igr2= 138, 139,
 &end
#
#    3 LEU  HA            3 LEU  HG          5.00    (#   4386:20  Unique         3.02, 3.38 A)
 &rst
  ixpk= 4386, nxpk= 20, iat=  45,  50, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    2 LYS  HB-           3 LEU  HG          5.00    (#   4387:20  Unique         3.31, 4.28 A)
 &rst
  ixpk= 4387, nxpk= 20, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  25,  26,
 &end
#
#    3 LEU  HB-           3 LEU  HG          3.00    (#   4388:20  Unique         2.35, 2.73 A)
 &rst
  ixpk= 4388, nxpk= 20, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  47,  48,
 &end
#
#    3 LEU  MDX           3 LEU  HG          3.00    (#   4389:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4389, 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    (#   4390:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4390, 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
#
#    7 MET  HG+          10 LEU  HG          6.00    (#   4392:20  Unique         2.36, 4.69 A)
 &rst
  ixpk= 4392, nxpk= 20, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 124, 125,
 &end
#
#   10 LEU  HB+          10 LEU  HG          3.00    (#   4393:20  Unique         2.29, 2.65 A)
 &rst
  ixpk= 4393, nxpk= 20, iat=  -1, 170, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 167, 168,
 &end
#
#   23 ARG  HB+          23 ARG  HG+         3.00    (#   4399:20  Unique         2.27, 2.76 A)
 &rst
  ixpk= 4399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 363, 364,
 igr2= 366, 367,
 &end
#
#    7 MET  HA            8 PRO  HG-         6.00    (#   4400:20  Unique         4.26, 4.38 A)
 &rst
  ixpk= 4400, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 138, 139,
 &end
#
#    8 PRO  HD-           8 PRO  HG-         5.00    (#   4403:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 135, 136,
 igr2= 138, 139,
 &end
#
#    3 LEU  MDX         123 LEU  HG          5.00    (#   4405:20  Unique         2.39, 5.17 A)
 &rst
  ixpk= 4405, nxpk= 20, iat=  -1,1947, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  20-2:4406   123 LEU  HG          3.00    (#   4406:20  Single Ambig)
 &rst
  ixpk= 4406, nxpk= 20, iat=  -1,1947, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1949,1950,1951,1953,1954,1955,  52,  53,  54,  56,
        57,  58,
 &end
#
#  123 LEU  MDY         123 LEU  HG          4.00    (#   4407:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 4407, nxpk= 20, iat=  -1,1947, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#  123 LEU  HA          123 LEU  HG          6.00    (#   4408:20  Unique         2.64, 3.22 A)
 &rst
  ixpk= 4408, nxpk= 20, iat=1942,1947, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:4421     0 AMB  20-1:4421   4.00    (#   4421:20  Double Ambig)
 &rst
  ixpk= 4421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1506,1507,1508, 283, 284, 285, 287, 288, 289,
 igr2=1503,1504,1503,1504,
 &end
#
#   90 ILE  QG2          94 ILE  HG1+        6.00    (#   4422:20  Unique         1.87, 4.40 A)
 &rst
  ixpk= 4422, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1435,1436,1437,
 igr2=1503,1504,
 &end
#
#    4 ARG  HD-           4 ARG  HB+         5.00    (#   4424:20  Unique         2.08, 3.02 A)
 &rst
  ixpk= 4424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  72,  73,
 igr2=  66,  67,
 &end
#
#    4 ARG  HA            4 ARG  HB+         3.00    (#   4425:20  Unique         2.28, 2.60 A)
 &rst
  ixpk= 4425, nxpk= 20, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  66,  67,
 &end
#
#    0 AMB  20-2:4427     0 AMB  20-1:4427   6.00    (#   4427:20  Double Ambig)
 &rst
  ixpk= 4427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  88,  23,
 igr2=  66,  67,  66,  67,
 &end
#
#    0 AMB  20-2:4431     0 AMB  20-1:4431   3.00    (#   4431:20  Double Ambig)
 &rst
  ixpk= 4431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=2249,2250,2249,2250, 387, 388,
 igr2=2252,2253,2252,2253, 366, 367,
 &end
#
#    0 AMB  20-2:4433     0 AMB  20-1:4433   5.00    (#   4433:20  Double Ambig)
 &rst
  ixpk= 4433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1614,1615, 351, 352, 353,
 igr2= 170, 366, 367,
 &end
#
#    0 AMB  20-2:4434     0 AMB  20-1:4434   4.00    (#   4434:20  Double Ambig)
 &rst
  ixpk= 4434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 361,2271,
 igr2= 366, 367, 170,1966,1967,
 &end
#
#  144 LEU  HA          144 LEU  HG          4.00    (#   4436:20  Unique         2.85, 2.96 A)
 &rst
  ixpk= 4436, nxpk= 20, iat=2287,2292, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  141 ASN  HA          144 LEU  HG          3.00    (#   4438:20  Unique         3.00, 3.05 A)
 &rst
  ixpk= 4438, nxpk= 20, iat=2233,2292, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   17 LEU  MDX          17 LEU  HG          3.00    (#   4439:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4439, nxpk= 20, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 283, 284, 285, 287, 288, 289,
 &end
#
#    0 AMB  20-2:4443     0 AMB  20-1:4443   4.00    (#   4443:20  Double Ambig)
 &rst
  ixpk= 4443, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 436,1612,
 igr2= 444, 445, 138, 139,
 &end
#
#    8 PRO  HD+           8 PRO  HG-         5.00    (#   4444:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 135, 136,
 igr2= 138, 139,
 &end
#
#    8 PRO  HB-           8 PRO  HG-         4.00    (#   4445:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 141, 142,
 igr2= 138, 139,
 &end
#
#   46 GLU  HB-          43 LEU  HG          6.00    (#   4447:20  Unique         4.39, 6.13 A)
 &rst
  ixpk= 4447, nxpk= 20, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 749, 750,
 &end
#
#   43 LEU  HA           43 LEU  HG          4.00    (#   4448:20  Unique         2.38, 3.06 A)
 &rst
  ixpk= 4448, nxpk= 20, iat= 695, 700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   43 LEU  HB-          43 LEU  HG          3.00    (#   4449:20  Unique         2.25, 2.73 A)
 &rst
  ixpk= 4449, nxpk= 20, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 697, 698,
 &end
#
#   43 LEU  MDX          43 LEU  HG          3.00    (#   4450:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4450, nxpk= 20, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#    8 PRO  HD-           8 PRO  HG+         5.00    (#   4454:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 135, 136,
 igr2= 138, 139,
 &end
#
#    8 PRO  HB-           8 PRO  HG+         4.00    (#   4455:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4455, 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  20-2:4456     0 AMB  20-1:4456   3.00    (#   4456:20  Double Ambig)
 &rst
  ixpk= 4456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=  15,  16,  17,1659,1660,1661, 141, 142,
 igr2= 138, 139, 138, 139, 138, 139,
 &end
#
#   26 LEU  MDY          27 ILE  HG1+        4.00    (#   4458:20  Unique         4.46, 6.56 A)
 &rst
  ixpk= 4458, 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= 444, 445,
 &end
#
#  143 VAL  HB           62 LEU  MDY         6.00    (#   4461:20  Unique         4.84, 6.98 A)
 &rst
  ixpk= 4461, nxpk= 20, iat=2273,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   66 ALA  MB           94 ILE  HG1+        5.00    (#   4471:20  Unique         1.90, 4.41 A)
 &rst
  ixpk= 4471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1077,1078,1079,
 igr2=1503,1504,
 &end
#
#    0 AMB  20-2:4472     4 ARG  HB-         5.00    (#   4472:20  Single Ambig)
 &rst
  ixpk= 4472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=  72,  73,  72,  73,
 igr2=  66,  67,
 &end
#
#    4 ARG  HG-           4 ARG  HB-         3.00    (#   4473:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 4473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  69,  70,
 igr2=  66,  67,
 &end
#
#    0 AMB  20-2:4477     0 AMB  20-1:4477   5.00    (#   4477:20  Double Ambig)
 &rst
  ixpk= 4477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=  72,  73,  72,  73,
 igr2=  66,  67,  66,  67,
 &end
#
#    0 AMB  20-2:4482     0 AMB  20-1:4482   3.00    (#   4482:20  Double Ambig)
 &rst
  ixpk= 4482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2255,2256,2255,2256,
 igr2=2252,2253,2252,2253,
 &end
#
#  142 ARG  HA            0 AMB  20-1:4483   3.00    (#   4483:20  Single Ambig)
 &rst
  ixpk= 4483, nxpk= 20, iat=2247,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=2252,2253,2252,2253,
 &end
#
#    0 AMB  20-2:4484     0 AMB  20-1:4484   3.00    (#   4484:20  Double Ambig)
 &rst
  ixpk= 4484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,1230,1231,1232,1234,1235,1236,
 igr2=1966,1967,1228,
 &end
#
#  144 LEU  MDY         144 LEU  HG          3.00    (#   4485:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 4485, nxpk= 20, iat=  -1,2292, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#  148 GLU  HB-         144 LEU  HG          6.00    (#   4486:20  Unique         5.93, 6.73 A)
 &rst
  ixpk= 4486, nxpk= 20, iat=  -1,2292, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2347,2348,
 &end
#
#    0 AMB  20-2:4487     8 PRO  HG-         3.00    (#   4487:20  Single Ambig)
 &rst
  ixpk= 4487, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  15,  16,  17,1659,1660,1661, 141, 142,
 igr2= 138, 139,
 &end
#
#   24 GLU  HA           27 ILE  HG1-        4.00    (#   4488:20  Unique         2.74, 3.66 A)
 &rst
  ixpk= 4488, nxpk= 20, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 444, 445,
 &end
#
#    0 AMB  20-2:4490     0 AMB  20-1:4490   3.00    (#   4490:20  Double Ambig)
 &rst
  ixpk= 4490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 447, 448, 449,1619,1620,1621,1623,1624,1625,
 igr2= 366, 367, 138, 139, 444, 445,
 &end
#
#    0 AMB  20-2:4491    43 LEU  HG          6.00    (#   4491:20  Single Ambig)
 &rst
  ixpk= 4491, nxpk= 20, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2074,2075,2056,2057,
 &end
#
#   43 LEU  MDY          43 LEU  HG          3.00    (#   4493:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4493, nxpk= 20, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#    8 PRO  HD+           8 PRO  HG+         5.00    (#   4495:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 4495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 135, 136,
 igr2= 138, 139,
 &end
#
#   27 ILE  HA           27 ILE  HG1+        5.00    (#   4497:20  Unique         2.46, 3.50 A)
 &rst
  ixpk= 4497, nxpk= 20, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 444, 445,
 &end
#
#   24 GLU  HA           27 ILE  HG1+        5.00    (#   4498:20  Unique         2.74, 3.66 A)
 &rst
  ixpk= 4498, nxpk= 20, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 444, 445,
 &end
#
#    0 AMB  20-2:4499     0 AMB  20-1:4499   4.00    (#   4499:20  Double Ambig)
 &rst
  ixpk= 4499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 438, 366, 367,
 igr2= 444, 445, 444, 445,
 &end
#
#    0 AMB  20-2:4506     0 AMB  20-1:4506   4.00    (#   4506:20  Double Ambig)
 &rst
  ixpk= 4506, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1077,1078,1079, 517, 518, 519,
 igr2=1503,1504, 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:4508     0 AMB  20-1:4508   5.00    (#   4508:20  Double Ambig)
 &rst
  ixpk= 4508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
 igr1=1439,1440, 444, 445,
 igr2=1503,1504, 424, 425, 426, 428, 429, 430,
 &end
#
#   58 TYR  HB-          62 LEU  MDY         4.00    (#   4509:20  Unique         1.97, 5.69 A)
 &rst
  ixpk= 4509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 945, 946,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#    0 AMB  20-2:4510    62 LEU  MDY         5.00    (#   4510:20  Single Ambig)
 &rst
  ixpk= 4510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 945, 946, 504, 505,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   33 LEU  HB+          62 LEU  MDY         4.00    (#   4511:20  Unique         1.97, 3.84 A)
 &rst
  ixpk= 4511, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 529, 530,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#    0 AMB  20-2:4512    62 LEU  MDY         3.00    (#   4512:20  Single Ambig)
 &rst
  ixpk= 4512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1012,1013, 501, 502, 504, 505,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   33 LEU  HB-          62 LEU  MDY         4.00    (#   4513:20  Unique         1.97, 3.84 A)
 &rst
  ixpk= 4513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 529, 530,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#    0 AMB  20-2:4514    62 LEU  MDY         4.00    (#   4514:20  Single Ambig)
 &rst
  ixpk= 4514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1012,1013, 534, 535, 536, 538, 539, 540,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   64 VAL  MGX          62 LEU  MDY         4.00    (#   4515:20  Unique         1.96, 5.30 A)
 &rst
  ixpk= 4515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1047,1048,1049,1051,1052,1053,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#    0 AMB  20-2:4522     0 AMB  20-1:4522   4.00    (#   4522:20  Double Ambig)
 &rst
  ixpk= 4522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1506,1507,1508, 283, 284, 285, 287, 288, 289,
 igr2=1503,1504,1503,1504,
 &end
#
#    0 AMB  20-2:4530     0 AMB  20-1:4530   5.00    (#   4530:20  Double Ambig)
 &rst
  ixpk= 4530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=2063,1612,
 igr2= 700,1617,
 &end
#
#    0 AMB  20-2:4534     0 AMB  20-1:4534   6.00    (#   4534:20  Double Ambig)
 &rst
  ixpk= 4534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 419, 420, 363, 364,
 igr2= 444, 445, 444, 445,
 &end
#
#   26 LEU  HA           26 LEU  MDY         5.00    (#   4536:20  Unique         1.93, 3.67 A)
 &rst
  ixpk= 4536, 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    (#   4537:20  Unique         1.97, 4.51 A)
 &rst
  ixpk= 4537, 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  20-2:4538     0 AMB  20-1:4538   3.00    (#   4538:20  Double Ambig)
 &rst
  ixpk= 4538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 419, 420, 422, 278, 279,
 igr2= 424, 425, 426, 428, 429, 430,1503,1504,
 &end
#
#    0 AMB  20-2:4540     0 AMB  20-1:4540   3.00    (#   4540:20  Double Ambig)
 &rst
  ixpk= 4540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 172, 173, 174, 176, 177, 178, 557, 558, 559,1499,
      1500,1501,
 igr2= 424, 425, 426, 428, 429, 430,1503,1504,
 &end
#
#  143 VAL  HB           62 LEU  MDY         6.00    (#   4542:20  Unique         4.84, 6.98 A)
 &rst
  ixpk= 4542, nxpk= 20, iat=2273,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   62 LEU  HG           62 LEU  MDY         4.00    (#   4543:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4543, nxpk= 20, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#  140 VAL  MGY          62 LEU  MDY         3.00    (#   4544:20  Unique         1.93, 4.16 A)
 &rst
  ixpk= 4544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=2221,2222,2223,2225,2226,2227,
 igr2=1017,1018,1019,1021,1022,1023,
 &end
#
#   66 ALA  MB           94 ILE  HG1+        6.00    (#   4548:20  Unique         1.90, 4.41 A)
 &rst
  ixpk= 4548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1077,1078,1079,
 igr2=1503,1504,
 &end
#
#  102 LEU  MDY         102 LEU  HG          4.00    (#   4552:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4552, nxpk= 20, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#  136 LEU  HB-         136 LEU  HG          4.00    (#   4555:20  Unique         2.37, 2.64 A)
 &rst
  ixpk= 4555, nxpk= 20, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2139,2140,
 &end
#
#   62 LEU  HB+          62 LEU  HG          4.00    (#   4560:20  Unique         2.33, 2.72 A)
 &rst
  ixpk= 4560, nxpk= 20, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1012,1013,
 &end
#
#  136 LEU  HB-         136 LEU  HG          4.00    (#   4561:20  Unique         2.37, 2.64 A)
 &rst
  ixpk= 4561, nxpk= 20, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2139,2140,
 &end
#
#  136 LEU  MDX         136 LEU  HG          4.00    (#   4562:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4562, nxpk= 20, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#  136 LEU  HA          136 LEU  HG          6.00    (#   4563:20  Unique         2.57, 3.48 A)
 &rst
  ixpk= 4563, nxpk= 20, iat=2137,2142, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 ILE  QG2          90 ILE  HG1-        6.00    (#   4569:20  Unique         2.39, 3.47 A)
 &rst
  ixpk= 4569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1435,1436,1437,
 igr2=1439,1440,
 &end
#
#   90 ILE  QD1          90 ILE  HG1-        5.00    (#   4570:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 4570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1442,1443,1444,
 igr2=1439,1440,
 &end
#
#  136 LEU  MDY         136 LEU  HG          4.00    (#   4571:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4571, nxpk= 20, iat=  -1,2142, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2144,2145,2146,2148,2149,2150,
 &end
#
#   23 ARG  HA           10 LEU  MDX         5.00    (#   4573:20  Unique         2.02, 5.23 A)
 &rst
  ixpk= 4573, nxpk= 20, iat= 361,  -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         4.00    (#   4574:20  Unique         2.23, 3.37 A)
 &rst
  ixpk= 4574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 167, 168,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#    0 AMB  20-2:4575    10 LEU  MDX         3.00    (#   4575:20  Single Ambig)
 &rst
  ixpk= 4575, 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  20-2:4576    10 LEU  MDX         4.00    (#   4576:20  Single Ambig)
 &rst
  ixpk= 4576, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1614,1615, 554, 555, 138, 139,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   22 THR  HB           10 LEU  MDX         6.00    (#   4577:20  Unique         4.92, 7.80 A)
 &rst
  ixpk= 4577, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   90 ILE  QD1          90 ILE  HG1+        5.00    (#   4578:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 4578, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1442,1443,1444,
 igr2=1439,1440,
 &end
#
#   92 GLN  HG+          92 GLN  HB-         5.00    (#   4583:20  Unique         2.27, 2.75 A)
 &rst
  ixpk= 4583, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1469,1470,
 igr2=1466,1467,
 &end
#
#   10 LEU  HA           10 LEU  MDX         5.00    (#   4587:20  Unique         1.98, 3.83 A)
 &rst
  ixpk= 4587, 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
#
#   23 ARG  HB+          10 LEU  MDX         3.00    (#   4589:20  Unique         1.98, 5.05 A)
 &rst
  ixpk= 4589, 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
#
#  102 LEU  MDY          10 LEU  MDX         5.00    (#   4591:20  Unique         1.96, 5.71 A)
 &rst
  ixpk= 4591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   92 GLN  HA           92 GLN  HB+         5.00    (#   4592:20  Unique         2.30, 2.48 A)
 &rst
  ixpk= 4592, nxpk= 20, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1466,1467,
 &end
#
#    0 AMB  20-2:4593     0 AMB  20-1:4593   5.00    (#   4593:20  Double Ambig)
 &rst
  ixpk= 4593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1480,1481,1480,1481,
 igr2=1466,1467,1466,1467,
 &end
#
#   92 GLN  HA           92 GLN  HB-         5.00    (#   4596:20  Unique         2.30, 2.48 A)
 &rst
  ixpk= 4596, nxpk= 20, iat=1464,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1466,1467,
 &end
#
#   64 VAL  MGY          92 GLN  HB-         6.00    (#   4598:20  Unique         2.71, 4.73 A)
 &rst
  ixpk= 4598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1047,1048,1049,1051,1052,1053,
 igr2=1466,1467,
 &end
#
#    0 AMB  20-2:4604    33 LEU  MDX         6.00    (#   4604:20  Single Ambig)
 &rst
  ixpk= 4604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 867, 868, 820,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   35 HIS  HB+          33 LEU  MDX         6.00    (#   4605:20  Unique         1.96, 5.32 A)
 &rst
  ixpk= 4605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 567, 568,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  136 LEU  MDX          33 LEU  MDX         4.00    (#   4606:20  Unique         1.96, 4.16 A)
 &rst
  ixpk= 4606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   10 LEU  HB-          10 LEU  MDX         3.00    (#   4607:20  Unique         2.23, 3.37 A)
 &rst
  ixpk= 4607, 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
#
#    2 LYS  HA          123 LEU  MDX         6.00    (#   4609:20  Unique         2.80, 5.82 A)
 &rst
  ixpk= 4609, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    1 MET  HA          123 LEU  MDX         6.00    (#   4610:20  Unique         4.50, 6.89 A)
 &rst
  ixpk= 4610, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    3 LEU  HA          123 LEU  MDX         4.00    (#   4611:20  Unique         1.93, 4.06 A)
 &rst
  ixpk= 4611, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  115 TYR  HB-         123 LEU  MDX         6.00    (#   4612:20  Unique         1.99, 5.02 A)
 &rst
  ixpk= 4612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1815,1816,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  126 PHE  HB-         123 LEU  MDX         5.00    (#   4613:20  Unique         2.75, 4.59 A)
 &rst
  ixpk= 4613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2004,2005,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  20-2:4614   123 LEU  MDX         4.00    (#   4614:20  Single Ambig)
 &rst
  ixpk= 4614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=  93,  94,  11,  12,  11,  12,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    5 GLN  HB+         123 LEU  MDX         6.00    (#   4615:20  Unique         1.91, 5.19 A)
 &rst
  ixpk= 4615, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  90,  91,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    1 MET  HB-         123 LEU  MDX         4.00    (#   4616:20  Unique         2.03, 5.59 A)
 &rst
  ixpk= 4616, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=   8,   9,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  123 LEU  HB+         123 LEU  MDX         4.00    (#   4617:20  Unique         2.01, 3.36 A)
 &rst
  ixpk= 4617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1944,1945,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  123 LEU  HG          123 LEU  MDX         4.00    (#   4618:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 4618, nxpk= 20, iat=1947,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#   62 LEU  HB+         144 LEU  MDY         6.00    (#   4621:20  Unique         1.99, 4.18 A)
 &rst
  ixpk= 4621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1012,1013,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:4622   144 LEU  MDY         5.00    (#   4622:20  Single Ambig)
 &rst
  ixpk= 4622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.20, r4=10.70,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:4634    92 GLN  HB-         5.00    (#   4634:20  Single Ambig)
 &rst
  ixpk= 4634, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1480,1481,1480,1481,
 igr2=1466,1467,
 &end
#
#   18 ASN  HB+          92 GLN  HB-         6.00    (#   4635:20  Unique         5.77, 6.65 A)
 &rst
  ixpk= 4635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 297, 298,
 igr2=1466,1467,
 &end
#
#   92 GLN  HG-          92 GLN  HB-         5.00    (#   4636:20  Unique         2.27, 2.75 A)
 &rst
  ixpk= 4636, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1469,1470,
 igr2=1466,1467,
 &end
#
#   64 VAL  HB           33 LEU  MDX         5.00    (#   4639:20  Unique         4.52, 7.04 A)
 &rst
  ixpk= 4639, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  HB+          33 LEU  MDX         4.00    (#   4640:20  Unique         2.11, 3.34 A)
 &rst
  ixpk= 4640, 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  MDX         3.00    (#   4641:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 4641, 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
#
#  136 LEU  MDY          33 LEU  MDX         4.00    (#   4644:20  Unique         1.96, 4.16 A)
 &rst
  ixpk= 4644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  141 ASN  HA          144 LEU  MDY         4.00    (#   4645:20  Unique         1.96, 3.86 A)
 &rst
  ixpk= 4645, nxpk= 20, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#  144 LEU  HA          144 LEU  MDY         5.00    (#   4646:20  Unique         2.00, 3.95 A)
 &rst
  ixpk= 4646, nxpk= 20, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:4647   144 LEU  MDY         4.00    (#   4647:20  Single Ambig)
 &rst
  ixpk= 4647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1012,1013,2289,2290,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#  144 LEU  HG          144 LEU  MDY         3.00    (#   4648:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 4648, nxpk= 20, iat=2292,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#  144 LEU  HB-         144 LEU  MDY         4.00    (#   4649:20  Unique         2.02, 3.28 A)
 &rst
  ixpk= 4649, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2289,2290,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#   26 LEU  HA           26 LEU  HG          5.00    (#   4653:20  Unique         2.50, 2.73 A)
 &rst
  ixpk= 4653, nxpk= 20, iat= 417, 422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 VAL  MGX          26 LEU  HG          4.00    (#   4654:20  Unique         2.00, 3.96 A)
 &rst
  ixpk= 4654, nxpk= 20, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  20-2:4660    33 LEU  MDX         5.00    (#   4660:20  Single Ambig)
 &rst
  ixpk= 4660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1836, 548,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   35 HIS  HB+          33 LEU  MDX         6.00    (#   4661:20  Unique         1.96, 5.32 A)
 &rst
  ixpk= 4661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 567, 568,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  115 TYR  HB-         123 LEU  MDX         6.00    (#   4662:20  Unique         1.99, 5.02 A)
 &rst
  ixpk= 4662, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1815,1816,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  20-2:4663   144 LEU  MDY         5.00    (#   4663:20  Single Ambig)
 &rst
  ixpk= 4663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 995, 996, 998, 999,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#   82 LYS  HA           17 LEU  MDX         4.00    (#   4671:20  Unique         1.95, 3.03 A)
 &rst
  ixpk= 4671, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#   82 LYS  HB-          17 LEU  MDX         3.00    (#   4672:20  Unique         1.96, 4.66 A)
 &rst
  ixpk= 4672, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1318,1319,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#    0 AMB  20-2:4673    17 LEU  MDX         3.00    (#   4673:20  Single Ambig)
 &rst
  ixpk= 4673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1321,1322, 278, 279, 281,1299,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#   81 ILE  QD1          17 LEU  MDX         5.00    (#   4675:20  Unique         3.56, 7.54 A)
 &rst
  ixpk= 4675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1308,1309,1310,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#  139 ARG  HA          139 ARG  HG+         4.00    (#   4682:20  Unique         2.28, 3.11 A)
 &rst
  ixpk= 4682, nxpk= 20, iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2198,2199,
 &end
#
#   17 LEU  HB-          17 LEU  MDX         3.00    (#   4687:20  Unique         2.11, 3.44 A)
 &rst
  ixpk= 4687, 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    (#   4688:20  Unique         1.97, 4.63 A)
 &rst
  ixpk= 4688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1301,1302,1303,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#    0 AMB  20-2:4692     0 AMB  20-1:4692   6.00    (#   4692:20  Double Ambig)
 &rst
  ixpk= 4692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=2109,2110,2182,2183,
 igr2=2106,2107,2106,2107,
 &end
#
#    0 AMB  20-2:4693     0 AMB  20-1:4693   5.00    (#   4693:20  Double Ambig)
 &rst
  ixpk= 4693, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
 igr1=1794,1795,2109,2110,
 igr2=2144,2145,2146,2148,2149,2150,2106,2107,
 &end
#
#  114 TYR  HB+         136 LEU  MDY         6.00    (#   4694:20  Unique         1.97, 3.70 A)
 &rst
  ixpk= 4694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1794,1795,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  20-2:4695     0 AMB  20-1:4695   5.00    (#   4695:20  Double Ambig)
 &rst
  ixpk= 4695, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
 igr1=2083,2084, 805, 806,
 igr2=2144,2145,2146,2148,2149,2150,2106,2107,
 &end
#
#  140 VAL  HA          139 ARG  HG+         6.00    (#   4709:20  Unique         3.68, 5.83 A)
 &rst
  ixpk= 4709, nxpk= 20, iat=2217,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2198,2199,
 &end
#
#  114 TYR  HB+         139 ARG  HG+         6.00    (#   4710:20  Unique         6.27, 7.70 A)
 &rst
  ixpk= 4710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1794,1795,
 igr2=2198,2199,
 &end
#
#   73 GLU  HG+          76 LEU  MDY         4.00    (#   4711:20  Unique         2.15, 5.81 A)
 &rst
  ixpk= 4711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1189,1190,
 igr2=1230,1231,1232,1234,1235,1236,
 &end
#
#    0 AMB  20-2:4712    76 LEU  MDY         3.00    (#   4712:20  Single Ambig)
 &rst
  ixpk= 4712, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1140,1141,1186,1187,
 igr2=1230,1231,1232,1234,1235,1236,
 &end
#
#   76 LEU  HG           76 LEU  MDY         3.00    (#   4713:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4713, nxpk= 20, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1230,1231,1232,1234,1235,1236,
 &end
#
#   76 LEU  HB-          76 LEU  MDY         3.00    (#   4714:20  Unique         2.15, 3.33 A)
 &rst
  ixpk= 4714, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1225,1226,
 igr2=1230,1231,1232,1234,1235,1236,
 &end
#
#  131 SER  HB-          43 LEU  MDY         5.00    (#   4715:20  Unique         2.25, 5.93 A)
 &rst
  ixpk= 4715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2065,2066,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#  112 PRO  HD+          43 LEU  MDY         5.00    (#   4716:20  Unique         2.53, 5.47 A)
 &rst
  ixpk= 4716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1767,1768,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:4717     0 AMB  20-1:4717   3.00    (#   4717:20  Double Ambig)
 &rst
  ixpk= 4717, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 697, 698,1140,1141,1770,1771,1770,1771,
 igr2= 702, 703, 704, 706, 707, 708,1230,1231,1232,1234,
      1235,1236,
 &end
#
#  133 MET  HA          136 LEU  MDY         6.00    (#   4723:20  Unique         3.32, 5.87 A)
 &rst
  ixpk= 4723, nxpk= 20, iat=2081,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#  136 LEU  HA          136 LEU  MDY         5.00    (#   4724:20  Unique         2.15, 3.85 A)
 &rst
  ixpk= 4724, nxpk= 20, iat=2137,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  20-2:4725   136 LEU  MDY         6.00    (#   4725:20  Single Ambig)
 &rst
  ixpk= 4725, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=2129,2130,2131,2158,2159,1836,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#  136 LEU  HB-         136 LEU  MDY         4.00    (#   4726:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 4726, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2139,2140,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  20-2:4727   136 LEU  MDY         3.00    (#   4727:20  Single Ambig)
 &rst
  ixpk= 4727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 534, 535, 536, 538, 539, 540,2139,2140,2142,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#  111 VAL  MGX         113 ALA  MB          4.00    (#   4741:20  Unique         3.22, 6.52 A)
 &rst
  ixpk= 4741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1784,1785,1786,
 &end
#
#    0 AMB  20-2:4742     0 AMB  20-1:4742   4.00    (#   4742:20  Double Ambig)
 &rst
  ixpk= 4742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1244,1245,2109,2110,2201,2202,
 igr2=1280,1281,2106,2107,2198,2199,
 &end
#
#  140 VAL  MGX         136 LEU  MDY         4.00    (#   4756:20  Unique         1.97, 5.54 A)
 &rst
  ixpk= 4756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2221,2222,2223,2225,2226,2227,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#  138 LYS  HA          138 LYS  HG+         4.00    (#   4767:20  Unique         2.64, 3.70 A)
 &rst
  ixpk= 4767, nxpk= 20, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2176,2177,
 &end
#
#   80 LYS  HA           80 LYS  HG+         3.00    (#   4768:20  Unique         2.19, 2.83 A)
 &rst
  ixpk= 4768, nxpk= 20, iat=1275,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1280,1281,
 &end
#
#    0 AMB  20-2:4769     0 AMB  20-1:4769   3.00    (#   4769:20  Double Ambig)
 &rst
  ixpk= 4769, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1277,1278,2173,2174, 727, 728,
 igr2=1280,1281,2176,2177, 730, 731,
 &end
#
#  138 LYS  HA          138 LYS  HG-         4.00    (#   4775:20  Unique         2.64, 3.70 A)
 &rst
  ixpk= 4775, nxpk= 20, iat=2171,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2176,2177,
 &end
#
#    0 AMB  20-2:4777     0 AMB  20-1:4777   3.00    (#   4777:20  Double Ambig)
 &rst
  ixpk= 4777, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1225,1226,  47,  48,  50,
 igr2=1230,1231,1232,1234,1235,1236,  52,  53,  54,  56,
        57,  58,
 &end
#
#  111 VAL  HA          113 ALA  MB          5.00    (#   4801:20  Unique         2.66, 3.86 A)
 &rst
  ixpk= 4801, nxpk= 20, iat=1752,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1784,1785,1786,
 &end
#
#    0 AMB  20-2:4802   113 ALA  MB          4.00    (#   4802:20  Single Ambig)
 &rst
  ixpk= 4802, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1733,1734, 584, 585,
 igr2=1784,1785,1786,
 &end
#
#    0 AMB  20-2:4803   113 ALA  MB          4.00    (#   4803:20  Single Ambig)
 &rst
  ixpk= 4803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1733,1734, 584, 585,
 igr2=1784,1785,1786,
 &end
#
#   82 LYS  HA           82 LYS  HG+         4.00    (#   4807:20  Unique         2.04, 3.02 A)
 &rst
  ixpk= 4807, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1321,1322,
 &end
#
#   82 LYS  HB+          82 LYS  HG+         3.00    (#   4808:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 4808, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1318,1319,
 igr2=1321,1322,
 &end
#
#    0 AMB  20-2:4809     0 AMB  20-1:4809   3.00    (#   4809:20  Double Ambig)
 &rst
  ixpk= 4809, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1286,1287, 736, 737,
 igr2=1280,1281, 730, 731,
 &end
#
#    0 AMB  20-2:4810     0 AMB  20-1:4810   3.00    (#   4810:20  Double Ambig)
 &rst
  ixpk= 4810, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1324,1325,1283,1284,1283,1284, 733, 734,
 igr2=1321,1322,1280,1281,1280,1281, 730, 731,
 &end
#
#   39 ILE  QD1          39 ILE  HG1-        4.00    (#   4813:20  Unique         2.27, 2.67 A)
 &rst
  ixpk= 4813, 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
#
#   80 LYS  HA           80 LYS  HG-         3.00    (#   4814:20  Unique         2.19, 2.83 A)
 &rst
  ixpk= 4814, nxpk= 20, iat=1275,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1280,1281,
 &end
#
#  136 LEU  MDX          33 LEU  MDY         4.00    (#   4820:20  Unique         1.96, 4.16 A)
 &rst
  ixpk= 4820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  136 LEU  MDY          33 LEU  MDY         4.00    (#   4821:20  Unique         1.96, 4.16 A)
 &rst
  ixpk= 4821, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#    3 LEU  HA            3 LEU  MDX         4.00    (#   4822:20  Unique         1.98, 3.89 A)
 &rst
  ixpk= 4822, 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         4.00    (#   4823:20  Unique         2.18, 3.32 A)
 &rst
  ixpk= 4823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=  47,  48,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   17 LEU  MDY          82 LYS  HG-         3.00    (#   4851:20  Unique         1.94, 4.16 A)
 &rst
  ixpk= 4851, 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=1321,1322,
 &end
#
#    1 MET  HA            2 LYS  HG-         5.00    (#   4855:20  Unique         2.89, 4.49 A)
 &rst
  ixpk= 4855, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  28,  29,
 &end
#
#    0 AMB  20-2:4856    39 ILE  HG1-        4.00    (#   4856:20  Single Ambig)
 &rst
  ixpk= 4856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 736, 737,1286,1287,
 igr2= 645, 646,
 &end
#
#    5 GLN  HB+           2 LYS  HG-         6.00    (#   4857:20  Unique         3.89, 6.20 A)
 &rst
  ixpk= 4857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  90,  91,
 igr2=  28,  29,
 &end
#
#   35 HIS  HB-          33 LEU  MDY         5.00    (#   4862:20  Unique         1.96, 5.32 A)
 &rst
  ixpk= 4862, 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    (#   4863:20  Unique         1.96, 5.32 A)
 &rst
  ixpk= 4863, 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         4.00    (#   4864:20  Unique         2.28, 4.74 A)
 &rst
  ixpk= 4864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1794,1795,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#  114 TYR  HB+          33 LEU  MDY         5.00    (#   4865:20  Unique         2.28, 4.74 A)
 &rst
  ixpk= 4865, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1794,1795,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  HB+          33 LEU  MDY         4.00    (#   4866:20  Unique         2.11, 3.34 A)
 &rst
  ixpk= 4866, 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
#
#    0 AMB  20-2:4867    33 LEU  MDY         5.00    (#   4867:20  Single Ambig)
 &rst
  ixpk= 4867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1836, 548,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  HG           33 LEU  MDY         3.00    (#   4868:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 4868, 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
#
#   33 LEU  HB-          33 LEU  MDY         3.00    (#   4869:20  Unique         2.11, 3.34 A)
 &rst
  ixpk= 4869, 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
#
#  112 PRO  HB-           0 AMB  20-1:4887   4.00    (#   4887:20  Single Ambig)
 &rst
  ixpk= 4887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1773,1774,
 igr2=1770,1771,1770,1771,
 &end
#
#   78 PRO  HA           14 LYS  HG+         6.00    (#   4892:20  Unique         5.01, 5.76 A)
 &rst
  ixpk= 4892, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 225, 226,
 &end
#
#    0 AMB  20-2:4893     0 AMB  20-1:4893   4.00    (#   4893:20  Double Ambig)
 &rst
  ixpk= 4893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=  23, 656,
 igr2=  28,  29, 645, 646,
 &end
#
#    5 GLN  HG+           2 LYS  HG-         5.00    (#   4894:20  Unique         2.05, 4.72 A)
 &rst
  ixpk= 4894, 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  20-2:4895     0 AMB  20-1:4895   4.00    (#   4895:20  Double Ambig)
 &rst
  ixpk= 4895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=  69,  70,1283,1284,
 igr2=  28,  29, 645, 646,
 &end
#
#   38 SER  HA           39 ILE  HG1-        5.00    (#   4896:20  Unique         4.21, 4.82 A)
 &rst
  ixpk= 4896, nxpk= 20, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 645, 646,
 &end
#
#    0 AMB  20-2:4897     0 AMB  20-1:4897   6.00    (#   4897:20  Double Ambig)
 &rst
  ixpk= 4897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=2350,2351,1103,1104,
 igr2= 482, 483, 645, 646,
 &end
#
#    0 AMB  20-2:4898     0 AMB  20-1:4898   4.00    (#   4898:20  Double Ambig)
 &rst
  ixpk= 4898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 464, 465, 639,
 igr2= 482, 483, 645, 646,
 &end
#
#    0 AMB  20-2:4899     0 AMB  20-1:4899   5.00    (#   4899:20  Double Ambig)
 &rst
  ixpk= 4899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 993, 656,
 igr2= 482, 483, 645, 646,
 &end
#
#   29 GLU  HG-          30 LYS  HG+         5.00    (#   4900:20  Unique         1.98, 4.30 A)
 &rst
  ixpk= 4900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 467, 468,
 igr2= 482, 483,
 &end
#
#   29 GLU  HG+          30 LYS  HG+         5.00    (#   4901:20  Unique         1.98, 4.30 A)
 &rst
  ixpk= 4901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 467, 468,
 igr2= 482, 483,
 &end
#
#    0 AMB  20-2:4905     0 AMB  20-1:4905   3.00    (#   4905:20  Double Ambig)
 &rst
  ixpk= 4905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1767,1768,1767,1768,
 igr2=1770,1771,1770,1771,
 &end
#
#   75 ASP  HB-          39 ILE  HG1+        4.00    (#   4910:20  Unique         1.97, 3.81 A)
 &rst
  ixpk= 4910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1213,1214,
 igr2= 645, 646,
 &end
#
#   57 LYS  HA           57 LYS  HG-         4.00    (#   4914:20  Unique         1.94, 2.62 A)
 &rst
  ixpk= 4914, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 926, 927,
 &end
#
#   57 LYS  HE-          57 LYS  HG-         4.00    (#   4915:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 4915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 932, 933,
 igr2= 926, 927,
 &end
#
#   57 LYS  HB-          57 LYS  HG+         4.00    (#   4920:20  Unique         2.26, 2.74 A)
 &rst
  ixpk= 4920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 923, 924,
 igr2= 926, 927,
 &end
#
#   57 LYS  HA           57 LYS  HG+         4.00    (#   4921:20  Unique         1.94, 2.62 A)
 &rst
  ixpk= 4921, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 926, 927,
 &end
#
#   57 LYS  HE-          57 LYS  HG+         4.00    (#   4922:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 4922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 932, 933,
 igr2= 926, 927,
 &end
#
#    0 AMB  20-2:4923     0 AMB  20-1:4923   3.00    (#   4923:20  Double Ambig)
 &rst
  ixpk= 4923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 923, 924, 929, 930,
 igr2= 926, 927, 926, 927,
 &end
#
#   14 LYS  HA           14 LYS  HG+         4.00    (#   4929:20  Unique         2.36, 3.07 A)
 &rst
  ixpk= 4929, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 225, 226,
 &end
#
#  102 LEU  HG          102 LEU  MDY         6.00    (#   4940:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 4940, nxpk= 20, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#   78 PRO  HA           14 LYS  HG+         5.00    (#   4941:20  Unique         5.01, 5.76 A)
 &rst
  ixpk= 4941, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 225, 226,
 &end
#
#   98 SER  HB+          14 LYS  HG+         5.00    (#   4942:20  Unique         3.14, 5.72 A)
 &rst
  ixpk= 4942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1564,1565,
 igr2= 225, 226,
 &end
#
#  102 LEU  HB-         102 LEU  MDY         5.00    (#   4949:20  Unique         1.95, 3.31 A)
 &rst
  ixpk= 4949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1614,1615,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#   10 LEU  MDY         102 LEU  MDY         5.00    (#   4951:20  Unique         1.96, 5.71 A)
 &rst
  ixpk= 4951, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 172, 173, 174, 176, 177, 178,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#    1 MET  ME          123 LEU  MDY         5.00    (#   4961:20  Unique         1.96, 5.80 A)
 &rst
  ixpk= 4961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  15,  16,  17,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#   61 GLN  HA          144 LEU  MDX         4.00    (#   4965:20  Unique         3.53, 5.26 A)
 &rst
  ixpk= 4965, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:4968   144 LEU  MDX         5.00    (#   4968:20  Single Ambig)
 &rst
  ixpk= 4968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 945, 946, 504, 505,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:4969   144 LEU  MDX         4.00    (#   4969:20  Single Ambig)
 &rst
  ixpk= 4969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 995, 996, 998, 999,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:4970   144 LEU  MDX         3.00    (#   4970:20  Single Ambig)
 &rst
  ixpk= 4970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 501, 502, 995, 996,1012,1013,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:4973     0 AMB  20-1:4973   5.00    (#   4973:20  Double Ambig)
 &rst
  ixpk= 4973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=2156,1767,1768,
 igr2=2221,2222,2223,2225,2226,2227,1756,1757,1758,1760,
      1761,1762,
 &end
#
#    0 AMB  20-2:4974     0 AMB  20-1:4974   4.00    (#   4974:20  Double Ambig)
 &rst
  ixpk= 4974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1= 628, 629,2217,1587,1588,
 igr2=1756,1757,1758,1760,1761,1762,2221,2222,2223,2225,
      2226,2227,1619,1620,1621,1623,1624,1625,
 &end
#
#  136 LEU  MDY         140 VAL  MGX         5.00    (#   4975:20  Unique         1.97, 5.54 A)
 &rst
  ixpk= 4975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  115 TYR  HB+         123 LEU  MDY         5.00    (#   4977:20  Unique         1.99, 5.02 A)
 &rst
  ixpk= 4977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1815,1816,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  20-2:4978   123 LEU  MDY         4.00    (#   4978:20  Single Ambig)
 &rst
  ixpk= 4978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1944,1945,   8,   9,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#  123 LEU  HG          123 LEU  MDY         4.00    (#   4979:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 4979, nxpk= 20, iat=1947,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1949,1950,1951,1953,1954,1955,
 &end
#
#    0 AMB  20-2:4980     0 AMB  20-1:4980   5.00    (#   4980:20  Double Ambig)
 &rst
  ixpk= 4980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2345,1882,
 igr2=1887,1888,1887,1888,
 &end
#
#  144 LEU  HA          144 LEU  MDX         4.00    (#   4988:20  Unique         2.00, 3.95 A)
 &rst
  ixpk= 4988, nxpk= 20, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2294,2295,2296,2298,2299,2300,
 &end
#
#    0 AMB  20-2:5000     0 AMB  20-1:5000   4.00    (#   5000:20  Double Ambig)
 &rst
  ixpk= 5000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 529, 530, 155, 156,
 igr2=1017,1018,1019,1021,1022,1023,1619,1620,1621,1623,
      1624,1625,
 &end
#
#    0 AMB  20-2:5001     0 AMB  20-1:5001   4.00    (#   5001:20  Double Ambig)
 &rst
  ixpk= 5001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1= 167, 168,1552,1553,2273, 548,
 igr2=1619,1620,1621,1623,1624,1625,2221,2222,2223,2225,
      2226,2227,
 &end
#
#    0 AMB  20-2:5002     0 AMB  20-1:5002   3.00    (#   5002:20  Double Ambig)
 &rst
  ixpk= 5002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=1012,1013,1754,2219, 501, 502, 504, 505,
 igr2=2221,2222,2223,2225,2226,2227,1017,1018,1019,1021,
      1022,1023,1756,1757,1758,1760,1761,1762,
 &end
#
#    0 AMB  20-2:5003     0 AMB  20-1:5003   3.00    (#   5003:20  Double Ambig)
 &rst
  ixpk= 5003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 534, 535, 536, 538, 539, 540,1047,1048,1049,1051,
      1052,1053,1012,1013,1012,1013,
 igr2=2221,2222,2223,2225,2226,2227,1017,1018,1019,1021,
      1022,1023,
 &end
#
#    0 AMB  20-2:5005     0 AMB  20-1:5005   3.00    (#   5005:20  Double Ambig)
 &rst
  ixpk= 5005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1120,1121, 170,  15,  16,  17,
 igr2=1756,1757,1758,1760,1761,1762,1619,1620,1621,1623,
      1624,1625,
 &end
#
#    0 AMB  20-2:5006     0 AMB  20-1:5006   3.00    (#   5006:20  Double Ambig)
 &rst
  ixpk= 5006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 529, 530,1617,
 igr2=1017,1018,1019,1021,1022,1023,2221,2222,2223,2225,
      2226,2227,1619,1620,1621,1623,1624,1625,
 &end
#
#   10 LEU  HA          102 LEU  MDX         4.00    (#   5007:20  Unique         1.99, 4.71 A)
 &rst
  ixpk= 5007, nxpk= 20, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#    0 AMB  20-2:5008   102 LEU  MDX         3.00    (#   5008:20  Single Ambig)
 &rst
  ixpk= 5008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1612,1585,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#   23 ARG  HA           10 LEU  MDY         6.00    (#   5009:20  Unique         2.02, 5.23 A)
 &rst
  ixpk= 5009, nxpk= 20, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#  102 LEU  HA           10 LEU  MDY         5.00    (#   5010:20  Unique         3.60, 6.75 A)
 &rst
  ixpk= 5010, nxpk= 20, iat=1612,  -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  MDY         4.00    (#   5011:20  Unique         2.23, 3.37 A)
 &rst
  ixpk= 5011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 167, 168,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   23 ARG  HB+          10 LEU  MDY         4.00    (#   5012:20  Unique         1.98, 5.05 A)
 &rst
  ixpk= 5012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 363, 364,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#    0 AMB  20-2:5013    10 LEU  MDY         3.00    (#   5013:20  Single Ambig)
 &rst
  ixpk= 5013, 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
#
#  136 LEU  HA          136 LEU  MDX         3.00    (#   5017:20  Unique         2.15, 3.85 A)
 &rst
  ixpk= 5017, nxpk= 20, iat=2137,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  20-2:5018     0 AMB  20-1:5018   4.00    (#   5018:20  Double Ambig)
 &rst
  ixpk= 5018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1794,1795,2004,2005,
 igr2=2144,2145,2146,2148,2149,2150,1949,1950,1951,1953,
      1954,1955,
 &end
#
#    0 AMB  20-2:5019     0 AMB  20-1:5019   4.00    (#   5019:20  Double Ambig)
 &rst
  ixpk= 5019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1=2129,2130,2131,2158,2159,1836,
 igr2=2144,2145,2146,2148,2149,2150,1949,1950,1951,1953,
      1954,1955,
 &end
#
#  136 LEU  HB-         136 LEU  MDX         4.00    (#   5020:20  Unique         2.05, 3.38 A)
 &rst
  ixpk= 5020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2139,2140,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  20-2:5021     0 AMB  20-1:5021   3.00    (#   5021:20  Double Ambig)
 &rst
  ixpk= 5021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1944,1945,2198,2199,
 igr2=1949,1950,1951,1953,1954,1955,2144,2145,2146,2148,
      2149,2150,
 &end
#
#    0 AMB  20-2:5029     0 AMB  20-1:5029   4.00    (#   5029:20  Double Ambig)
 &rst
  ixpk= 5029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=2049,2050, 772,
 igr2= 702, 703, 704, 706, 707, 708, 824, 825, 826, 828,
       829, 830,
 &end
#
#   51 VAL  HA           51 VAL  MGY         4.00    (#   5030:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 5030, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#    0 AMB  20-2:5032     0 AMB  20-1:5032   4.00    (#   5032:20  Double Ambig)
 &rst
  ixpk= 5032, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=2065,2066,1253,1254,
 igr2= 702, 703, 704, 706, 707, 708,1230,1231,1232,1234,
      1235,1236,
 &end
#
#    0 AMB  20-2:5037     0 AMB  20-1:5037   5.00    (#   5037:20  Double Ambig)
 &rst
  ixpk= 5037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 716, 717, 498, 499, 885,
 igr2=1756,1757,1758,1760,1761,1762,1017,1018,1019,1021,
      1022,1023,
 &end
#
#    0 AMB  20-2:5038     0 AMB  20-1:5038   5.00    (#   5038:20  Double Ambig)
 &rst
  ixpk= 5038, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1= 945, 946,1669,1670,
 igr2=1017,1018,1019,1021,1022,1023,1619,1620,1621,1623,
      1624,1625,
 &end
#
#   36 PHE  HB+         111 VAL  MGX         4.00    (#   5040:20  Unique         1.96, 4.33 A)
 &rst
  ixpk= 5040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 584, 585,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   36 PHE  HB-         111 VAL  MGX         4.00    (#   5041:20  Unique         1.96, 4.33 A)
 &rst
  ixpk= 5041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 584, 585,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   10 LEU  HA           10 LEU  MDY         4.00    (#   5042:20  Unique         1.98, 3.83 A)
 &rst
  ixpk= 5042, nxpk= 20, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#   34 ILE  HG1+         10 LEU  MDY         5.00    (#   5043:20  Unique         2.47, 5.75 A)
 &rst
  ixpk= 5043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 554, 555,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#    0 AMB  20-2:5044    10 LEU  MDY         3.00    (#   5044:20  Single Ambig)
 &rst
  ixpk= 5044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1614,1615, 554, 555, 138, 139,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#  102 LEU  MDY          10 LEU  MDY         4.00    (#   5046:20  Unique         1.96, 5.71 A)
 &rst
  ixpk= 5046, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#  114 TYR  HB+         136 LEU  MDX         5.00    (#   5047:20  Unique         1.97, 3.70 A)
 &rst
  ixpk= 5047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1794,1795,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  20-2:5048   136 LEU  MDX         3.00    (#   5048:20  Single Ambig)
 &rst
  ixpk= 5048, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 534, 535, 536, 538, 539, 540,2139,2140,2142,
 igr2=2144,2145,2146,2148,2149,2150,
 &end
#
#    0 AMB  20-2:5055    51 VAL  MGY         3.00    (#   5055:20  Single Ambig)
 &rst
  ixpk= 5055, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 822, 890, 891,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#   43 LEU  HA           43 LEU  MDX         3.00    (#   5062:20  Unique         1.99, 3.83 A)
 &rst
  ixpk= 5062, nxpk= 20, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   72 SER  HA           76 LEU  MDX         6.00    (#   5063:20  Unique         3.77, 6.93 A)
 &rst
  ixpk= 5063, nxpk= 20, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1230,1231,1232,1234,1235,1236,
 &end
#
#  131 SER  HB-          43 LEU  MDX         4.00    (#   5064:20  Unique         2.25, 5.93 A)
 &rst
  ixpk= 5064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2065,2066,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   46 GLU  HG-          43 LEU  MDX         6.00    (#   5065:20  Unique         2.72, 5.87 A)
 &rst
  ixpk= 5065, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 752, 753,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   43 LEU  HB+          43 LEU  MDX         3.00    (#   5066:20  Unique         1.98, 3.32 A)
 &rst
  ixpk= 5066, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 697, 698,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   14 LYS  HE+          96 VAL  MGX         5.00    (#   5069:20  Unique         2.03, 5.01 A)
 &rst
  ixpk= 5069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 231, 232,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   81 ILE  QG2           0 AMB  20-1:5070   5.00    (#   5070:20  Single Ambig)
 &rst
  ixpk= 5070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=1301,1302,1303,
 igr2= 283, 284, 285, 287, 288, 289,1538,1539,1540,1542,
      1543,1544,
 &end
#
#   75 ASP  HB+          96 VAL  MGX         6.00    (#   5072:20  Unique         4.46, 7.82 A)
 &rst
  ixpk= 5072, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1213,1214,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   14 LYS  HB-          96 VAL  MGX         3.00    (#   5073:20  Unique         2.44, 5.38 A)
 &rst
  ixpk= 5073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 222, 223,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   78 PRO  HB-          96 VAL  MGX         3.00    (#   5074:20  Unique         2.32, 5.21 A)
 &rst
  ixpk= 5074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1259,1260,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   17 LEU  HB-          17 LEU  MDY         3.00    (#   5075:20  Unique         2.11, 3.44 A)
 &rst
  ixpk= 5075, 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
#
#  112 PRO  HD-          43 LEU  MDX         5.00    (#   5076:20  Unique         2.53, 5.47 A)
 &rst
  ixpk= 5076, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1767,1768,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  20-2:5078    64 VAL  MGY         4.00    (#   5078:20  Single Ambig)
 &rst
  ixpk= 5078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1469,1470, 966, 967,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   14 LYS  HE+          96 VAL  MGX         5.00    (#   5082:20  Unique         2.03, 5.01 A)
 &rst
  ixpk= 5082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 231, 232,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#    0 AMB  20-2:5084    17 LEU  MDY         3.00    (#   5084:20  Single Ambig)
 &rst
  ixpk= 5084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1321,1322, 278, 279, 281,1299,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#   92 GLN  HG+          64 VAL  MGY         5.00    (#   5091:20  Unique         2.84, 6.00 A)
 &rst
  ixpk= 5091, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1469,1470,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   64 VAL  HB           64 VAL  MGY         3.00    (#   5092:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 5092, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   51 VAL  MGX          64 VAL  MGY         5.00    (#   5094:20  Unique         3.00, 6.85 A)
 &rst
  ixpk= 5094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 824, 825, 826, 828, 829, 830,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  20-2:5095   128 ALA  MB          5.00    (#   5095:20  Single Ambig)
 &rst
  ixpk= 5095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1770,1771,1773,1774,2024,2025,
 igr2=2041,2042,2043,
 &end
#
#  110 TYR  HB-         128 ALA  MB          4.00    (#   5096:20  Unique         2.60, 4.13 A)
 &rst
  ixpk= 5096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1733,1734,
 igr2=2041,2042,2043,
 &end
#
#  113 ALA  MB          128 ALA  MB          4.00    (#   5097:20  Unique         1.99, 3.61 A)
 &rst
  ixpk= 5097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1784,1785,1786,
 igr2=2041,2042,2043,
 &end
#
#   32 THR  HB           32 THR  MG2         4.00    (#   5098:20  Unique         2.29, 2.69 A)
 &rst
  ixpk= 5098, nxpk= 20, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 517, 518, 519,
 &end
#
#   63 ASN  HB-          32 THR  MG2         5.00    (#   5099:20  Unique         3.03, 4.85 A)
 &rst
  ixpk= 5099, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1031,1032,
 igr2= 517, 518, 519,
 &end
#
#   63 ASN  HB+          32 THR  MG2         4.00    (#   5100:20  Unique         3.03, 4.85 A)
 &rst
  ixpk= 5100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1031,1032,
 igr2= 517, 518, 519,
 &end
#
#  144 LEU  HA          143 VAL  MGX         6.00    (#   5101:20  Unique         3.12, 5.18 A)
 &rst
  ixpk= 5101, nxpk= 20, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  143 VAL  HA          143 VAL  MGX         3.00    (#   5102:20  Unique         1.98, 3.21 A)
 &rst
  ixpk= 5102, nxpk= 20, iat=2271,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  140 VAL  HA          143 VAL  MGX         4.00    (#   5103:20  Unique         3.68, 4.89 A)
 &rst
  ixpk= 5103, nxpk= 20, iat=2217,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#    0 AMB  20-2:5104   143 VAL  MGX         6.00    (#   5104:20  Single Ambig)
 &rst
  ixpk= 5104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1872,1873,2201,2202,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#    0 AMB  20-2:5105   143 VAL  MGX         3.00    (#   5105:20  Single Ambig)
 &rst
  ixpk= 5105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2273,2318,2319,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  124 ARG  HG-         143 VAL  MGX         4.00    (#   5106:20  Unique         1.99, 4.76 A)
 &rst
  ixpk= 5106, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1966,1967,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  124 ARG  HB-         143 VAL  MGX         4.00    (#   5107:20  Unique         2.12, 4.56 A)
 &rst
  ixpk= 5107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1963,1964,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#   68 HIS  HB-          96 VAL  MGX         6.00    (#   5109:20  Unique         1.96, 4.17 A)
 &rst
  ixpk= 5109, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1103,1104,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   81 ILE  QG2           0 AMB  20-1:5110   4.00    (#   5110:20  Single Ambig)
 &rst
  ixpk= 5110, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1301,1302,1303,
 igr2= 283, 284, 285, 287, 288, 289,1538,1539,1540,1542,
      1543,1544,
 &end
#
#    0 AMB  20-2:5111    96 VAL  MGX         3.00    (#   5111:20  Single Ambig)
 &rst
  ixpk= 5111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=1103,1104,1536,1259,1260,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   81 ILE  HG1+         96 VAL  MGX         5.00    (#   5112:20  Unique         2.96, 6.22 A)
 &rst
  ixpk= 5112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1305,1306,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   81 ILE  QD1          96 VAL  MGX         4.00    (#   5113:20  Unique         1.92, 5.14 A)
 &rst
  ixpk= 5113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1308,1309,1310,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#  111 VAL  HA          128 ALA  MB          5.00    (#   5116:20  Unique         4.28, 5.68 A)
 &rst
  ixpk= 5116, nxpk= 20, iat=1752,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=2041,2042,2043,
 &end
#
#    0 AMB  20-2:5117   128 ALA  MB          5.00    (#   5117:20  Single Ambig)
 &rst
  ixpk= 5117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2022,2049,2050,
 igr2=2041,2042,2043,
 &end
#
#  110 TYR  HB+         128 ALA  MB          4.00    (#   5118:20  Unique         2.60, 4.13 A)
 &rst
  ixpk= 5118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1733,1734,
 igr2=2041,2042,2043,
 &end
#
#  119 LYS  HE+         120 THR  MG2         5.00    (#   5120:20  Unique         2.36, 5.23 A)
 &rst
  ixpk= 5120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1893,1894,
 igr2=1908,1909,1910,
 &end
#
#   34 ILE  HG1+         32 THR  MG2         3.00    (#   5121:20  Unique         2.39, 3.39 A)
 &rst
  ixpk= 5121, 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  HB+          32 THR  MG2         4.00    (#   5122:20  Unique         1.97, 4.04 A)
 &rst
  ixpk= 5122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 419, 420,
 igr2= 517, 518, 519,
 &end
#
#  122 GLN  HB+         120 THR  MG2         4.00    (#   5123:20  Unique         2.00, 4.25 A)
 &rst
  ixpk= 5123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1927,1928,
 igr2=1908,1909,1910,
 &end
#
#    0 AMB  20-2:5124    66 ALA  MB          3.00    (#   5124:20  Single Ambig)
 &rst
  ixpk= 5124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1499,1500,1501, 824, 825, 826, 828, 829, 830,
 igr2=1077,1078,1079,
 &end
#
#    0 AMB  20-2:5125     0 AMB  20-1:5125   3.00    (#   5125:20  Double Ambig)
 &rst
  ixpk= 5125, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1503,1504, 424, 425, 426, 428, 429, 430,
 igr2=1077,1078,1079, 517, 518, 519,
 &end
#
#    0 AMB  20-2:5127   103 THR  MG2         6.00    (#   5127:20  Single Ambig)
 &rst
  ixpk= 5127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1123,1124,1647,1648,
 igr2=1635,1636,1637,
 &end
#
#  108 ASN  HB+         103 THR  MG2         3.00    (#   5128:20  Unique         2.02, 3.89 A)
 &rst
  ixpk= 5128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1704,1705,
 igr2=1635,1636,1637,
 &end
#
#   69 MET  ME          103 THR  MG2         5.00    (#   5130:20  Unique         3.29, 5.68 A)
 &rst
  ixpk= 5130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1127,1128,1129,
 igr2=1635,1636,1637,
 &end
#
#    0 AMB  20-2:5132   143 VAL  MGX         4.00    (#   5132:20  Single Ambig)
 &rst
  ixpk= 5132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1=2294,2295,2296,2298,2299,2300,2221,2222,2223,2225,
      2226,2227,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#   45 LYS  HE+          84 THR  MG2         6.00    (#   5137:20  Unique         4.30, 6.05 A)
 &rst
  ixpk= 5137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 736, 737,
 igr2=1357,1358,1359,
 &end
#
#   84 THR  HB           84 THR  MG2         3.00    (#   5138:20  Unique         2.32, 2.69 A)
 &rst
  ixpk= 5138, nxpk= 20, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1357,1358,1359,
 &end
#
#   84 THR  HA           84 THR  MG2         3.00    (#   5139:20  Unique         2.51, 3.40 A)
 &rst
  ixpk= 5139, nxpk= 20, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1357,1358,1359,
 &end
#
#   39 ILE  HA           84 THR  MG2         4.00    (#   5140:20  Unique         3.57, 4.52 A)
 &rst
  ixpk= 5140, nxpk= 20, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1357,1358,1359,
 &end
#
#   85 ALA  HA           84 THR  MG2         6.00    (#   5141:20  Unique         3.25, 4.28 A)
 &rst
  ixpk= 5141, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1357,1358,1359,
 &end
#
#   81 ILE  HA           84 THR  MG2         6.00    (#   5142:20  Unique         2.17, 3.77 A)
 &rst
  ixpk= 5142, nxpk= 20, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1357,1358,1359,
 &end
#
#   87 GLU  HB-          84 THR  MG2         5.00    (#   5144:20  Unique         3.93, 6.41 A)
 &rst
  ixpk= 5144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1389,1390,
 igr2=1357,1358,1359,
 &end
#
#   39 ILE  HB           84 THR  MG2         4.00    (#   5145:20  Unique         2.13, 3.44 A)
 &rst
  ixpk= 5145, nxpk= 20, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1357,1358,1359,
 &end
#
#   80 LYS  HB-          84 THR  MG2         6.00    (#   5146:20  Unique         4.73, 6.14 A)
 &rst
  ixpk= 5146, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1277,1278,
 igr2=1357,1358,1359,
 &end
#
#    0 AMB  20-2:5147    84 THR  MG2         4.00    (#   5147:20  Single Ambig)
 &rst
  ixpk= 5147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 733, 734, 733, 734,
 igr2=1357,1358,1359,
 &end
#
#   39 ILE  QG2          84 THR  MG2         3.00    (#   5148:20  Unique         1.96, 3.45 A)
 &rst
  ixpk= 5148, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 641, 642, 643,
 igr2=1357,1358,1359,
 &end
#
#   39 ILE  QD1          84 THR  MG2         5.00    (#   5150:20  Unique         2.40, 5.02 A)
 &rst
  ixpk= 5150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 648, 649, 650,
 igr2=1357,1358,1359,
 &end
#
#    0 AMB  20-2:5151    84 THR  MG2         5.00    (#   5151:20  Single Ambig)
 &rst
  ixpk= 5151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1305,1306,1442,1443,1444,
 igr2=1357,1358,1359,
 &end
#
#   90 ILE  QG2          66 ALA  MB          5.00    (#   5158:20  Unique         3.45, 5.13 A)
 &rst
  ixpk= 5158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1435,1436,1437,
 igr2=1077,1078,1079,
 &end
#
#   66 ALA  HA           66 ALA  MB          3.00    (#   5159:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 5159, nxpk= 20, iat=1075,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1077,1078,1079,
 &end
#
#  104 ASP  HA          103 THR  MG2         6.00    (#   5160:20  Unique         3.82, 5.59 A)
 &rst
  ixpk= 5160, nxpk= 20, iat=1645,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1635,1636,1637,
 &end
#
#    0 AMB  20-2:5161   103 THR  MG2         4.00    (#   5161:20  Single Ambig)
 &rst
  ixpk= 5161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1687,1631,
 igr2=1635,1636,1637,
 &end
#
#  103 THR  HB          103 THR  MG2         4.00    (#   5162:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 5162, nxpk= 20, iat=1633,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1635,1636,1637,
 &end
#
#    0 AMB  20-2:5163   103 THR  MG2         5.00    (#   5163:20  Single Ambig)
 &rst
  ixpk= 5163, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1689,1690,1123,1124,
 igr2=1635,1636,1637,
 &end
#
#    3 LEU  HA            3 LEU  MDY         3.00    (#   5168:20  Unique         1.98, 3.89 A)
 &rst
  ixpk= 5168, 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         5.00    (#   5169:20  Unique         2.74, 6.48 A)
 &rst
  ixpk= 5169, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2004,2005,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    0 AMB  20-2:5170     3 LEU  MDY         3.00    (#   5170:20  Single Ambig)
 &rst
  ixpk= 5170, 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
#
#    3 LEU  HB-           3 LEU  MDY         3.00    (#   5171:20  Unique         2.18, 3.32 A)
 &rst
  ixpk= 5171, 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
#
#  123 LEU  HG            3 LEU  MDY         3.00    (#   5172:20  Unique         2.39, 5.17 A)
 &rst
  ixpk= 5172, nxpk= 20, iat=1947,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#   94 ILE  HG1+         66 ALA  MB          4.00    (#   5176:20  Unique         1.90, 4.41 A)
 &rst
  ixpk= 5176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1503,1504,
 igr2=1077,1078,1079,
 &end
#
#   92 GLN  HG+          66 ALA  MB          4.00    (#   5177:20  Unique         2.67, 4.43 A)
 &rst
  ixpk= 5177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1469,1470,
 igr2=1077,1078,1079,
 &end
#
#  120 THR  HA          120 THR  MG2         4.00    (#   5178:20  Unique         2.70, 3.75 A)
 &rst
  ixpk= 5178, nxpk= 20, iat=1904,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1908,1909,1910,
 &end
#
#  119 LYS  HE+         120 THR  MG2         5.00    (#   5179:20  Unique         2.36, 5.23 A)
 &rst
  ixpk= 5179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1893,1894,
 igr2=1908,1909,1910,
 &end
#
#   33 LEU  HB-          64 VAL  MGX         3.00    (#   5181:20  Unique         2.55, 4.89 A)
 &rst
  ixpk= 5181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 529, 530,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  20-2:5182    64 VAL  MGX         4.00    (#   5182:20  Single Ambig)
 &rst
  ixpk= 5182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=1012,1013,1483,1484,1061,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   65 VAL  HA           65 VAL  MGX         3.00    (#   5184:20  Unique         2.25, 3.57 A)
 &rst
  ixpk= 5184, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#    0 AMB  20-2:5185    65 VAL  MGX         5.00    (#   5185:20  Single Ambig)
 &rst
  ixpk= 5185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1486,1487,1486,1487,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#    0 AMB  20-2:5186    65 VAL  MGX         3.00    (#   5186:20  Single Ambig)
 &rst
  ixpk= 5186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 554, 555,1061,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#    0 AMB  20-2:5188    65 VAL  MGX         3.00    (#   5188:20  Single Ambig)
 &rst
  ixpk= 5188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 554, 555, 517, 518, 519,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   34 ILE  QG2          65 VAL  MGX         3.00    (#   5189:20  Unique         2.14, 4.66 A)
 &rst
  ixpk= 5189, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 550, 551, 552,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   67 VAL  MGX          66 ALA  MB          6.00    (#   5198:20  Unique         4.59, 6.83 A)
 &rst
  ixpk= 5198, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1089,1090,1091,1093,1094,1095,
 igr2=1077,1078,1079,
 &end
#
#   55 ARG  HA           64 VAL  MGX         4.00    (#   5199:20  Unique         1.96, 3.83 A)
 &rst
  ixpk= 5199, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  20-2:5200    64 VAL  MGX         5.00    (#   5200:20  Single Ambig)
 &rst
  ixpk= 5200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 887, 888, 945, 946,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   64 VAL  HB           64 VAL  MGX         3.00    (#   5201:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 5201, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   62 LEU  HG           64 VAL  MGX         4.00    (#   5202:20  Unique         2.38, 4.94 A)
 &rst
  ixpk= 5202, nxpk= 20, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   62 LEU  MDY          64 VAL  MGX         3.00    (#   5203:20  Unique         1.96, 5.30 A)
 &rst
  ixpk= 5203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1017,1018,1019,1021,1022,1023,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   33 LEU  HB+          64 VAL  MGX         5.00    (#   5204:20  Unique         2.55, 4.89 A)
 &rst
  ixpk= 5204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 529, 530,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   92 GLN  HG+          64 VAL  MGX         5.00    (#   5205:20  Unique         2.84, 6.00 A)
 &rst
  ixpk= 5205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1469,1470,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#    7 MET  ME           26 LEU  MDX         5.00    (#   5208:20  Unique         2.88, 5.88 A)
 &rst
  ixpk= 5208, 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
#
#  148 GLU  HG+         147 THR  MG2         6.00    (#   5221:20  Unique         2.94, 5.60 A)
 &rst
  ixpk= 5221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2350,2351,
 igr2=2335,2336,2337,
 &end
#
#   26 LEU  HA           26 LEU  MDX         4.00    (#   5225:20  Unique         1.93, 3.67 A)
 &rst
  ixpk= 5225, 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
#
#   23 ARG  HA           26 LEU  MDX         5.00    (#   5226:20  Unique         1.97, 4.51 A)
 &rst
  ixpk= 5226, nxpk= 20, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   63 ASN  HB-          26 LEU  MDX         5.00    (#   5227:20  Unique         2.21, 4.74 A)
 &rst
  ixpk= 5227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1031,1032,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   63 ASN  HB+          26 LEU  MDX         4.00    (#   5228:20  Unique         2.21, 4.74 A)
 &rst
  ixpk= 5228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1031,1032,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:5229    26 LEU  MDX         3.00    (#   5229:20  Single Ambig)
 &rst
  ixpk= 5229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 419, 420, 422,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:5230    26 LEU  MDX         3.00    (#   5230:20  Single Ambig)
 &rst
  ixpk= 5230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 517, 518, 519, 554, 555,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   65 VAL  MGX          26 LEU  MDX         3.00    (#   5231:20  Unique         1.95, 4.21 A)
 &rst
  ixpk= 5231, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1063,1064,1065,1067,1068,1069,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#   67 VAL  HA           67 VAL  MGY         4.00    (#   5234:20  Unique         2.12, 3.16 A)
 &rst
  ixpk= 5234, nxpk= 20, iat=1085,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:5235    67 VAL  MGY         5.00    (#   5235:20  Single Ambig)
 &rst
  ixpk= 5235, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 584, 585,1552,1553,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#  102 LEU  MDX          67 VAL  MGY         4.00    (#   5236:20  Unique         2.02, 5.63 A)
 &rst
  ixpk= 5236, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   67 VAL  HB           67 VAL  MGY         3.00    (#   5238:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 5238, nxpk= 20, iat=1087,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#  102 LEU  MDY          67 VAL  MGY         4.00    (#   5240:20  Unique         2.02, 5.63 A)
 &rst
  ixpk= 5240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:5245     0 AMB  20-1:5245   6.00    (#   5245:20  Double Ambig)
 &rst
  ixpk= 5245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.48, r4=12.98,
 igr1=2221,2222,2223,2225,2226,2227,1435,1436,1437,
 igr2=1047,1048,1049,1051,1052,1053,1454,1455,1456,
 &end
#
#  140 VAL  MGY          64 VAL  MGX         5.00    (#   5246:20  Unique         3.94, 7.05 A)
 &rst
  ixpk= 5246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=2221,2222,2223,2225,2226,2227,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  20-2:5247   143 VAL  MGY         3.00    (#   5247:20  Single Ambig)
 &rst
  ixpk= 5247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1966,1967, 501, 502, 504, 505,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#   21 VAL  HA           21 VAL  MGX         4.00    (#   5249:20  Unique         2.19, 3.40 A)
 &rst
  ixpk= 5249, 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
#
#   26 LEU  HA           21 VAL  MGX         4.00    (#   5250:20  Unique         2.10, 4.63 A)
 &rst
  ixpk= 5250, nxpk= 20, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   20 GLU  HA           21 VAL  MGX         6.00    (#   5251:20  Unique         2.94, 5.44 A)
 &rst
  ixpk= 5251, nxpk= 20, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  20-2:5252     0 AMB  20-1:5252   5.00    (#   5252:20  Double Ambig)
 &rst
  ixpk= 5252, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.20, r4=10.70,
 igr1=1103,1104,1486,1487,1486,1487,
 igr2=1538,1539,1540,1542,1543,1544, 335, 336, 337, 339,
       340, 341,
 &end
#
#    0 AMB  20-2:5253     0 AMB  20-1:5253   3.00    (#   5253:20  Double Ambig)
 &rst
  ixpk= 5253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 333, 222, 223,
 igr2= 335, 336, 337, 339, 340, 341,1538,1539,1540,1542,
      1543,1544,
 &end
#
#    0 AMB  20-2:5254    26 LEU  MDX         5.00    (#   5254:20  Single Ambig)
 &rst
  ixpk= 5254, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 436,1918,1919,
 igr2= 424, 425, 426, 428, 429, 430,
 &end
#
#    0 AMB  20-2:5258    67 VAL  MGY         5.00    (#   5258:20  Single Ambig)
 &rst
  ixpk= 5258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 548,1103,1104,1552,1553,1536,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   22 THR  HB           22 THR  MG2         3.00    (#   5261:20  Unique         2.32, 2.69 A)
 &rst
  ixpk= 5261, 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    (#   5264:20  Unique         2.29, 2.69 A)
 &rst
  ixpk= 5264, nxpk= 20, iat=1452,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1454,1455,1456,
 &end
#
#   91 THR  HA           91 THR  MG2         3.00    (#   5265:20  Unique         2.57, 3.32 A)
 &rst
  ixpk= 5265, nxpk= 20, iat=1450,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1454,1455,1456,
 &end
#
#  118 ASP  HA          143 VAL  MGY         3.00    (#   5268:20  Unique         2.43, 4.09 A)
 &rst
  ixpk= 5268, nxpk= 20, iat=1870,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#   31 PRO  HA          143 VAL  MGY         5.00    (#   5269:20  Unique         4.21, 6.13 A)
 &rst
  ixpk= 5269, nxpk= 20, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  144 LEU  HA          143 VAL  MGY         5.00    (#   5271:20  Unique         3.12, 5.18 A)
 &rst
  ixpk= 5271, nxpk= 20, iat=2287,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  143 VAL  HA          143 VAL  MGY         3.00    (#   5272:20  Unique         1.98, 3.21 A)
 &rst
  ixpk= 5272, nxpk= 20, iat=2271,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  118 ASP  HB-         143 VAL  MGY         5.00    (#   5273:20  Unique         3.28, 6.26 A)
 &rst
  ixpk= 5273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1872,1873,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  140 VAL  HA          143 VAL  MGY         5.00    (#   5274:20  Unique         3.68, 4.89 A)
 &rst
  ixpk= 5274, nxpk= 20, iat=2217,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#    0 AMB  20-2:5275   143 VAL  MGY         5.00    (#   5275:20  Single Ambig)
 &rst
  ixpk= 5275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1872,1873,2201,2202,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#   31 PRO  HB-         143 VAL  MGY         4.00    (#   5276:20  Unique         2.05, 4.13 A)
 &rst
  ixpk= 5276, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 504, 505,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#    0 AMB  20-2:5277   143 VAL  MGY         3.00    (#   5277:20  Single Ambig)
 &rst
  ixpk= 5277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2273,2318,2319,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  124 ARG  HB-         143 VAL  MGY         4.00    (#   5279:20  Unique         2.12, 4.56 A)
 &rst
  ixpk= 5279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1963,1964,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#    0 AMB  20-2:5280   143 VAL  MGY         4.00    (#   5280:20  Single Ambig)
 &rst
  ixpk= 5280, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
 igr1=2294,2295,2296,2298,2299,2300,2221,2222,2223,2225,
      2226,2227,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  136 LEU  MDY         116 VAL  MGX         5.00    (#   5281:20  Unique         2.19, 6.07 A)
 &rst
  ixpk= 5281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  125 HIS  HB-           0 AMB  20-1:5282   5.00    (#   5282:20  Single Ambig)
 &rst
  ixpk= 5282, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1987,1988,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#   33 LEU  HG            0 AMB  20-1:5283   5.00    (#   5283:20  Single Ambig)
 &rst
  ixpk= 5283, nxpk= 20, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#   33 LEU  MDY           0 AMB  20-1:5284   3.00    (#   5284:20  Single Ambig)
 &rst
  ixpk= 5284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 534, 535, 536, 538, 539, 540,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#   63 ASN  HB+          21 VAL  MGX         6.00    (#   5287:20  Unique         3.85, 6.63 A)
 &rst
  ixpk= 5287, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1031,1032,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  20-2:5289     0 AMB  20-1:5289   3.00    (#   5289:20  Double Ambig)
 &rst
  ixpk= 5289, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1061,1497,1140,1141,
 igr2= 335, 336, 337, 339, 340, 341,1538,1539,1540,1542,
      1543,1544,
 &end
#
#   15 ALA  MB           96 VAL  MGY         3.00    (#   5290:20  Unique         1.96, 4.38 A)
 &rst
  ixpk= 5290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 244, 245, 246,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#  141 ASN  HA          140 VAL  MGY         5.00    (#   5292:20  Unique         2.96, 5.11 A)
 &rst
  ixpk= 5292, nxpk= 20, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  136 LEU  HG          140 VAL  MGY         4.00    (#   5293:20  Unique         2.51, 5.56 A)
 &rst
  ixpk= 5293, nxpk= 20, iat=2142,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  147 THR  HB          147 THR  MG2         3.00    (#   5300:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 5300, nxpk= 20, iat=2333,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=2335,2336,2337,
 &end
#
#    0 AMB  20-2:5301   147 THR  MG2         5.00    (#   5301:20  Single Ambig)
 &rst
  ixpk= 5301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2347,2348, 501, 502,
 igr2=2335,2336,2337,
 &end
#
#  119 LYS  HB-         147 THR  MG2         6.00    (#   5302:20  Unique         2.00, 4.07 A)
 &rst
  ixpk= 5302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1884,1885,
 igr2=2335,2336,2337,
 &end
#
#  148 GLU  HG+         147 THR  MG2         6.00    (#   5303:20  Unique         2.94, 5.60 A)
 &rst
  ixpk= 5303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2350,2351,
 igr2=2335,2336,2337,
 &end
#
#  144 LEU  HB+         147 THR  MG2         6.00    (#   5304:20  Unique         3.97, 6.90 A)
 &rst
  ixpk= 5304, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2289,2290,
 igr2=2335,2336,2337,
 &end
#
#  119 LYS  HG+         147 THR  MG2         3.00    (#   5306:20  Unique         2.19, 3.86 A)
 &rst
  ixpk= 5306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1887,1888,
 igr2=2335,2336,2337,
 &end
#
#   11 THR  HB           22 THR  MG2         4.00    (#   5311:20  Unique         2.66, 4.78 A)
 &rst
  ixpk= 5311, nxpk= 20, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 351, 352, 353,
 &end
#
#   24 GLU  HG+          22 THR  MG2         4.00    (#   5313:20  Unique         3.40, 5.12 A)
 &rst
  ixpk= 5313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 390, 391,
 igr2= 351, 352, 353,
 &end
#
#   78 PRO  HB+          15 ALA  MB          4.00    (#   5314:20  Unique         1.97, 2.53 A)
 &rst
  ixpk= 5314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1259,1260,
 igr2= 244, 245, 246,
 &end
#
#   26 LEU  HB+          22 THR  MG2         6.00    (#   5315:20  Unique         5.75, 7.73 A)
 &rst
  ixpk= 5315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 419, 420,
 igr2= 351, 352, 353,
 &end
#
#   96 VAL  MGX          15 ALA  MB          3.00    (#   5318:20  Unique         1.96, 4.38 A)
 &rst
  ixpk= 5318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1538,1539,1540,1542,1543,1544,
 igr2= 244, 245, 246,
 &end
#
#    0 AMB  20-2:5319     0 AMB  20-1:5319   4.00    (#   5319:20  Double Ambig)
 &rst
  ixpk= 5319, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
 igr1= 529, 530, 529, 530,1987,1988,1987,1988,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#  116 VAL  HB            0 AMB  20-1:5320   3.00    (#   5320:20  Single Ambig)
 &rst
  ixpk= 5320, nxpk= 20, iat=1836,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#   33 LEU  HB-           0 AMB  20-1:5321   4.00    (#   5321:20  Single Ambig)
 &rst
  ixpk= 5321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 529, 530,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#  136 LEU  MDX           0 AMB  20-1:5322   3.00    (#   5322:20  Single Ambig)
 &rst
  ixpk= 5322, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#   96 VAL  HA           96 VAL  MGY         4.00    (#   5324:20  Unique         2.25, 3.42 A)
 &rst
  ixpk= 5324, nxpk= 20, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   20 GLU  HA           21 VAL  MGX         6.00    (#   5325:20  Unique         2.94, 5.44 A)
 &rst
  ixpk= 5325, nxpk= 20, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  20-2:5326     0 AMB  20-1:5326   5.00    (#   5326:20  Double Ambig)
 &rst
  ixpk= 5326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.20, r4=10.70,
 igr1=1103,1104,1486,1487,1486,1487,
 igr2=1538,1539,1540,1542,1543,1544, 335, 336, 337, 339,
       340, 341,
 &end
#
#    0 AMB  20-2:5327    96 VAL  MGY         3.00    (#   5327:20  Single Ambig)
 &rst
  ixpk= 5327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=1103,1104,1536,1259,1260,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#    0 AMB  20-2:5328    96 VAL  MGY         4.00    (#   5328:20  Single Ambig)
 &rst
  ixpk= 5328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 281, 278, 279,1299,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   81 ILE  QG2          96 VAL  MGY         3.00    (#   5329:20  Unique         2.73, 5.53 A)
 &rst
  ixpk= 5329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1301,1302,1303,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   81 ILE  QD1          96 VAL  MGY         4.00    (#   5330:20  Unique         1.92, 5.14 A)
 &rst
  ixpk= 5330, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1308,1309,1310,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#   90 ILE  QG2          91 THR  MG2         6.00    (#   5336:20  Unique         5.04, 6.97 A)
 &rst
  ixpk= 5336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1435,1436,1437,
 igr2=1454,1455,1456,
 &end
#
#    0 AMB  20-2:5337     0 AMB  20-1:5337   5.00    (#   5337:20  Double Ambig)
 &rst
  ixpk= 5337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=1963,1964,2195,2196,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#    0 AMB  20-2:5338     0 AMB  20-1:5338   5.00    (#   5338:20  Double Ambig)
 &rst
  ixpk= 5338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=2198,2199,2198,2199,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#   95 PHE  HA           96 VAL  MGY         6.00    (#   5339:20  Unique         3.30, 5.54 A)
 &rst
  ixpk= 5339, nxpk= 20, iat=1514,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1538,1539,1540,1542,1543,1544,
 &end
#
#  141 ASN  HA          140 VAL  MGY         5.00    (#   5340:20  Unique         2.96, 5.11 A)
 &rst
  ixpk= 5340, nxpk= 20, iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  137 GLU  HA          140 VAL  MGY         5.00    (#   5341:20  Unique         2.24, 4.83 A)
 &rst
  ixpk= 5341, nxpk= 20, iat=2156,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  140 VAL  HA          140 VAL  MGY         4.00    (#   5342:20  Unique         2.02, 3.21 A)
 &rst
  ixpk= 5342, nxpk= 20, iat=2217,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#    0 AMB  20-2:5344   140 VAL  MGY         5.00    (#   5344:20  Single Ambig)
 &rst
  ixpk= 5344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2273,2158,2159,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#    0 AMB  20-2:5345   140 VAL  MGY         3.00    (#   5345:20  Single Ambig)
 &rst
  ixpk= 5345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2219, 995, 996,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#    0 AMB  20-2:5346   140 VAL  MGY         4.00    (#   5346:20  Single Ambig)
 &rst
  ixpk= 5346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1015,2292,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  144 LEU  HB-         140 VAL  MGY         5.00    (#   5347:20  Unique         4.48, 7.54 A)
 &rst
  ixpk= 5347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2289,2290,
 igr2=2221,2222,2223,2225,2226,2227,
 &end
#
#  136 LEU  HB-         116 VAL  MGY         6.00    (#   5354:20  Unique         5.23, 7.93 A)
 &rst
  ixpk= 5354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2139,2140,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  139 ARG  HB-         116 VAL  MGY         5.00    (#   5355:20  Unique         2.74, 5.52 A)
 &rst
  ixpk= 5355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2195,2196,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  140 VAL  HA          116 VAL  MGY         5.00    (#   5356:20  Unique         2.04, 3.83 A)
 &rst
  ixpk= 5356, nxpk= 20, iat=2217,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  116 VAL  HB          116 VAL  MGY         3.00    (#   5357:20  Unique         2.24, 2.65 A)
 &rst
  ixpk= 5357, nxpk= 20, iat=1836,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#  124 ARG  HG-         116 VAL  MGY         5.00    (#   5358:20  Unique         3.36, 6.45 A)
 &rst
  ixpk= 5358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1966,1967,
 igr2=1838,1839,1840,1842,1843,1844,
 &end
#
#   10 LEU  HB-          21 VAL  MGY         6.00    (#   5376:20  Unique         5.00, 7.93 A)
 &rst
  ixpk= 5376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 167, 168,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   21 VAL  HA           21 VAL  MGY         5.00    (#   5388:20  Unique         2.19, 3.40 A)
 &rst
  ixpk= 5388, 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  20-2:5389    21 VAL  MGY         6.00    (#   5389:20  Single Ambig)
 &rst
  ixpk= 5389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1480,1481,1480,1481,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   20 GLU  HA           21 VAL  MGY         6.00    (#   5390:20  Unique         2.94, 5.44 A)
 &rst
  ixpk= 5390, nxpk= 20, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   93 PRO  HB+          21 VAL  MGY         5.00    (#   5391:20  Unique         2.06, 4.30 A)
 &rst
  ixpk= 5391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1486,1487,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   25 GLN  HB-          21 VAL  MGY         5.00    (#   5392:20  Unique         1.95, 4.23 A)
 &rst
  ixpk= 5392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 402, 403,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   65 VAL  HB           21 VAL  MGY         4.00    (#   5393:20  Unique         3.09, 4.96 A)
 &rst
  ixpk= 5393, nxpk= 20, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#    0 AMB  20-2:5394    21 VAL  MGY         4.00    (#   5394:20  Single Ambig)
 &rst
  ixpk= 5394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 422, 419, 420, 419, 420,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   21 VAL  HB           21 VAL  MGY         4.00    (#   5395:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 5395, nxpk= 20, iat= 333,  -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         4.00    (#   5396:20  Unique         2.61, 6.22 A)
 &rst
  ixpk= 5396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1063,1064,1065,1067,1068,1069,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   93 PRO  HB+          65 VAL  MGY         5.00    (#   5407:20  Unique         2.80, 6.24 A)
 &rst
  ixpk= 5407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1486,1487,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   65 VAL  HA           65 VAL  MGY         4.00    (#   5409:20  Unique         2.25, 3.57 A)
 &rst
  ixpk= 5409, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#    0 AMB  20-2:5410    65 VAL  MGY         3.00    (#   5410:20  Single Ambig)
 &rst
  ixpk= 5410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 554, 555,1061,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   32 THR  MG2          65 VAL  MGY         5.00    (#   5411:20  Unique         2.37, 4.86 A)
 &rst
  ixpk= 5411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 517, 518, 519,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   21 VAL  MGX          65 VAL  MGY         3.00    (#   5412:20  Unique         2.61, 6.22 A)
 &rst
  ixpk= 5412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 335, 336, 337, 339, 340, 341,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   10 LEU  HA           11 THR  MG2         5.00    (#   5420:20  Unique         3.85, 5.03 A)
 &rst
  ixpk= 5420, nxpk= 20, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 188, 189, 190,
 &end
#
#   11 THR  HB           11 THR  MG2         3.00    (#   5421:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 5421, 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         5.00    (#   5423:20  Unique         2.84, 5.19 A)
 &rst
  ixpk= 5423, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 155, 156,
 igr2= 188, 189, 190,
 &end
#
#    9 GLU  HG-          11 THR  MG2         5.00    (#   5424:20  Unique         2.84, 5.19 A)
 &rst
  ixpk= 5424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 155, 156,
 igr2= 188, 189, 190,
 &end
#
#    9 GLU  HB-          11 THR  MG2         4.00    (#   5425:20  Unique         2.02, 4.66 A)
 &rst
  ixpk= 5425, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 152, 153,
 igr2= 188, 189, 190,
 &end
#
#    9 GLU  HB+          11 THR  MG2         4.00    (#   5426:20  Unique         2.02, 4.66 A)
 &rst
  ixpk= 5426, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 152, 153,
 igr2= 188, 189, 190,
 &end
#
#    0 AMB  20-2:5428    65 VAL  MGY         5.00    (#   5428:20  Single Ambig)
 &rst
  ixpk= 5428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 548, 167, 168,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   34 ILE  QG2          65 VAL  MGY         4.00    (#   5429:20  Unique         2.14, 4.66 A)
 &rst
  ixpk= 5429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 550, 551, 552,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   67 VAL  MGX          65 VAL  MGY         5.00    (#   5430:20  Unique         2.71, 6.71 A)
 &rst
  ixpk= 5430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=1089,1090,1091,1093,1094,1095,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   67 VAL  MGY          65 VAL  MGY         6.00    (#   5436:20  Unique         2.71, 6.71 A)
 &rst
  ixpk= 5436, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1089,1090,1091,1093,1094,1095,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   51 VAL  MGY          47 ALA  MB          3.00    (#   5445:20  Unique         2.25, 5.87 A)
 &rst
  ixpk= 5445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 824, 825, 826, 828, 829, 830,
 igr2= 764, 765, 766,
 &end
#
#   48 MET  HA           51 VAL  MGX         5.00    (#   5449:20  Unique         2.61, 4.51 A)
 &rst
  ixpk= 5449, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#   90 ILE  QG2          51 VAL  MGX         6.00    (#   5450:20  Unique         1.98, 5.10 A)
 &rst
  ixpk= 5450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1435,1436,1437,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#    0 AMB  20-2:5456     0 AMB  20-1:5456   3.00    (#   5456:20  Double Ambig)
 &rst
  ixpk= 5456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 762, 165,
 igr2= 764, 765, 766,1604,1605,1606,
 &end
#
#    0 AMB  20-2:5457    47 ALA  MB          6.00    (#   5457:20  Single Ambig)
 &rst
  ixpk= 5457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 808, 809, 774, 775,
 igr2= 764, 765, 766,
 &end
#
#   51 VAL  HA           51 VAL  MGX         4.00    (#   5459:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 5459, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#    0 AMB  20-2:5460    51 VAL  MGX         4.00    (#   5460:20  Single Ambig)
 &rst
  ixpk= 5460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 822, 890, 891,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#   64 VAL  MGY          51 VAL  MGX         5.00    (#   5461:20  Unique         3.00, 6.85 A)
 &rst
  ixpk= 5461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=1047,1048,1049,1051,1052,1053,
 igr2= 824, 825, 826, 828, 829, 830,
 &end
#
#    0 AMB  20-2:5471     0 AMB  20-1:5471   5.00    (#   5471:20  Double Ambig)
 &rst
  ixpk= 5471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 604, 605, 198, 199,
 igr2= 764, 765, 766,1604,1605,1606,
 &end
#
#    0 AMB  20-2:5473     0 AMB  20-1:5473   5.00    (#   5473:20  Double Ambig)
 &rst
  ixpk= 5473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1575,1576,1773,1774,
 igr2=1604,1605,1606, 764, 765, 766,
 &end
#
#  104 ASP  HB+         101 ALA  MB          5.00    (#   5474:20  Unique         3.90, 5.74 A)
 &rst
  ixpk= 5474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1647,1648,
 igr2=1604,1605,1606,
 &end
#
#    0 AMB  20-2:5475     0 AMB  20-1:5475   5.00    (#   5475:20  Double Ambig)
 &rst
  ixpk= 5475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 749, 750, 167, 168,
 igr2= 764, 765, 766,1604,1605,1606,
 &end
#
#    0 AMB  20-2:5476    47 ALA  MB          5.00    (#   5476:20  Single Ambig)
 &rst
  ixpk= 5476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=2083,2084,1773,1774, 805, 806,1770,1771,1770,1771,
      
 igr2= 764, 765, 766,
 &end
#
#   11 THR  MG2         101 ALA  MB          5.00    (#   5477:20  Unique         1.99, 3.53 A)
 &rst
  ixpk= 5477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 188, 189, 190,
 igr2=1604,1605,1606,
 &end
#
#   81 ILE  HA           39 ILE  QG2         4.00    (#   5483:20  Unique         2.45, 3.71 A)
 &rst
  ixpk= 5483, nxpk= 20, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 641, 642, 643,
 &end
#
#   39 ILE  HB           39 ILE  QG2         4.00    (#   5484:20  Unique         2.24, 2.64 A)
 &rst
  ixpk= 5484, nxpk= 20, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 641, 642, 643,
 &end
#
#   84 THR  MG2          39 ILE  QG2         3.00    (#   5485:20  Unique         1.96, 3.45 A)
 &rst
  ixpk= 5485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1357,1358,1359,
 igr2= 641, 642, 643,
 &end
#
#   39 ILE  QD1          39 ILE  QG2         3.00    (#   5486:20  Unique         1.99, 3.82 A)
 &rst
  ixpk= 5486, 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  QG2          39 ILE  QG2         4.00    (#   5487:20  Unique         3.61, 5.28 A)
 &rst
  ixpk= 5487, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1301,1302,1303,
 igr2= 641, 642, 643,
 &end
#
#   81 ILE  QD1          39 ILE  QG2         5.00    (#   5488:20  Unique         1.98, 5.19 A)
 &rst
  ixpk= 5488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1308,1309,1310,
 igr2= 641, 642, 643,
 &end
#
#   81 ILE  HG1-         39 ILE  QG2         5.00    (#   5489:20  Unique         2.01, 3.70 A)
 &rst
  ixpk= 5489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1305,1306,
 igr2= 641, 642, 643,
 &end
#
#   39 ILE  HG1+         39 ILE  QG2         4.00    (#   5490:20  Unique         2.13, 3.48 A)
 &rst
  ixpk= 5490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 645, 646,
 igr2= 641, 642, 643,
 &end
#
#   95 PHE  HB+          67 VAL  MGX         6.00    (#   5491:20  Unique         2.02, 4.91 A)
 &rst
  ixpk= 5491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1516,1517,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#  102 LEU  MDX          67 VAL  MGX         6.00    (#   5492:20  Unique         2.02, 5.63 A)
 &rst
  ixpk= 5492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#  101 ALA  HA          101 ALA  MB          3.00    (#   5493:20  Unique         2.26, 2.66 A)
 &rst
  ixpk= 5493, nxpk= 20, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1604,1605,1606,
 &end
#
#   84 THR  HB           39 ILE  QG2         4.00    (#   5494:20  Unique         2.89, 4.17 A)
 &rst
  ixpk= 5494, nxpk= 20, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 641, 642, 643,
 &end
#
#   84 THR  HA           39 ILE  QG2         5.00    (#   5495:20  Unique         5.29, 6.32 A)
 &rst
  ixpk= 5495, nxpk= 20, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 641, 642, 643,
 &end
#
#   39 ILE  HA           39 ILE  QG2         4.00    (#   5496:20  Unique         2.20, 3.13 A)
 &rst
  ixpk= 5496, nxpk= 20, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 641, 642, 643,
 &end
#
#   67 VAL  HA           67 VAL  MGX         5.00    (#   5499:20  Unique         2.12, 3.16 A)
 &rst
  ixpk= 5499, nxpk= 20, iat=1085,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:5500    67 VAL  MGX         5.00    (#   5500:20  Single Ambig)
 &rst
  ixpk= 5500, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.20, r4=10.70,
 igr1=1063,1064,1065,1067,1068,1069,1063,1064,1065,1067,
      1068,1069,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   34 ILE  QG2          67 VAL  MGX         3.00    (#   5501:20  Unique         1.97, 4.23 A)
 &rst
  ixpk= 5501, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 550, 551, 552,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#    0 AMB  20-2:5506    67 VAL  MGX         6.00    (#   5506:20  Single Ambig)
 &rst
  ixpk= 5506, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 554, 555,1614,1615,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#  145 ALA  HA          145 ALA  MB          3.00    (#   5552:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 5552, nxpk= 20, iat=2306,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=2308,2309,2310,
 &end
#
#  142 ARG  HA          145 ALA  MB          4.00    (#   5553:20  Unique         2.75, 3.91 A)
 &rst
  ixpk= 5553, nxpk= 20, iat=2247,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=2308,2309,2310,
 &end
#
#  143 VAL  HA          145 ALA  MB          6.00    (#   5554:20  Unique         5.16, 6.31 A)
 &rst
  ixpk= 5554, nxpk= 20, iat=2271,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=2308,2309,2310,
 &end
#
#  142 ARG  HD+         145 ALA  MB          5.00    (#   5555:20  Unique         2.37, 4.75 A)
 &rst
  ixpk= 5555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2255,2256,
 igr2=2308,2309,2310,
 &end
#
#  141 ASN  HB+         145 ALA  MB          6.00    (#   5556:20  Unique         4.56, 6.48 A)
 &rst
  ixpk= 5556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2235,2236,
 igr2=2308,2309,2310,
 &end
#
#  146 GLU  HG-         145 ALA  MB          6.00    (#   5557:20  Unique         3.11, 5.44 A)
 &rst
  ixpk= 5557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2321,2322,
 igr2=2308,2309,2310,
 &end
#
#    0 AMB  20-2:5558   145 ALA  MB          5.00    (#   5558:20  Single Ambig)
 &rst
  ixpk= 5558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2318,2319,2249,2250,
 igr2=2308,2309,2310,
 &end
#
#    0 AMB  20-2:5559   145 ALA  MB          5.00    (#   5559:20  Single Ambig)
 &rst
  ixpk= 5559, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=2249,2250,2347,2348,
 igr2=2308,2309,2310,
 &end
#
#  144 LEU  HB+         145 ALA  MB          5.00    (#   5560:20  Unique         4.03, 5.39 A)
 &rst
  ixpk= 5560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2289,2290,
 igr2=2308,2309,2310,
 &end
#
#   94 ILE  HG1+         94 ILE  QG2         5.00    (#   5571:20  Unique         2.38, 3.59 A)
 &rst
  ixpk= 5571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1503,1504,
 igr2=1499,1500,1501,
 &end
#
#    0 AMB  20-2:5572    94 ILE  QG2         5.00    (#   5572:20  Single Ambig)
 &rst
  ixpk= 5572, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1103,1104,1536,
 igr2=1499,1500,1501,
 &end
#
#   66 ALA  MB           94 ILE  QG2         4.00    (#   5573:20  Unique         1.96, 4.31 A)
 &rst
  ixpk= 5573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1077,1078,1079,
 igr2=1499,1500,1501,
 &end
#
#    0 AMB  20-2:5574    94 ILE  QG2         4.00    (#   5574:20  Single Ambig)
 &rst
  ixpk= 5574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1301,1302,1303,1435,1436,1437,
 igr2=1499,1500,1501,
 &end
#
#    0 AMB  20-2:5579    94 ILE  QG2         5.00    (#   5579:20  Single Ambig)
 &rst
  ixpk= 5579, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 278, 279, 281,
 igr2=1499,1500,1501,
 &end
#
#   69 MET  HG+         111 VAL  MGY         5.00    (#   5586:20  Unique         1.99, 4.61 A)
 &rst
  ixpk= 5586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1123,1124,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#    0 AMB  20-2:5588   111 VAL  MGY         3.00    (#   5588:20  Single Ambig)
 &rst
  ixpk= 5588, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1754,1773,1774,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#  102 LEU  HA          105 ALA  MB          3.00    (#   5591:20  Unique         2.27, 3.66 A)
 &rst
  ixpk= 5591, nxpk= 20, iat=1612,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1659,1660,1661,
 &end
#
#  105 ALA  HA          105 ALA  MB          3.00    (#   5592:20  Unique         2.27, 2.66 A)
 &rst
  ixpk= 5592, nxpk= 20, iat=1657,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1659,1660,1661,
 &end
#
#  111 VAL  HA          111 VAL  MGY         4.00    (#   5595:20  Unique         2.05, 3.34 A)
 &rst
  ixpk= 5595, nxpk= 20, iat=1752,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   38 SER  HB-         111 VAL  MGY         5.00    (#   5596:20  Unique         1.93, 4.29 A)
 &rst
  ixpk= 5596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 628, 629,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   38 SER  HB+         111 VAL  MGY         5.00    (#   5597:20  Unique         1.93, 4.29 A)
 &rst
  ixpk= 5597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 628, 629,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   71 ARG  HD-         111 VAL  MGY         5.00    (#   5598:20  Unique         2.17, 5.30 A)
 &rst
  ixpk= 5598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1157,1158,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#    0 AMB  20-2:5599   111 VAL  MGY         3.00    (#   5599:20  Single Ambig)
 &rst
  ixpk= 5599, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=1120,1121,1127,1128,1129,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#   71 ARG  HG-         111 VAL  MGY         5.00    (#   5600:20  Unique         3.67, 6.58 A)
 &rst
  ixpk= 5600, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1154,1155,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#    0 AMB  20-2:5601   105 ALA  MB          6.00    (#   5601:20  Single Ambig)
 &rst
  ixpk= 5601, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1647,1648,1669,1670,
 igr2=1659,1660,1661,
 &end
#
#    8 PRO  HD-         105 ALA  MB          6.00    (#   5602:20  Unique         4.36, 5.68 A)
 &rst
  ixpk= 5602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 135, 136,
 igr2=1659,1660,1661,
 &end
#
#    8 PRO  HB-         105 ALA  MB          4.00    (#   5603:20  Unique         1.94, 3.34 A)
 &rst
  ixpk= 5603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 141, 142,
 igr2=1659,1660,1661,
 &end
#
#    8 PRO  HG+         105 ALA  MB          4.00    (#   5604:20  Unique         2.17, 3.64 A)
 &rst
  ixpk= 5604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 138, 139,
 igr2=1659,1660,1661,
 &end
#
#  102 LEU  MDX         105 ALA  MB          4.00    (#   5605:20  Unique         3.62, 7.10 A)
 &rst
  ixpk= 5605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1619,1620,1621,1623,1624,1625,
 igr2=1659,1660,1661,
 &end
#
#    0 AMB  20-2:5606    85 ALA  MB          3.00    (#   5606:20  Single Ambig)
 &rst
  ixpk= 5606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 283, 284, 285, 287, 288, 289,1506,1507,1508,
 igr2=1369,1370,1371,
 &end
#
#    0 AMB  20-2:5607    85 ALA  MB          4.00    (#   5607:20  Single Ambig)
 &rst
  ixpk= 5607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1435,1436,1437,1301,1302,1303,
 igr2=1369,1370,1371,
 &end
#
#    0 AMB  20-2:5615    85 ALA  MB          3.00    (#   5615:20  Single Ambig)
 &rst
  ixpk= 5615, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1367,1316,
 igr2=1369,1370,1371,
 &end
#
#   90 ILE  QD1          85 ALA  MB          4.00    (#   5616:20  Unique         1.95, 3.81 A)
 &rst
  ixpk= 5616, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1442,1443,1444,
 igr2=1369,1370,1371,
 &end
#
#  140 VAL  MGX         133 MET  ME          6.00    (#   5617:20  Unique         4.53, 7.49 A)
 &rst
  ixpk= 5617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=2221,2222,2223,2225,2226,2227,
 igr2=2090,2091,2092,
 &end
#
#  136 LEU  MDX         133 MET  ME          5.00    (#   5618:20  Unique         2.03, 5.29 A)
 &rst
  ixpk= 5618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=2090,2091,2092,
 &end
#
#   71 ARG  HA           69 MET  ME          6.00    (#   5623:20  Unique         3.75, 5.24 A)
 &rst
  ixpk= 5623, nxpk= 20, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1127,1128,1129,
 &end
#
#  109 GLU  HA           69 MET  ME          5.00    (#   5624:20  Unique         1.98, 3.42 A)
 &rst
  ixpk= 5624, nxpk= 20, iat=1716,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1127,1128,1129,
 &end
#
#   70 PRO  HD-          69 MET  ME          6.00    (#   5625:20  Unique         2.61, 5.44 A)
 &rst
  ixpk= 5625, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1134,1135,
 igr2=1127,1128,1129,
 &end
#
#    0 AMB  20-2:5626    69 MET  ME          6.00    (#   5626:20  Single Ambig)
 &rst
  ixpk= 5626, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1587,1588, 628, 629,
 igr2=1127,1128,1129,
 &end
#
#   71 ARG  HD-          69 MET  ME          5.00    (#   5627:20  Unique         1.99, 5.09 A)
 &rst
  ixpk= 5627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1157,1158,
 igr2=1127,1128,1129,
 &end
#
#   69 MET  HG+          69 MET  ME          4.00    (#   5628:20  Unique         1.99, 3.39 A)
 &rst
  ixpk= 5628, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1123,1124,
 igr2=1127,1128,1129,
 &end
#
#   69 MET  HG-          69 MET  ME          3.00    (#   5629:20  Unique         1.99, 3.39 A)
 &rst
  ixpk= 5629, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1123,1124,
 igr2=1127,1128,1129,
 &end
#
#   71 ARG  HG-          69 MET  ME          4.00    (#   5630:20  Unique         2.47, 4.60 A)
 &rst
  ixpk= 5630, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1154,1155,
 igr2=1127,1128,1129,
 &end
#
#  103 THR  MG2          69 MET  ME          5.00    (#   5632:20  Unique         3.29, 5.68 A)
 &rst
  ixpk= 5632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1635,1636,1637,
 igr2=1127,1128,1129,
 &end
#
#  111 VAL  MGY          69 MET  ME          5.00    (#   5633:20  Unique         2.33, 5.53 A)
 &rst
  ixpk= 5633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1127,1128,1129,
 &end
#
#  111 VAL  MGX          69 MET  ME          4.00    (#   5634:20  Unique         2.33, 5.53 A)
 &rst
  ixpk= 5634, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1127,1128,1129,
 &end
#
#   50 GLN  HB-         133 MET  ME          4.00    (#   5637:20  Unique         2.31, 4.47 A)
 &rst
  ixpk= 5637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 805, 806,
 igr2=2090,2091,2092,
 &end
#
#  136 LEU  MDY         133 MET  ME          4.00    (#   5638:20  Unique         2.03, 5.29 A)
 &rst
  ixpk= 5638, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=2144,2145,2146,2148,2149,2150,
 igr2=2090,2091,2092,
 &end
#
#    0 AMB  20-2:5640   133 MET  ME          4.00    (#   5640:20  Single Ambig)
 &rst
  ixpk= 5640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2081, 865,
 igr2=2090,2091,2092,
 &end
#
#    0 AMB  20-2:5641   133 MET  ME          4.00    (#   5641:20  Single Ambig)
 &rst
  ixpk= 5641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 867, 868, 820,
 igr2=2090,2091,2092,
 &end
#
#  114 TYR  HB+         133 MET  ME          6.00    (#   5643:20  Unique         4.64, 6.57 A)
 &rst
  ixpk= 5643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1794,1795,
 igr2=2090,2091,2092,
 &end
#
#  137 GLU  HB+         133 MET  ME          6.00    (#   5644:20  Unique         2.62, 4.62 A)
 &rst
  ixpk= 5644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2158,2159,
 igr2=2090,2091,2092,
 &end
#
#   50 GLN  HB+         133 MET  ME          4.00    (#   5645:20  Unique         2.31, 4.47 A)
 &rst
  ixpk= 5645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 805, 806,
 igr2=2090,2091,2092,
 &end
#
#    0 AMB  20-2:5647   133 MET  ME          4.00    (#   5647:20  Single Ambig)
 &rst
  ixpk= 5647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=2142,2139,2140,
 igr2=2090,2091,2092,
 &end
#
#   51 VAL  MGY         133 MET  ME          5.00    (#   5648:20  Unique         2.17, 5.82 A)
 &rst
  ixpk= 5648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 824, 825, 826, 828, 829, 830,
 igr2=2090,2091,2092,
 &end
#
#   86 ALA  HA           86 ALA  MB          3.00    (#   5661:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 5661, nxpk= 20, iat=1377,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1379,1380,1381,
 &end
#
#   87 GLU  HA           86 ALA  MB          4.00    (#   5662:20  Unique         4.20, 4.97 A)
 &rst
  ixpk= 5662, nxpk= 20, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1379,1380,1381,
 &end
#
#    0 AMB  20-2:5663    86 ALA  MB          5.00    (#   5663:20  Single Ambig)
 &rst
  ixpk= 5663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1392,1393,1340,1341,
 igr2=1379,1380,1381,
 &end
#
#    0 AMB  20-2:5664    86 ALA  MB          4.00    (#   5664:20  Single Ambig)
 &rst
  ixpk= 5664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1389,1390,1340,1341,
 igr2=1379,1380,1381,
 &end
#
#    0 AMB  20-2:5665    86 ALA  MB          5.00    (#   5665:20  Single Ambig)
 &rst
  ixpk= 5665, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1389,1390,1318,1319,
 igr2=1379,1380,1381,
 &end
#
#   50 GLN  HA          133 MET  ME          6.00    (#   5669:20  Unique         3.68, 5.64 A)
 &rst
  ixpk= 5669, nxpk= 20, iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=2090,2091,2092,
 &end
#
#  132 GLY  HA+         133 MET  ME          6.00    (#   5670:20  Unique         5.63, 7.35 A)
 &rst
  ixpk= 5670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2074,2075,
 igr2=2090,2091,2092,
 &end
#
#    5 GLN  HB+           1 MET  ME          5.00    (#   5681:20  Unique         2.01, 4.30 A)
 &rst
  ixpk= 5681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  90,  91,
 igr2=  15,  16,  17,
 &end
#
#    8 PRO  HG-           1 MET  ME          3.00    (#   5682:20  Unique         1.98, 3.78 A)
 &rst
  ixpk= 5682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 138, 139,
 igr2=  15,  16,  17,
 &end
#
#   83 GLU  HG-          86 ALA  MB          6.00    (#   5683:20  Unique         3.14, 5.31 A)
 &rst
  ixpk= 5683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1343,1344,
 igr2=1379,1380,1381,
 &end
#
#  106 PHE  HA            1 MET  ME          5.00    (#   5695:20  Unique         1.99, 5.09 A)
 &rst
  ixpk= 5695, nxpk= 20, iat=1667,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  20-2:5696     1 MET  ME          6.00    (#   5696:20  Single Ambig)
 &rst
  ixpk= 5696, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 119,1942,
 igr2=  15,  16,  17,
 &end
#
#    8 PRO  HD+           1 MET  ME          4.00    (#   5697:20  Unique         2.59, 4.48 A)
 &rst
  ixpk= 5697, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 135, 136,
 igr2=  15,  16,  17,
 &end
#
#    8 PRO  HD-           1 MET  ME          4.00    (#   5698:20  Unique         2.59, 4.48 A)
 &rst
  ixpk= 5698, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 135, 136,
 igr2=  15,  16,  17,
 &end
#
#    1 MET  HG+           1 MET  ME          3.00    (#   5699:20  Unique         2.03, 3.51 A)
 &rst
  ixpk= 5699, 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
#
#  123 LEU  HB-           1 MET  ME          5.00    (#   5700:20  Unique         3.36, 6.29 A)
 &rst
  ixpk= 5700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1944,1945,
 igr2=  15,  16,  17,
 &end
#
#    1 MET  HB+           1 MET  ME          3.00    (#   5701:20  Unique         2.22, 3.94 A)
 &rst
  ixpk= 5701, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=   8,   9,
 igr2=  15,  16,  17,
 &end
#
#  123 LEU  MDX           1 MET  ME          4.00    (#   5702:20  Unique         1.96, 5.80 A)
 &rst
  ixpk= 5702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=  15,  16,  17,
 &end
#
#  123 LEU  MDY           1 MET  ME          4.00    (#   5703:20  Unique         1.96, 5.80 A)
 &rst
  ixpk= 5703, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  20-2:5704     1 MET  ME          6.00    (#   5704:20  Single Ambig)
 &rst
  ixpk= 5704, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  88,  23,
 igr2=  15,  16,  17,
 &end
#
#  106 PHE  HB-           1 MET  ME          5.00    (#   5705:20  Unique         2.42, 4.41 A)
 &rst
  ixpk= 5705, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1669,1670,
 igr2=  15,  16,  17,
 &end
#
#  102 LEU  HB-           1 MET  ME          5.00    (#   5706:20  Unique         2.93, 5.83 A)
 &rst
  ixpk= 5706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1614,1615,
 igr2=  15,  16,  17,
 &end
#
#   34 ILE  HB           34 ILE  QG2         4.00    (#   5720:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 5720, nxpk= 20, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 550, 551, 552,
 &end
#
#   34 ILE  HG1+         34 ILE  QG2         4.00    (#   5721:20  Unique         2.00, 3.29 A)
 &rst
  ixpk= 5721, 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    (#   5722:20  Unique         2.00, 3.29 A)
 &rst
  ixpk= 5722, 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  20-2:5723     0 AMB  20-1:5723   3.00    (#   5723:20  Double Ambig)
 &rst
  ixpk= 5723, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1089,1090,1091,1093,1094,1095,1305,1306,
 igr2= 550, 551, 552,1301,1302,1303,
 &end
#
#    0 AMB  20-2:5724     0 AMB  20-1:5724   3.00    (#   5724:20  Double Ambig)
 &rst
  ixpk= 5724, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 557, 558, 559,1538,1539,1540,1542,1543,1544,1499,
      1500,1501, 172, 173, 174, 176, 177, 178,
 igr2= 550, 551, 552,1301,1302,1303,
 &end
#
#   81 ILE  HA           81 ILE  QG2         5.00    (#   5726:20  Unique         2.38, 3.25 A)
 &rst
  ixpk= 5726, nxpk= 20, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1301,1302,1303,
 &end
#
#    0 AMB  20-2:5734     0 AMB  20-1:5734   6.00    (#   5734:20  Double Ambig)
 &rst
  ixpk= 5734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1075,1355,
 igr2= 550, 551, 552,1301,1302,1303,
 &end
#
#    0 AMB  20-2:5735     0 AMB  20-1:5735   6.00    (#   5735:20  Double Ambig)
 &rst
  ixpk= 5735, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1075,1355,1059,
 igr2= 550, 551, 552,1301,1302,1303,
 &end
#
#   78 PRO  HA           81 ILE  QG2         5.00    (#   5736:20  Unique         3.95, 4.90 A)
 &rst
  ixpk= 5736, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1301,1302,1303,
 &end
#
#    0 AMB  20-2:5737     0 AMB  20-1:5737   3.00    (#   5737:20  Double Ambig)
 &rst
  ixpk= 5737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 281,1299, 278, 279,
 igr2=1301,1302,1303,1435,1436,1437,
 &end
#
#    0 AMB  20-2:5738    81 ILE  QG2         3.00    (#   5738:20  Single Ambig)
 &rst
  ixpk= 5738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 283, 284, 285, 287, 288, 289,1538,1539,1540,1542,
      1543,1544,
 igr2=1301,1302,1303,
 &end
#
#  120 THR  HB           27 ILE  QG2         5.00    (#   5754:20  Unique         4.10, 5.98 A)
 &rst
  ixpk= 5754, nxpk= 20, iat=1906,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 440, 441, 442,
 &end
#
#  120 THR  HA           27 ILE  QG2         4.00    (#   5755:20  Unique         1.96, 3.96 A)
 &rst
  ixpk= 5755, nxpk= 20, iat=1904,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 440, 441, 442,
 &end
#
#    0 AMB  20-2:5756    27 ILE  QG2         3.00    (#   5756:20  Single Ambig)
 &rst
  ixpk= 5756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 436,1918,1919,
 igr2= 440, 441, 442,
 &end
#
#   32 THR  HB           27 ILE  QG2         5.00    (#   5757:20  Unique         2.79, 4.32 A)
 &rst
  ixpk= 5757, nxpk= 20, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 440, 441, 442,
 &end
#
#    0 AMB  20-2:5758    27 ILE  QG2         4.00    (#   5758:20  Single Ambig)
 &rst
  ixpk= 5758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1918,1919, 455, 456,
 igr2= 440, 441, 442,
 &end
#
#    0 AMB  20-2:5759    27 ILE  QG2         6.00    (#   5759:20  Single Ambig)
 &rst
  ixpk= 5759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1930,1931,1927,1928,
 igr2= 440, 441, 442,
 &end
#
#   27 ILE  HB           27 ILE  QG2         3.00    (#   5760:20  Unique         2.28, 2.64 A)
 &rst
  ixpk= 5760, 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    (#   5761:20  Unique         2.32, 3.54 A)
 &rst
  ixpk= 5761, 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
#
#   27 ILE  HG1+         27 ILE  QG2         3.00    (#   5762:20  Unique         2.32, 3.54 A)
 &rst
  ixpk= 5762, 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
#
#   90 ILE  HA           90 ILE  QG2         4.00    (#   5763:20  Unique         2.02, 2.94 A)
 &rst
  ixpk= 5763, nxpk= 20, iat=1431,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1435,1436,1437,
 &end
#
#  139 ARG  HD+         135 MET  ME          6.00    (#   5766:20  Unique         2.70, 5.55 A)
 &rst
  ixpk= 5766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2201,2202,
 igr2=2129,2130,2131,
 &end
#
#    0 AMB  20-2:5768   135 MET  ME          5.00    (#   5768:20  Single Ambig)
 &rst
  ixpk= 5768, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2120,2056,2057,
 igr2=2129,2130,2131,
 &end
#
#  139 ARG  HD-         135 MET  ME          5.00    (#   5769:20  Unique         2.70, 5.55 A)
 &rst
  ixpk= 5769, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=2201,2202,
 igr2=2129,2130,2131,
 &end
#
#  135 MET  HB+         135 MET  ME          3.00    (#   5770:20  Unique         1.95, 3.55 A)
 &rst
  ixpk= 5770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2122,2123,
 igr2=2129,2130,2131,
 &end
#
#  136 LEU  HB-         135 MET  ME          4.00    (#   5773:20  Unique         2.21, 4.36 A)
 &rst
  ixpk= 5773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=2139,2140,
 igr2=2129,2130,2131,
 &end
#
#  138 LYS  HD+         135 MET  ME          6.00    (#   5774:20  Unique         4.70, 7.55 A)
 &rst
  ixpk= 5774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2179,2180,
 igr2=2129,2130,2131,
 &end
#
#  136 LEU  HB+         135 MET  ME          6.00    (#   5775:20  Unique         2.21, 4.36 A)
 &rst
  ixpk= 5775, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2139,2140,
 igr2=2129,2130,2131,
 &end
#
#    0 AMB  20-2:5780   135 MET  ME          5.00    (#   5780:20  Single Ambig)
 &rst
  ixpk= 5780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2193,2056,2057,
 igr2=2129,2130,2131,
 &end
#
#   94 ILE  HB           94 ILE  QD1         4.00    (#   5785:20  Unique         2.28, 3.53 A)
 &rst
  ixpk= 5785, nxpk= 20, iat=1497,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1506,1507,1508,
 &end
#
#   90 ILE  QG2          94 ILE  QD1         4.00    (#   5786:20  Unique         1.97, 3.53 A)
 &rst
  ixpk= 5786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1435,1436,1437,
 igr2=1506,1507,1508,
 &end
#
#   94 ILE  HG1+         94 ILE  QD1         4.00    (#   5787:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 5787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1503,1504,
 igr2=1506,1507,1508,
 &end
#
#   85 ALA  MB           94 ILE  QD1         4.00    (#   5788:20  Unique         2.41, 4.55 A)
 &rst
  ixpk= 5788, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1369,1370,1371,
 igr2=1506,1507,1508,
 &end
#
#   66 ALA  MB           94 ILE  QD1         5.00    (#   5789:20  Unique         1.95, 3.76 A)
 &rst
  ixpk= 5789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1077,1078,1079,
 igr2=1506,1507,1508,
 &end
#
#    0 AMB  20-2:5790    94 ILE  QD1         5.00    (#   5790:20  Single Ambig)
 &rst
  ixpk= 5790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1431,1367,1316,
 igr2=1506,1507,1508,
 &end
#
#   92 GLN  HG+          94 ILE  QD1         5.00    (#   5791:20  Unique         2.30, 4.33 A)
 &rst
  ixpk= 5791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1469,1470,
 igr2=1506,1507,1508,
 &end
#
#   90 ILE  QD1          94 ILE  QD1         6.00    (#   5793:20  Unique         2.06, 4.17 A)
 &rst
  ixpk= 5793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1442,1443,1444,
 igr2=1506,1507,1508,
 &end
#
#   51 VAL  HB           94 ILE  QD1         6.00    (#   5794:20  Unique         6.34, 7.47 A)
 &rst
  ixpk= 5794, nxpk= 20, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1506,1507,1508,
 &end
#
#  117 PHE  HB+           7 MET  ME          5.00    (#   5797:20  Unique         2.02, 3.15 A)
 &rst
  ixpk= 5797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1852,1853,
 igr2= 128, 129, 130,
 &end
#
#   80 LYS  HB-          39 ILE  QD1         4.00    (#   5801:20  Unique         2.42, 3.69 A)
 &rst
  ixpk= 5801, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1277,1278,
 igr2= 648, 649, 650,
 &end
#
#   48 MET  HA           48 MET  ME          6.00    (#   5811:20  Unique         1.89, 2.54 A)
 &rst
  ixpk= 5811, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 781, 782, 783,
 &end
#
#    0 AMB  20-2:5812    48 MET  ME          5.00    (#   5812:20  Single Ambig)
 &rst
  ixpk= 5812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 716, 717,1431,
 igr2= 781, 782, 783,
 &end
#
#   37 TRP  HB-          48 MET  ME          5.00    (#   5813:20  Unique         3.46, 5.02 A)
 &rst
  ixpk= 5813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 604, 605,
 igr2= 781, 782, 783,
 &end
#
#    0 AMB  20-2:5814    48 MET  ME          6.00    (#   5814:20  Single Ambig)
 &rst
  ixpk= 5814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 716, 717, 838, 839,
 igr2= 781, 782, 783,
 &end
#
#   48 MET  HG-          48 MET  ME          4.00    (#   5815:20  Unique         2.07, 3.52 A)
 &rst
  ixpk= 5815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 777, 778,
 igr2= 781, 782, 783,
 &end
#
#   48 MET  HB+          48 MET  ME          4.00    (#   5819:20  Unique         2.73, 4.50 A)
 &rst
  ixpk= 5819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 774, 775,
 igr2= 781, 782, 783,
 &end
#
#   90 ILE  QD1          48 MET  ME          4.00    (#   5820:20  Unique         1.90, 3.64 A)
 &rst
  ixpk= 5820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1442,1443,1444,
 igr2= 781, 782, 783,
 &end
#
#  121 GLY  HA-           7 MET  ME          5.00    (#   5822:20  Unique         1.92, 3.44 A)
 &rst
  ixpk= 5822, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1918,1919,
 igr2= 128, 129, 130,
 &end
#
#   32 THR  HB            7 MET  ME          5.00    (#   5823:20  Unique         1.98, 3.32 A)
 &rst
  ixpk= 5823, nxpk= 20, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 128, 129, 130,
 &end
#
#    0 AMB  20-2:5824     7 MET  ME          6.00    (#   5824:20  Single Ambig)
 &rst
  ixpk= 5824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 119,1942,
 igr2= 128, 129, 130,
 &end
#
#  121 GLY  HA+           7 MET  ME          5.00    (#   5825:20  Unique         1.92, 3.44 A)
 &rst
  ixpk= 5825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1918,1919,
 igr2= 128, 129, 130,
 &end
#
#  117 PHE  HB-           7 MET  ME          5.00    (#   5826:20  Unique         2.02, 3.15 A)
 &rst
  ixpk= 5826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1852,1853,
 igr2= 128, 129, 130,
 &end
#
#    7 MET  HG+           7 MET  ME          5.00    (#   5827:20  Unique         1.99, 3.33 A)
 &rst
  ixpk= 5827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 124, 125,
 igr2= 128, 129, 130,
 &end
#
#    0 AMB  20-2:5828     7 MET  ME          5.00    (#   5828:20  Single Ambig)
 &rst
  ixpk= 5828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 419, 420, 422, 363, 364,
 igr2= 128, 129, 130,
 &end
#
#    0 AMB  20-2:5829     7 MET  ME          4.00    (#   5829:20  Single Ambig)
 &rst
  ixpk= 5829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 557, 558, 559, 440, 441, 442,
 igr2= 128, 129, 130,
 &end
#
#   26 LEU  MDY           7 MET  ME          5.00    (#   5830:20  Unique         2.88, 5.88 A)
 &rst
  ixpk= 5830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 424, 425, 426, 428, 429, 430,
 igr2= 128, 129, 130,
 &end
#
#   39 ILE  HA           39 ILE  QD1         5.00    (#   5833:20  Unique         4.32, 4.99 A)
 &rst
  ixpk= 5833, nxpk= 20, iat= 637,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 648, 649, 650,
 &end
#
#   81 ILE  HA           39 ILE  QD1         5.00    (#   5834:20  Unique         3.24, 4.58 A)
 &rst
  ixpk= 5834, nxpk= 20, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 648, 649, 650,
 &end
#
#   80 LYS  HE-          39 ILE  QD1         5.00    (#   5835:20  Unique         2.42, 5.13 A)
 &rst
  ixpk= 5835, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1286,1287,
 igr2= 648, 649, 650,
 &end
#
#   39 ILE  HB           39 ILE  QD1         4.00    (#   5836:20  Unique         2.06, 2.95 A)
 &rst
  ixpk= 5836, nxpk= 20, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 648, 649, 650,
 &end
#
#   80 LYS  HD-          39 ILE  QD1         4.00    (#   5837:20  Unique         2.76, 4.92 A)
 &rst
  ixpk= 5837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1283,1284,
 igr2= 648, 649, 650,
 &end
#
#   80 LYS  HG-          39 ILE  QD1         4.00    (#   5838:20  Unique         2.41, 5.24 A)
 &rst
  ixpk= 5838, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1280,1281,
 igr2= 648, 649, 650,
 &end
#
#   39 ILE  QG2          39 ILE  QD1         3.00    (#   5840:20  Unique         1.99, 3.82 A)
 &rst
  ixpk= 5840, 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  QG2          39 ILE  QD1         5.00    (#   5842:20  Unique         5.10, 7.06 A)
 &rst
  ixpk= 5842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1301,1302,1303,
 igr2= 648, 649, 650,
 &end
#
#   81 ILE  QD1          39 ILE  QD1         5.00    (#   5843:20  Unique         2.08, 5.39 A)
 &rst
  ixpk= 5843, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1308,1309,1310,
 igr2= 648, 649, 650,
 &end
#
#   81 ILE  HG1-         39 ILE  QD1         6.00    (#   5844:20  Unique         2.03, 4.42 A)
 &rst
  ixpk= 5844, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1305,1306,
 igr2= 648, 649, 650,
 &end
#
#   37 TRP  HB+          48 MET  ME          5.00    (#   5845:20  Unique         3.46, 5.02 A)
 &rst
  ixpk= 5845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 604, 605,
 igr2= 781, 782, 783,
 &end
#
#   51 VAL  MGY          48 MET  ME          5.00    (#   5846:20  Unique         1.92, 4.81 A)
 &rst
  ixpk= 5846, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 824, 825, 826, 828, 829, 830,
 igr2= 781, 782, 783,
 &end
#
#   78 PRO  HA           81 ILE  QD1         4.00    (#   5849:20  Unique         1.99, 3.41 A)
 &rst
  ixpk= 5849, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1308,1309,1310,
 &end
#
#   81 ILE  HA           81 ILE  QD1         6.00    (#   5850:20  Unique         2.33, 4.30 A)
 &rst
  ixpk= 5850, nxpk= 20, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1308,1309,1310,
 &end
#
#    0 AMB  20-2:5851    81 ILE  QD1         6.00    (#   5851:20  Single Ambig)
 &rst
  ixpk= 5851, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1536,1259,1260,
 igr2=1308,1309,1310,
 &end
#
#   80 LYS  HB-          81 ILE  QD1         6.00    (#   5852:20  Unique         3.07, 5.74 A)
 &rst
  ixpk= 5852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1277,1278,
 igr2=1308,1309,1310,
 &end
#
#   81 ILE  HB           81 ILE  QD1         4.00    (#   5853:20  Unique         2.04, 2.96 A)
 &rst
  ixpk= 5853, nxpk= 20, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1308,1309,1310,
 &end
#
#   81 ILE  HG1+         81 ILE  QD1         4.00    (#   5854:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 5854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1305,1306,
 igr2=1308,1309,1310,
 &end
#
#   96 VAL  MGX          81 ILE  QD1         4.00    (#   5855:20  Unique         1.92, 5.14 A)
 &rst
  ixpk= 5855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1538,1539,1540,1542,1543,1544,
 igr2=1308,1309,1310,
 &end
#
#    0 AMB  20-2:5856    81 ILE  QD1         4.00    (#   5856:20  Single Ambig)
 &rst
  ixpk= 5856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1538,1539,1540,1542,1543,1544, 648, 649, 650,
 igr2=1308,1309,1310,
 &end
#
#   81 ILE  QG2          81 ILE  QD1         3.00    (#   5857:20  Unique         1.98, 4.09 A)
 &rst
  ixpk= 5857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1301,1302,1303,
 igr2=1308,1309,1310,
 &end
#
#   81 ILE  HG1-         81 ILE  QD1         5.00    (#   5858:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 5858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1305,1306,
 igr2=1308,1309,1310,
 &end
#
#  121 GLY  HA-          27 ILE  QD1         4.00    (#   5866:20  Unique         1.99, 3.59 A)
 &rst
  ixpk= 5866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1918,1919,
 igr2= 447, 448, 449,
 &end
#
#  121 GLY  HA+          27 ILE  QD1         5.00    (#   5867:20  Unique         1.99, 3.59 A)
 &rst
  ixpk= 5867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1918,1919,
 igr2= 447, 448, 449,
 &end
#
#    0 AMB  20-2:5868    27 ILE  QD1         3.00    (#   5868:20  Single Ambig)
 &rst
  ixpk= 5868, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 366, 367, 438,
 igr2= 447, 448, 449,
 &end
#
#   24 GLU  HA           27 ILE  QD1         5.00    (#   5871:20  Unique         3.34, 4.53 A)
 &rst
  ixpk= 5871, nxpk= 20, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 447, 448, 449,
 &end
#
#   27 ILE  HG1-         27 ILE  QD1         3.00    (#   5873:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 5873, 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
#
#    0 AMB  20-2:5874    27 ILE  QD1         5.00    (#   5874:20  Single Ambig)
 &rst
  ixpk= 5874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1908,1909,1910, 517, 518, 519,
 igr2= 447, 448, 449,
 &end
#
#   27 ILE  HG1+         27 ILE  QD1         3.00    (#   5875:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 5875, 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
#
#    0 AMB  20-2:5884    34 ILE  QD1         5.00    (#   5884:20  Single Ambig)
 &rst
  ixpk= 5884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 170,  15,  16,  17, 121, 122,
 igr2= 557, 558, 559,
 &end
#
#   48 MET  ME           90 ILE  QD1         4.00    (#   5888:20  Unique         1.90, 3.64 A)
 &rst
  ixpk= 5888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 781, 782, 783,
 igr2=1442,1443,1444,
 &end
#
#   90 ILE  HG1+         90 ILE  QD1         5.00    (#   5889:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 5889, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1439,1440,
 igr2=1442,1443,1444,
 &end
#
#   90 ILE  QG2          90 ILE  QD1         4.00    (#   5890:20  Unique         1.95, 3.84 A)
 &rst
  ixpk= 5890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1435,1436,1437,
 igr2=1442,1443,1444,
 &end
#
#   85 ALA  HA           90 ILE  QD1         5.00    (#   5891:20  Unique         1.94, 2.89 A)
 &rst
  ixpk= 5891, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1442,1443,1444,
 &end
#
#   85 ALA  MB           90 ILE  QD1         4.00    (#   5892:20  Unique         1.95, 3.81 A)
 &rst
  ixpk= 5892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1369,1370,1371,
 igr2=1442,1443,1444,
 &end
#
#   48 MET  HG-          90 ILE  QD1         6.00    (#   5893:20  Unique         2.22, 4.57 A)
 &rst
  ixpk= 5893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 777, 778,
 igr2=1442,1443,1444,
 &end
#
#   34 ILE  HG1+         34 ILE  QD1         3.00    (#   5899:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 5899, 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
#
#    7 MET  ME           34 ILE  QD1         4.00    (#   5900:20  Unique         2.01, 3.86 A)
 &rst
  ixpk= 5900, 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
#
#    0 AMB  20-2:5901    34 ILE  QD1         3.00    (#   5901:20  Single Ambig)
 &rst
  ixpk= 5901, 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
#
#   34 ILE  HB           34 ILE  QD1         4.00    (#   5903:20  Unique         1.99, 2.82 A)
 &rst
  ixpk= 5903, nxpk= 20, iat= 548,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 557, 558, 559,
 &end
#
#   10 LEU  MDY          34 ILE  QD1         3.00    (#   5904:20  Unique         1.97, 5.31 A)
 &rst
  ixpk= 5904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 172, 173, 174, 176, 177, 178,
 igr2= 557, 558, 559,
 &end
#
#   34 ILE  QG2          34 ILE  QD1         3.00    (#   5905:20  Unique         2.27, 4.35 A)
 &rst
  ixpk= 5905, 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
#
#   32 THR  HA           32 THR  HB          6.00    (#   5907:20  Unique         2.98, 3.03 A)
 &rst
  ixpk= 5907, nxpk= 20, iat= 513, 515, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  117 PHE  HB+          32 THR  HB          6.00    (#   5908:20  Unique         2.11, 2.87 A)
 &rst
  ixpk= 5908, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1852,1853,
 &end
#
#   27 ILE  QD1          32 THR  HB          6.00    (#   5910:20  Unique         5.12, 6.27 A)
 &rst
  ixpk= 5910, nxpk= 20, iat=  -1, 515, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 447, 448, 449,
 &end
#
#   63 ASN  HN           63 ASN  HA          4.00    (#   5911:20  Unique         2.81, 2.86 A)
 &rst
  ixpk= 5911, nxpk= 20, iat=1027,1029, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 VAL  HN           63 ASN  HA          3.00    (#   5912:20  Unique         2.25, 2.28 A)
 &rst
  ixpk= 5912, nxpk= 20, iat=1041,1029, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN  HB-          63 ASN  HA          4.00    (#   5913:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 5913, nxpk= 20, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1031,1032,
 &end
#
#   63 ASN  HB+          63 ASN  HA          4.00    (#   5914:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 5914, nxpk= 20, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1031,1032,
 &end
#
#   64 VAL  MGX          63 ASN  HA          4.00    (#   5915:20  Unique         3.27, 5.34 A)
 &rst
  ixpk= 5915, nxpk= 20, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#    0 AMB  20-2:5916    63 ASN  HA          4.00    (#   5916:20  Single Ambig)
 &rst
  ixpk= 5916, nxpk= 20, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1017,1018,1019,1021,1022,1023, 424, 425, 426, 428,
       429, 430,
 &end
#
#   64 VAL  MGY          63 ASN  HA          5.00    (#   5917:20  Unique         3.27, 5.34 A)
 &rst
  ixpk= 5917, nxpk= 20, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1047,1048,1049,1051,1052,1053,
 &end
#
#  119 LYS  HN          118 ASP  HA          4.00    (#   5919:20  Unique         2.49, 2.59 A)
 &rst
  ixpk= 5919, nxpk= 20, iat=1880,1870, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  118 ASP  HN          118 ASP  HA          4.00    (#   5920:20  Unique         2.62, 2.70 A)
 &rst
  ixpk= 5920, nxpk= 20, iat=1868,1870, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:5921   118 ASP  HA          4.00    (#   5921:20  Single Ambig)
 &rst
  ixpk= 5921, nxpk= 20, iat=  -1,1870, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 504, 505,1966,1967,
 &end
#
#   31 PRO  HB-         118 ASP  HA          4.00    (#   5922:20  Unique         2.06, 3.09 A)
 &rst
  ixpk= 5922, nxpk= 20, iat=  -1,1870, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 504, 505,
 &end
#
#  118 ASP  HB+         118 ASP  HA          4.00    (#   5923:20  Unique         2.30, 2.80 A)
 &rst
  ixpk= 5923, nxpk= 20, iat=  -1,1870, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1872,1873,
 &end
#
#    0 AMB  20-2:5924   118 ASP  HA          4.00    (#   5924:20  Single Ambig)
 &rst
  ixpk= 5924, nxpk= 20, iat=  -1,1870, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=2275,2276,2277,2279,2280,2281,2275,2276,2277,2279,
      2280,2281,
 &end
#
#   30 LYS  HA           31 PRO  HD-         3.00    (#   5925:20  Unique         2.03, 2.44 A)
 &rst
  ixpk= 5925, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 498, 499,
 &end
#
#   62 LEU  HA           62 LEU  HB-         5.00    (#   5926:20  Unique         2.20, 2.48 A)
 &rst
  ixpk= 5926, nxpk= 20, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1012,1013,
 &end
#
#   62 LEU  HA           62 LEU  HB+         5.00    (#   5927:20  Unique         2.20, 2.48 A)
 &rst
  ixpk= 5927, nxpk= 20, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1012,1013,
 &end
#
#   28 GLY  HN           28 GLY  HA-         4.00    (#   5928:20  Unique         2.59, 2.79 A)
 &rst
  ixpk= 5928, nxpk= 20, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 455, 456,
 &end
#
#  123 LEU  MDY           3 LEU  HA          5.00    (#   5930:20  Unique         1.93, 4.06 A)
 &rst
  ixpk= 5930, nxpk= 20, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1949,1950,1951,1953,1954,1955,
 &end
#
#    2 LYS  HA            3 LEU  HG          4.00    (#   5931:20  Unique         2.96, 3.58 A)
 &rst
  ixpk= 5931, nxpk= 20, iat=  23,  50, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  123 LEU  MDY           3 LEU  MDY         4.00    (#   5933:20  Unique         1.96, 6.45 A)
 &rst
  ixpk= 5933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#  126 PHE  HB-           3 LEU  MDY         6.00    (#   5934:20  Unique         2.74, 6.48 A)
 &rst
  ixpk= 5934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2004,2005,
 igr2=  52,  53,  54,  56,  57,  58,
 &end
#
#    4 ARG  HN            4 ARG  HB-         5.00    (#   5935:20  Unique         2.92, 3.76 A)
 &rst
  ixpk= 5935, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  66,  67,
 &end
#
#    4 ARG  HN            4 ARG  HB+         6.00    (#   5936:20  Unique         2.92, 3.76 A)
 &rst
  ixpk= 5936, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  66,  67,
 &end
#
#    5 GLN  HG+           5 GLN  HB+         3.00    (#   5937:20  Unique         2.26, 2.76 A)
 &rst
  ixpk= 5937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  93,  94,
 igr2=  90,  91,
 &end
#
#    5 GLN  HG+           5 GLN  HB-         3.00    (#   5938:20  Unique         2.26, 2.76 A)
 &rst
  ixpk= 5938, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  93,  94,
 igr2=  90,  91,
 &end
#
#    1 MET  HB+           5 GLN  HG+         5.00    (#   5939:20  Unique         2.52, 4.88 A)
 &rst
  ixpk= 5939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=   8,   9,
 igr2=  93,  94,
 &end
#
#  123 LEU  MDX           5 GLN  HG+         5.00    (#   5940:20  Unique         1.89, 5.52 A)
 &rst
  ixpk= 5940, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1949,1950,1951,1953,1954,1955,
 igr2=  93,  94,
 &end
#
#    3 LEU  MDX           5 GLN  HG+         5.00    (#   5941:20  Unique         4.38, 7.70 A)
 &rst
  ixpk= 5941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=  52,  53,  54,  56,  57,  58,
 igr2=  93,  94,
 &end
#
#    6 PRO  HA            6 PRO  HB+         3.00    (#   5942:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 5942, nxpk= 20, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 110, 111,
 &end
#
#    6 PRO  HA            6 PRO  HB-         3.00    (#   5943:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 5943, nxpk= 20, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 110, 111,
 &end
#
#    0 AMB  20-2:5944     0 AMB  20-1:5944   4.00    (#   5944:20  Double Ambig)
 &rst
  ixpk= 5944, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 104, 105, 885,
 igr2= 110, 111, 923, 924,
 &end
#
#    1 MET  HA            1 MET  HB-         4.00    (#   5945:20  Unique         2.38, 2.72 A)
 &rst
  ixpk= 5945, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=   8,   9,
 &end
#
#    8 PRO  HD+           8 PRO  HA          6.00    (#   5946:20  Unique         3.79, 3.88 A)
 &rst
  ixpk= 5946, nxpk= 20, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 135, 136,
 &end
#
#   11 THR  HB           11 THR  HA          4.00    (#   5948:20  Unique         2.37, 2.44 A)
 &rst
  ixpk= 5948, nxpk= 20, iat= 186, 184, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 THR  MG2          11 THR  HA          5.00    (#   5949:20  Unique         3.57, 3.94 A)
 &rst
  ixpk= 5949, nxpk= 20, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 188, 189, 190,
 &end
#
#   12 GLY  HN           11 THR  HA          5.00    (#   5950:20  Unique         2.17, 2.24 A)
 &rst
  ixpk= 5950, nxpk= 20, iat= 196, 184, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LEU  HA           17 LEU  HB+         4.00    (#   5956:20  Unique         2.24, 2.78 A)
 &rst
  ixpk= 5956, nxpk= 20, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 278, 279,
 &end
#
#   17 LEU  HA           17 LEU  HB-         5.00    (#   5957:20  Unique         2.24, 2.78 A)
 &rst
  ixpk= 5957, nxpk= 20, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 278, 279,
 &end
#
#   18 ASN  HN           17 LEU  HB-         6.00    (#   5958:20  Unique         3.04, 3.95 A)
 &rst
  ixpk= 5958, nxpk= 20, iat= 293,  -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    (#   5959:20  Unique         2.38, 3.06 A)
 &rst
  ixpk= 5959, 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    (#   5960:20  Unique         2.38, 3.06 A)
 &rst
  ixpk= 5960, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 278, 279,
 &end
#
#  144 LEU  MDX         144 LEU  HG          3.00    (#   5962:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 5962, nxpk= 20, iat=  -1,2292, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2294,2295,2296,2298,2299,2300,
 &end
#
#   18 ASN  HN           18 ASN  HB+         5.00    (#   5965:20  Unique         3.21, 3.74 A)
 &rst
  ixpk= 5965, nxpk= 20, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 297, 298,
 &end
#
#   18 ASN  HN           18 ASN  HB-         6.00    (#   5966:20  Unique         3.21, 3.74 A)
 &rst
  ixpk= 5966, nxpk= 20, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 297, 298,
 &end
#
#   19 GLY  HN           18 ASN  HB+         6.00    (#   5968:20  Unique         2.73, 3.53 A)
 &rst
  ixpk= 5968, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 297, 298,
 &end
#
#   19 GLY  HN           18 ASN  HB-         6.00    (#   5969:20  Unique         2.73, 3.53 A)
 &rst
  ixpk= 5969, nxpk= 20, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 297, 298,
 &end
#
#   94 ILE  HN           18 ASN  HB+         5.00    (#   5970:20  Unique         2.02, 3.53 A)
 &rst
  ixpk= 5970, nxpk= 20, iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 297, 298,
 &end
#
#   94 ILE  HN           18 ASN  HB-         5.00    (#   5971:20  Unique         2.02, 3.53 A)
 &rst
  ixpk= 5971, nxpk= 20, iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 297, 298,
 &end
#
#    0 AMB  20-2:5973    20 GLU  HA          6.00    (#   5973:20  Single Ambig)
 &rst
  ixpk= 5973, nxpk= 20, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1497,1061,
 &end
#
#   21 VAL  HN           20 GLU  HA          3.00    (#   5974:20  Unique         2.22, 2.49 A)
 &rst
  ixpk= 5974, nxpk= 20, iat= 329, 316, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   21 VAL  HN           21 VAL  HA          4.00    (#   5976:20  Unique         2.80, 2.89 A)
 &rst
  ixpk= 5976, nxpk= 20, iat= 329, 331, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:5977    21 VAL  HA          6.00    (#   5977:20  Single Ambig)
 &rst
  ixpk= 5977, nxpk= 20, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 405, 406, 390, 391,
 &end
#
#   25 GLN  HB+          21 VAL  HA          6.00    (#   5978:20  Unique         2.73, 3.89 A)
 &rst
  ixpk= 5978, nxpk= 20, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 402, 403,
 &end
#
#   21 VAL  HN           21 VAL  MGY         4.00    (#   5979:20  Unique         2.17, 3.96 A)
 &rst
  ixpk= 5979, 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
#
#   26 LEU  HA           21 VAL  MGY         6.00    (#   5980:20  Unique         2.10, 4.63 A)
 &rst
  ixpk= 5980, nxpk= 20, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   21 VAL  HN           21 VAL  MGX         5.00    (#   5981:20  Unique         2.17, 3.96 A)
 &rst
  ixpk= 5981, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 335, 336, 337, 339, 340, 341,
 &end
#
#   22 THR  MG2          22 THR  HB          4.00    (#   5984:20  Unique         2.32, 2.69 A)
 &rst
  ixpk= 5984, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 351, 352, 353,
 &end
#
#   25 GLN  HN           22 THR  HB          5.00    (#   5986:20  Unique         2.75, 3.33 A)
 &rst
  ixpk= 5986, nxpk= 20, iat= 398, 349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   24 GLU  HN           22 THR  HB          5.00    (#   5987:20  Unique         2.32, 2.57 A)
 &rst
  ixpk= 5987, nxpk= 20, iat= 383, 349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   23 ARG  HN           22 THR  HB          5.00    (#   5988:20  Unique         2.77, 3.04 A)
 &rst
  ixpk= 5988, nxpk= 20, iat= 359, 349, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 GLN  HE2+         22 THR  MG2         5.00    (#   5990:20  Unique         4.93, 6.41 A)
 &rst
  ixpk= 5990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 410, 411,
 igr2= 351, 352, 353,
 &end
#
#   24 GLU  HN           22 THR  MG2         4.00    (#   5991:20  Unique         3.62, 4.80 A)
 &rst
  ixpk= 5991, nxpk= 20, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 351, 352, 353,
 &end
#
#   85 ALA  MB           82 LYS  HA          3.00    (#   5992:20  Unique         3.01, 4.20 A)
 &rst
  ixpk= 5992, nxpk= 20, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1369,1370,1371,
 &end
#
#   23 ARG  HA           23 ARG  HB+         3.00    (#   5993:20  Unique         2.34, 2.51 A)
 &rst
  ixpk= 5993, nxpk= 20, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 363, 364,
 &end
#
#   24 GLU  HB-          24 GLU  HA          3.00    (#   5994:20  Unique         2.32, 2.47 A)
 &rst
  ixpk= 5994, nxpk= 20, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 387, 388,
 &end
#
#   24 GLU  HA           24 GLU  HB-         3.00    (#   5995:20  Unique         2.32, 2.47 A)
 &rst
  ixpk= 5995, nxpk= 20, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 387, 388,
 &end
#
#   27 ILE  QD1          24 GLU  HB-         5.00    (#   5996:20  Unique         5.34, 6.78 A)
 &rst
  ixpk= 5996, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 447, 448, 449,
 igr2= 387, 388,
 &end
#
#   24 GLU  HB+          24 GLU  HG-         3.00    (#   5997:20  Unique         2.29, 2.77 A)
 &rst
  ixpk= 5997, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 387, 388,
 igr2= 390, 391,
 &end
#
#   24 GLU  HB+          24 GLU  HG+         3.00    (#   5998:20  Unique         2.29, 2.77 A)
 &rst
  ixpk= 5998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 387, 388,
 igr2= 390, 391,
 &end
#
#    0 AMB  20-2:5999    24 GLU  HG-         3.00    (#   5999:20  Single Ambig)
 &rst
  ixpk= 5999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 387, 388, 402, 403,
 igr2= 390, 391,
 &end
#
#    0 AMB  20-2:6000     0 AMB  20-1:6000   3.00    (#   6000:20  Double Ambig)
 &rst
  ixpk= 6000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 387, 388, 402, 403,
 igr2= 390, 391, 390, 391,
 &end
#
#   21 VAL  MGX          24 GLU  HG-         6.00    (#   6001:20  Unique         4.53, 7.30 A)
 &rst
  ixpk= 6001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 335, 336, 337, 339, 340, 341,
 igr2= 390, 391,
 &end
#
#   21 VAL  MGX          24 GLU  HG+         5.00    (#   6002:20  Unique         4.53, 7.30 A)
 &rst
  ixpk= 6002, 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= 390, 391,
 &end
#
#   25 GLN  HN           24 GLU  HG-         5.00    (#   6005:20  Unique         1.86, 2.21 A)
 &rst
  ixpk= 6005, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 390, 391,
 &end
#
#   25 GLN  HB+          25 GLN  HA          3.00    (#   6006:20  Unique         2.54, 2.83 A)
 &rst
  ixpk= 6006, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 402, 403,
 &end
#
#    9 GLU  HA            9 GLU  HB+         4.00    (#   6007:20  Unique         2.34, 2.63 A)
 &rst
  ixpk= 6007, nxpk= 20, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 152, 153,
 &end
#
#  118 ASP  HB-         118 ASP  HA          4.00    (#   6008:20  Unique         2.30, 2.80 A)
 &rst
  ixpk= 6008, nxpk= 20, iat=  -1,1870, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1872,1873,
 &end
#
#    0 AMB  20-2:6009     0 AMB  20-1:6009   4.00    (#   6009:20  Double Ambig)
 &rst
  ixpk= 6009, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1548, 293,
 igr2=1538,1539,1540,1542,1543,1544, 283, 284, 285, 287,
       288, 289,
 &end
#
#   17 LEU  HA           17 LEU  MDY         3.00    (#   6010:20  Unique         1.98, 3.36 A)
 &rst
  ixpk= 6010, nxpk= 20, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 283, 284, 285, 287, 288, 289,
 &end
#
#    0 AMB  20-2:6012     0 AMB  20-1:6012   4.00    (#   6012:20  Double Ambig)
 &rst
  ixpk= 6012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 477, 329,
 igr2= 479, 480, 333,
 &end
#
#   27 ILE  QG2          27 ILE  HB          3.00    (#   6014:20  Unique         2.28, 2.64 A)
 &rst
  ixpk= 6014, 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    (#   6015:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 6015, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 444, 445,
 &end
#
#   29 GLU  HN           29 GLU  HG+         5.00    (#   6017:20  Unique         2.66, 4.30 A)
 &rst
  ixpk= 6017, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 467, 468,
 &end
#
#   30 LYS  HN           29 GLU  HG-         5.00    (#   6018:20  Unique         2.01, 3.98 A)
 &rst
  ixpk= 6018, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 467, 468,
 &end
#
#   31 PRO  HD+          30 LYS  HA          3.00    (#   6019:20  Unique         2.03, 2.44 A)
 &rst
  ixpk= 6019, 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          4.00    (#   6020:20  Unique         2.03, 2.44 A)
 &rst
  ixpk= 6020, nxpk= 20, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 498, 499,
 &end
#
#   30 LYS  HB+          30 LYS  HA          3.00    (#   6021:20  Unique         2.36, 2.73 A)
 &rst
  ixpk= 6021, nxpk= 20, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 479, 480,
 &end
#
#    0 AMB  20-2:6022    30 LYS  HA          4.00    (#   6022:20  Single Ambig)
 &rst
  ixpk= 6022, nxpk= 20, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 479, 480,1884,1885,
 &end
#
#    0 AMB  20-2:6023    30 LYS  HA          4.00    (#   6023:20  Single Ambig)
 &rst
  ixpk= 6023, nxpk= 20, iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 482, 483,1884,1885, 485, 486,
 &end
#
#  119 LYS  HN           30 LYS  HA          5.00    (#   6025:20  Unique         5.01, 5.11 A)
 &rst
  ixpk= 6025, nxpk= 20, iat=1880, 477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 LYS  HN           30 LYS  HB+         5.00    (#   6026:20  Unique         2.40, 3.13 A)
 &rst
  ixpk= 6026, nxpk= 20, iat= 475,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 479, 480,
 &end
#
#   59 GLN  HE2-         59 GLN  HG-         4.00    (#   6027:20  Unique         2.11, 3.38 A)
 &rst
  ixpk= 6027, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 974, 975,
 igr2= 969, 970,
 &end
#
#    0 AMB  20-2:6029    35 HIS  HA          6.00    (#   6029:20  Single Ambig)
 &rst
  ixpk= 6029, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1794,1795, 584, 585,
 &end
#
#   33 LEU  MDY          35 HIS  HA          6.00    (#   6030:20  Unique         3.83, 6.06 A)
 &rst
  ixpk= 6030, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#   33 LEU  MDX          35 HIS  HA          6.00    (#   6031:20  Unique         3.83, 6.06 A)
 &rst
  ixpk= 6031, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#   34 ILE  QG2          35 HIS  HA          6.00    (#   6032:20  Unique         3.88, 5.02 A)
 &rst
  ixpk= 6032, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 550, 551, 552,
 &end
#
#    0 AMB  20-2:6033    35 HIS  HA          5.00    (#   6033:20  Single Ambig)
 &rst
  ixpk= 6033, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 582, 546,
 &end
#
#  113 ALA  HN           35 HIS  HA          6.00    (#   6034:20  Unique         4.11, 4.28 A)
 &rst
  ixpk= 6034, nxpk= 20, iat=1780, 565, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   43 LEU  HN           42 HIS  HB-         6.00    (#   6035:20  Unique         2.07, 3.06 A)
 &rst
  ixpk= 6035, nxpk= 20, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 680, 681,
 &end
#
#   43 LEU  HN           42 HIS  HB+         6.00    (#   6036:20  Unique         2.07, 3.06 A)
 &rst
  ixpk= 6036, nxpk= 20, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 680, 681,
 &end
#
#    0 AMB  20-2:6037    43 LEU  HB-         4.00    (#   6037:20  Single Ambig)
 &rst
  ixpk= 6037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 695,2074,2075,
 igr2= 697, 698,
 &end
#
#   44 CYS  HN           43 LEU  HB-         6.00    (#   6038:20  Unique         2.59, 3.56 A)
 &rst
  ixpk= 6038, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 697, 698,
 &end
#
#   44 CYS  HN           43 LEU  HB+         6.00    (#   6039:20  Unique         2.59, 3.56 A)
 &rst
  ixpk= 6039, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 697, 698,
 &end
#
#   43 LEU  HB+          44 CYS  HA          6.00    (#   6040:20  Unique         4.22, 4.50 A)
 &rst
  ixpk= 6040, nxpk= 20, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 697, 698,
 &end
#
#   37 TRP  HB-          44 CYS  HA          6.00    (#   6041:20  Unique         2.86, 3.50 A)
 &rst
  ixpk= 6041, nxpk= 20, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 604, 605,
 &end
#
#   44 CYS  HN           44 CYS  HB-         6.00    (#   6043:20  Unique         2.13, 2.69 A)
 &rst
  ixpk= 6043, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 716, 717,
 &end
#
#   44 CYS  HN           44 CYS  HB+         5.00    (#   6044:20  Unique         2.13, 2.69 A)
 &rst
  ixpk= 6044, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 716, 717,
 &end
#
#   44 CYS  HA           44 CYS  HB-         6.00    (#   6045:20  Unique         2.27, 2.65 A)
 &rst
  ixpk= 6045, nxpk= 20, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 716, 717,
 &end
#
#   41 CYS  HB+          44 CYS  HB-         6.00    (#   6046:20  Unique         2.05, 2.76 A)
 &rst
  ixpk= 6046, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 669, 670,
 igr2= 716, 717,
 &end
#
#    0 AMB  20-2:6047     0 AMB  20-1:6047   6.00    (#   6047:20  Double Ambig)
 &rst
  ixpk= 6047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 604, 605, 669, 670,
 igr2= 716, 717, 716, 717,
 &end
#
#   49 PRO  HD+          49 PRO  HA          6.00    (#   6048:20  Unique         3.79, 3.88 A)
 &rst
  ixpk= 6048, nxpk= 20, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 788, 789,
 &end
#
#   52 ASN  HA           52 ASN  HB+         4.00    (#   6049:20  Unique         2.28, 2.56 A)
 &rst
  ixpk= 6049, nxpk= 20, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 838, 839,
 &end
#
#   66 ALA  MB           94 ILE  HA          4.00    (#   6050:20  Unique         2.00, 3.63 A)
 &rst
  ixpk= 6050, nxpk= 20, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1077,1078,1079,
 &end
#
#   55 ARG  HE           55 ARG  HB-         6.00    (#   6051:20  Unique         1.93, 3.54 A)
 &rst
  ixpk= 6051, nxpk= 20, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 887, 888,
 &end
#
#   58 TYR  HA           58 TYR  HB-         5.00    (#   6053:20  Unique         2.33, 2.71 A)
 &rst
  ixpk= 6053, nxpk= 20, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 945, 946,
 &end
#
#   58 TYR  HA           58 TYR  HB+         5.00    (#   6054:20  Unique         2.33, 2.71 A)
 &rst
  ixpk= 6054, nxpk= 20, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 945, 946,
 &end
#
#   58 TYR  HN           58 TYR  HB-         4.00    (#   6055:20  Unique         2.19, 3.24 A)
 &rst
  ixpk= 6055, nxpk= 20, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 945, 946,
 &end
#
#    0 AMB  20-2:6056    59 GLN  HA          3.00    (#   6056:20  Single Ambig)
 &rst
  ixpk= 6056, nxpk= 20, iat=  -1, 964, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 966, 967, 969, 970,
 &end
#
#   59 GLN  HG-          59 GLN  HB+         3.00    (#   6057:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 6057, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 969, 970,
 igr2= 966, 967,
 &end
#
#   60 ASP  HN           60 ASP  HA          3.00    (#   6059:20  Unique         2.75, 2.89 A)
 &rst
  ixpk= 6059, nxpk= 20, iat= 979, 981, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 GLN  HN           60 ASP  HA          4.00    (#   6060:20  Unique         3.07, 3.25 A)
 &rst
  ixpk= 6060, nxpk= 20, iat= 991, 981, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   62 LEU  HN           60 ASP  HA          5.00    (#   6061:20  Unique         4.18, 4.41 A)
 &rst
  ixpk= 6061, nxpk= 20, iat=1008, 981, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:6063    60 ASP  HA          3.00    (#   6063:20  Single Ambig)
 &rst
  ixpk= 6063, nxpk= 20, iat=  -1, 981, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 983, 984, 983, 984,
 &end
#
#   61 GLN  HN           62 LEU  HB-         6.00    (#   6064:20  Unique         4.50, 5.18 A)
 &rst
  ixpk= 6064, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1012,1013,
 &end
#
#   61 GLN  HN           62 LEU  HB+         6.00    (#   6065:20  Unique         4.50, 5.18 A)
 &rst
  ixpk= 6065, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1012,1013,
 &end
#
#   63 ASN  HN           62 LEU  HB-         6.00    (#   6066:20  Unique         2.77, 3.65 A)
 &rst
  ixpk= 6066, nxpk= 20, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1012,1013,
 &end
#
#   63 ASN  HN           62 LEU  HB+         6.00    (#   6067:20  Unique         2.77, 3.65 A)
 &rst
  ixpk= 6067, nxpk= 20, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1012,1013,
 &end
#
#   92 GLN  HN           64 VAL  MGY         5.00    (#   6068:20  Unique         5.47, 6.83 A)
 &rst
  ixpk= 6068, nxpk= 20, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1047,1048,1049,1051,1052,1053,
 &end
#
#   92 GLN  HG+          65 VAL  HA          4.00    (#   6069:20  Unique         2.01, 4.12 A)
 &rst
  ixpk= 6069, nxpk= 20, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1469,1470,
 &end
#
#  120 THR  HB          120 THR  MG2         3.00    (#   6070:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 6070, nxpk= 20, iat=1906,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1908,1909,1910,
 &end
#
#   67 VAL  MGY          67 VAL  HA          5.00    (#   6071:20  Unique         2.12, 3.16 A)
 &rst
  ixpk= 6071, nxpk= 20, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   67 VAL  MGX          67 VAL  HA          5.00    (#   6072:20  Unique         2.12, 3.16 A)
 &rst
  ixpk= 6072, nxpk= 20, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1089,1090,1091,1093,1094,1095,
 &end
#
#   68 HIS  HN           67 VAL  HA          4.00    (#   6073:20  Unique         2.18, 2.20 A)
 &rst
  ixpk= 6073, nxpk= 20, iat=1099,1085, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   95 PHE  HN           67 VAL  HA          4.00    (#   6074:20  Unique         2.14, 2.85 A)
 &rst
  ixpk= 6074, nxpk= 20, iat=1512,1085, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  106 PHE  HB-         106 PHE  HA          4.00    (#   6076:20  Unique         2.44, 2.82 A)
 &rst
  ixpk= 6076, nxpk= 20, iat=  -1,1667, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1669,1670,
 &end
#
#   88 HIS  HB+          88 HIS  HA          3.00    (#   6077:20  Unique         2.30, 2.76 A)
 &rst
  ixpk= 6077, nxpk= 20, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1404,1405,
 &end
#
#   90 ILE  QD1          90 ILE  QG2         4.00    (#   6078:20  Unique         1.95, 3.84 A)
 &rst
  ixpk= 6078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1442,1443,1444,
 igr2=1435,1436,1437,
 &end
#
#   92 GLN  HN           92 GLN  HA          5.00    (#   6079:20  Unique         2.68, 2.75 A)
 &rst
  ixpk= 6079, nxpk= 20, iat=1462,1464, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:6080    92 GLN  HA          3.00    (#   6080:20  Single Ambig)
 &rst
  ixpk= 6080, nxpk= 20, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1480,1481,1480,1481,
 &end
#
#   92 GLN  HB+          92 GLN  HA          3.00    (#   6081:20  Unique         2.30, 2.48 A)
 &rst
  ixpk= 6081, nxpk= 20, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1466,1467,
 &end
#
#   92 GLN  HB-          92 GLN  HA          4.00    (#   6082:20  Unique         2.30, 2.48 A)
 &rst
  ixpk= 6082, nxpk= 20, iat=  -1,1464, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1466,1467,
 &end
#
#   92 GLN  HN           92 GLN  HB+         6.00    (#   6083:20  Unique         2.14, 2.93 A)
 &rst
  ixpk= 6083, nxpk= 20, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1466,1467,
 &end
#
#   67 VAL  MGY          95 PHE  HB-         6.00    (#   6084:20  Unique         2.02, 4.91 A)
 &rst
  ixpk= 6084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1089,1090,1091,1093,1094,1095,
 igr2=1516,1517,
 &end
#
#   95 PHE  HN           95 PHE  HB-         5.00    (#   6085:20  Unique         2.11, 2.67 A)
 &rst
  ixpk= 6085, nxpk= 20, iat=1512,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1516,1517,
 &end
#
#  100 HIS  HN          100 HIS  HA          3.00    (#   6086:20  Unique         2.19, 2.28 A)
 &rst
  ixpk= 6086, nxpk= 20, iat=1583,1585, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  102 LEU  HG          102 LEU  HA          4.00    (#   6087:20  Unique         2.20, 3.14 A)
 &rst
  ixpk= 6087, nxpk= 20, iat=1617,1612, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  113 ALA  HN          111 VAL  MGY         4.00    (#   6088:20  Unique         3.75, 5.50 A)
 &rst
  ixpk= 6088, nxpk= 20, iat=1780,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1756,1757,1758,1760,1761,1762,
 &end
#
#  126 PHE  HA          115 TYR  HA          4.00    (#   6089:20  Unique         1.96, 2.12 A)
 &rst
  ixpk= 6089, nxpk= 20, iat=2002,1813, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  115 TYR  HN          115 TYR  HA          5.00    (#   6090:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 6090, nxpk= 20, iat=1811,1813, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  116 VAL  HN          115 TYR  HA          4.00    (#   6091:20  Unique         2.19, 2.27 A)
 &rst
  ixpk= 6091, nxpk= 20, iat=1832,1813, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  115 TYR  HB-         115 TYR  HA          5.00    (#   6092:20  Unique         2.63, 2.86 A)
 &rst
  ixpk= 6092, nxpk= 20, iat=  -1,1813, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1815,1816,
 &end
#
#  115 TYR  HB+         115 TYR  HA          4.00    (#   6093:20  Unique         2.63, 2.86 A)
 &rst
  ixpk= 6093, nxpk= 20, iat=  -1,1813, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1815,1816,
 &end
#
#  126 PHE  HB-         115 TYR  HA          5.00    (#   6094:20  Unique         2.24, 3.38 A)
 &rst
  ixpk= 6094, nxpk= 20, iat=  -1,1813, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2004,2005,
 &end
#
#    0 AMB  20-2:6095   115 TYR  HA          5.00    (#   6095:20  Single Ambig)
 &rst
  ixpk= 6095, nxpk= 20, iat=  -1,1813, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#    0 AMB  20-2:6096   115 TYR  HA          4.00    (#   6096:20  Single Ambig)
 &rst
  ixpk= 6096, nxpk= 20, iat=  -1,1813, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1949,1950,1951,1953,1954,1955,2144,2145,2146,2148,
      2149,2150,
 &end
#
#    0 AMB  20-2:6097   116 VAL  HA          3.00    (#   6097:20  Single Ambig)
 &rst
  ixpk= 6097, nxpk= 20, iat=  -1,1834, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#   33 LEU  MDY         116 VAL  HA          4.00    (#   6098:20  Unique         2.07, 4.62 A)
 &rst
  ixpk= 6098, nxpk= 20, iat=  -1,1834, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 534, 535, 536, 538, 539, 540,
 &end
#
#  116 VAL  HB          116 VAL  HA          5.00    (#   6099:20  Unique         2.77, 2.96 A)
 &rst
  ixpk= 6099, nxpk= 20, iat=1836,1834, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 LEU  HA          116 VAL  HA          4.00    (#   6100:20  Unique         2.45, 2.62 A)
 &rst
  ixpk= 6100, nxpk= 20, iat= 527,1834, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  116 VAL  HN          116 VAL  HA          5.00    (#   6101:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 6101, nxpk= 20, iat=1832,1834, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 PHE  HN          116 VAL  HA          4.00    (#   6102:20  Unique         2.18, 2.25 A)
 &rst
  ixpk= 6102, nxpk= 20, iat=1848,1834, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  123 LEU  HN          122 GLN  HA          3.00    (#   6104:20  Unique         2.20, 2.22 A)
 &rst
  ixpk= 6104, nxpk= 20, iat=1940,1925, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:6105   122 GLN  HA          4.00    (#   6105:20  Single Ambig)
 &rst
  ixpk= 6105, nxpk= 20, iat=  -1,1925, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 117,1868,1916,
 &end
#
#  122 GLN  HN          122 GLN  HA          5.00    (#   6106:20  Unique         2.82, 2.89 A)
 &rst
  ixpk= 6106, nxpk= 20, iat=1923,1925, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:6107   122 GLN  HA          5.00    (#   6107:20  Single Ambig)
 &rst
  ixpk= 6107, nxpk= 20, iat=  -1,1925, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  64,1942,
 &end
#
#    0 AMB  20-2:6108   122 GLN  HA          3.00    (#   6108:20  Single Ambig)
 &rst
  ixpk= 6108, nxpk= 20, iat=  -1,1925, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1930,1931,1927,1928,
 &end
#
#  122 GLN  HG-         122 GLN  HA          4.00    (#   6109:20  Unique         2.08, 3.08 A)
 &rst
  ixpk= 6109, nxpk= 20, iat=  -1,1925, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1930,1931,
 &end
#
#    0 AMB  20-2:6110   122 GLN  HA          4.00    (#   6110:20  Single Ambig)
 &rst
  ixpk= 6110, nxpk= 20, iat=  -1,1925, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 110, 111,1927,1928,
 &end
#
#    0 AMB  20-2:6111   122 GLN  HA          5.00    (#   6111:20  Single Ambig)
 &rst
  ixpk= 6111, nxpk= 20, iat=  -1,1925, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 128, 129, 130,1944,1945,
 &end
#
#  129 GLY  HN          128 ALA  HA          4.00    (#   6112:20  Unique         2.19, 2.24 A)
 &rst
  ixpk= 6112, nxpk= 20, iat=2047,2039, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  128 ALA  MB          128 ALA  HA          3.00    (#   6113:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 6113, nxpk= 20, iat=  -1,2039, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2041,2042,2043,
 &end
#
#  128 ALA  HA          128 ALA  MB          3.00    (#   6114:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 6114, nxpk= 20, iat=2039,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=2041,2042,2043,
 &end
#
#   36 PHE  HB+          36 PHE  HA          5.00    (#   6115:20  Unique         2.47, 2.83 A)
 &rst
  ixpk= 6115, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 584, 585,
 &end
#
#  113 ALA  MB           36 PHE  HA          6.00    (#   6116:20  Unique         4.67, 6.24 A)
 &rst
  ixpk= 6116, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1784,1785,1786,
 &end
#
#   66 ALA  MB           36 PHE  HA          6.00    (#   6117:20  Unique         4.32, 5.62 A)
 &rst
  ixpk= 6117, nxpk= 20, iat=  -1, 582, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1077,1078,1079,
 &end
#
#  103 THR  HN          103 THR  HB          6.00    (#   6118:20  Unique         2.09, 2.77 A)
 &rst
  ixpk= 6118, nxpk= 20, iat=1629,1633, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:6119     0 AMB  20-1:6119   3.00    (#   6119:20  Double Ambig)
 &rst
  ixpk= 6119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1259,1260,1944,1945,
 igr2=1253,1254, 104, 105,
 &end
#
#    0 AMB  20-2:6120     0 AMB  20-1:6120   3.00    (#   6120:20  Double Ambig)
 &rst
  ixpk= 6120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1256,1257, 107, 108, 107, 108,
 igr2=1253,1254, 104, 105, 104, 105,
 &end
#
#    8 PRO  HA            8 PRO  HB-         3.00    (#   6121:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 6121, nxpk= 20, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 141, 142,
 &end
#
#   14 LYS  HB-          98 SER  HB+         6.00    (#   6124:20  Unique         2.55, 4.61 A)
 &rst
  ixpk= 6124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 222, 223,
 igr2=1564,1565,
 &end
#
#  138 LYS  HD+         138 LYS  HA          4.00    (#   6125:20  Unique         2.04, 3.30 A)
 &rst
  ixpk= 6125, nxpk= 20, iat=  -1,2171, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2179,2180,
 &end
#
#   71 ARG  HN           71 ARG  HD-         6.00    (#   6126:20  Unique         3.11, 4.87 A)
 &rst
  ixpk= 6126, nxpk= 20, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1157,1158,
 &end
#
#  111 VAL  MGX          37 TRP  HA          5.00    (#   6128:20  Unique         1.97, 3.91 A)
 &rst
  ixpk= 6128, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756,1757,1758,1760,1761,1762,
 &end
#
#    4 ARG  HN            0 AMB  20-1:6131   5.00    (#   6131:20  Single Ambig)
 &rst
  ixpk= 6131, nxpk= 20, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=  72,  73,  72,  73,
 &end
#
#    9 GLU  HN            8 PRO  HA          4.00    (#   6132:20  Unique         3.49, 3.53 A)
 &rst
  ixpk= 6132, nxpk= 20, iat= 148, 144, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 GLU  HN           23 ARG  HA          5.00    (#   6136:20  Unique         3.52, 3.59 A)
 &rst
  ixpk= 6136, nxpk= 20, iat= 383, 361, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 ILE  QG2          28 GLY  HA-         5.00    (#   6137:20  Unique         3.11, 6.06 A)
 &rst
  ixpk= 6137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 440, 441, 442,
 igr2= 455, 456,
 &end
#
#   30 LYS  HA           30 LYS  HG+         5.00    (#   6138:20  Unique         2.44, 2.87 A)
 &rst
  ixpk= 6138, nxpk= 20, iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 482, 483,
 &end
#
#   34 ILE  HB           34 ILE  HA          6.00    (#   6140:20  Unique         3.00, 3.02 A)
 &rst
  ixpk= 6140, nxpk= 20, iat= 548, 546, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 LEU  MDY          35 HIS  HB-         6.00    (#   6141:20  Unique         1.96, 5.32 A)
 &rst
  ixpk= 6141, 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= 567, 568,
 &end
#
#   33 LEU  MDX          35 HIS  HB+         6.00    (#   6142:20  Unique         1.96, 5.32 A)
 &rst
  ixpk= 6142, 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= 567, 568,
 &end
#
#   39 ILE  HG1+         39 ILE  HB          4.00    (#   6144:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 6144, nxpk= 20, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 645, 646,
 &end
#
#   43 LEU  HA           43 LEU  MDY         4.00    (#   6145:20  Unique         1.99, 3.83 A)
 &rst
  ixpk= 6145, nxpk= 20, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   63 ASN  HD2+         63 ASN  HB-         6.00    (#   6147:20  Unique         2.11, 3.27 A)
 &rst
  ixpk= 6147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1036,1037,
 igr2=1031,1032,
 &end
#
#   32 THR  HG1          63 ASN  HB-         6.00    (#   6148:20  Unique         2.86, 4.12 A)
 &rst
  ixpk= 6148, nxpk= 20, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1031,1032,
 &end
#
#   67 VAL  HB           67 VAL  HA          6.00    (#   6149:20  Unique         2.54, 2.97 A)
 &rst
  ixpk= 6149, nxpk= 20, iat=1087,1085, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   95 PHE  HB-          67 VAL  MGX         6.00    (#   6150:20  Unique         2.02, 4.91 A)
 &rst
  ixpk= 6150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1516,1517,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   66 ALA  HA           67 VAL  MGX         6.00    (#   6151:20  Unique         3.22, 5.27 A)
 &rst
  ixpk= 6151, nxpk= 20, iat=1075,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1089,1090,1091,1093,1094,1095,
 &end
#
#   68 HIS  HN           68 HIS  HA          6.00    (#   6152:20  Unique         2.82, 2.86 A)
 &rst
  ixpk= 6152, nxpk= 20, iat=1099,1101, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   71 ARG  HN           71 ARG  HB-         6.00    (#   6153:20  Unique         2.05, 2.60 A)
 &rst
  ixpk= 6153, nxpk= 20, iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1151,1152,
 &end
#
#   72 SER  HB-          72 SER  HA          3.00    (#   6154:20  Unique         2.46, 2.86 A)
 &rst
  ixpk= 6154, nxpk= 20, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1175,1176,
 &end
#
#   72 SER  HB+          72 SER  HA          4.00    (#   6155:20  Unique         2.46, 2.86 A)
 &rst
  ixpk= 6155, nxpk= 20, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1175,1176,
 &end
#
#   72 SER  HN           72 SER  HA          5.00    (#   6156:20  Unique         2.88, 2.89 A)
 &rst
  ixpk= 6156, nxpk= 20, iat=1171,1173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   72 SER  HN           72 SER  HB+         6.00    (#   6157:20  Unique         2.30, 3.08 A)
 &rst
  ixpk= 6157, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1175,1176,
 &end
#
#   78 PRO  HD-          78 PRO  HG-         4.00    (#   6158:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 6158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1253,1254,
 igr2=1256,1257,
 &end
#
#   37 TRP  HZ3          81 ILE  HA          6.00    (#   6159:20  Unique         4.84, 5.40 A)
 &rst
  ixpk= 6159, nxpk= 20, iat= 617,1297, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:6160    81 ILE  HA          6.00    (#   6160:20  Single Ambig)
 &rst
  ixpk= 6160, nxpk= 20, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 639,1318,1319,
 &end
#
#   82 LYS  HN           81 ILE  QD1         6.00    (#   6161:20  Unique         4.56, 5.33 A)
 &rst
  ixpk= 6161, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1308,1309,1310,
 &end
#
#   78 PRO  HB+          81 ILE  QD1         6.00    (#   6162:20  Unique         3.59, 5.44 A)
 &rst
  ixpk= 6162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1259,1260,
 igr2=1308,1309,1310,
 &end
#
#    7 MET  HN            6 PRO  HD-         6.00    (#   6163:20  Unique         4.23, 5.33 A)
 &rst
  ixpk= 6163, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 104, 105,
 &end
#
#    0 AMB  20-2:6164     0 AMB  20-1:6164   3.00    (#   6164:20  Double Ambig)
 &rst
  ixpk= 6164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1647,1648, 736, 737,
 igr2=1645, 656,
 &end
#
#   58 TYR  HN           56 ASP  HB+         6.00    (#   6166:20  Unique         5.02, 5.99 A)
 &rst
  ixpk= 6166, nxpk= 20, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 911, 912,
 &end
#
#   56 ASP  HN           53 GLU  HA          5.00    (#   6167:20  Unique         3.62, 3.74 A)
 &rst
  ixpk= 6167, nxpk= 20, iat= 907, 850, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:6168    52 ASN  HA          5.00    (#   6168:20  Single Ambig)
 &rst
  ixpk= 6168, nxpk= 20, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 883,1429,
 &end
#
#   10 LEU  HN           10 LEU  HB-         6.00    (#   6172:20  Unique         2.16, 3.13 A)
 &rst
  ixpk= 6172, nxpk= 20, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 167, 168,
 &end
#
#   16 TRP  HN           16 TRP  HB-         6.00    (#   6173:20  Unique         2.66, 3.51 A)
 &rst
  ixpk= 6173, nxpk= 20, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 254, 255,
 &end
#
#   16 TRP  HE3          16 TRP  HB-         6.00    (#   6174:20  Unique         2.42, 3.40 A)
 &rst
  ixpk= 6174, nxpk= 20, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 254, 255,
 &end
#
#   16 TRP  HD1          16 TRP  HB-         6.00    (#   6175:20  Unique         2.60, 3.21 A)
 &rst
  ixpk= 6175, nxpk= 20, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 254, 255,
 &end
#
#   16 TRP  HD1          16 TRP  HB+         6.00    (#   6176:20  Unique         2.60, 3.21 A)
 &rst
  ixpk= 6176, nxpk= 20, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 254, 255,
 &end
#
#   20 GLU  HG-          16 TRP  HB-         6.00    (#   6177:20  Unique         1.85, 3.45 A)
 &rst
  ixpk= 6177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 321, 322,
 igr2= 254, 255,
 &end
#
#   20 GLU  HG+          16 TRP  HB-         6.00    (#   6178:20  Unique         1.85, 3.45 A)
 &rst
  ixpk= 6178, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 321, 322,
 igr2= 254, 255,
 &end
#
#   17 LEU  HN           16 TRP  HB+         6.00    (#   6180:20  Unique         2.83, 3.62 A)
 &rst
  ixpk= 6180, nxpk= 20, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 254, 255,
 &end
#
#   36 PHE  HN           36 PHE  HA          4.00    (#   6181:20  Unique         2.89, 2.92 A)
 &rst
  ixpk= 6181, nxpk= 20, iat= 580, 582, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   40 SER  HN           39 ILE  HB          6.00    (#   6182:20  Unique         4.31, 4.41 A)
 &rst
  ixpk= 6182, nxpk= 20, iat= 654, 639, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:6184     1 MET  ME          6.00    (#   6184:20  Single Ambig)
 &rst
  ixpk= 6184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1665, 117,
 igr2=  15,  16,  17,
 &end
#
#  117 PHE  HN            0 AMB  20-1:6185   5.00    (#   6185:20  Single Ambig)
 &rst
  ixpk= 6185, nxpk= 20, iat=1848,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2=1838,1839,1840,1842,1843,1844,1838,1839,1840,1842,
      1843,1844,
 &end
#
#  114 TYR  HN          126 PHE  HA          6.00    (#   6188:20  Unique         4.54, 4.77 A)
 &rst
  ixpk= 6188, nxpk= 20, iat=1790,2002, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:6190   143 VAL  HA          6.00    (#   6190:20  Single Ambig)
 &rst
  ixpk= 6190, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2252,2253,2252,2253,
 &end
#
#   18 ASN  HN           17 LEU  HB+         6.00    (#   6193:20  Unique         3.04, 3.95 A)
 &rst
  ixpk= 6193, nxpk= 20, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 278, 279,
 &end
#
#   33 LEU  HN           63 ASN  HB-         6.00    (#   6194:20  Unique         3.48, 4.20 A)
 &rst
  ixpk= 6194, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1031,1032,
 &end
#
#   33 LEU  HN           63 ASN  HB+         6.00    (#   6195:20  Unique         3.48, 4.20 A)
 &rst
  ixpk= 6195, nxpk= 20, iat= 525,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1031,1032,
 &end
#
#   46 GLU  HN           46 GLU  HG-         4.00    (#   6196:20  Unique         1.93, 2.52 A)
 &rst
  ixpk= 6196, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 752, 753,
 &end
#
#   21 VAL  HN           20 GLU  HB-         5.00    (#   6197:20  Unique         2.25, 3.64 A)
 &rst
  ixpk= 6197, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 318, 319,
 &end
#
#   21 VAL  HN           20 GLU  HB+         6.00    (#   6198:20  Unique         2.25, 3.64 A)
 &rst
  ixpk= 6198, nxpk= 20, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 318, 319,
 &end
#
#    0 AMB  20-2:6207    10 LEU  MDY         5.00    (#   6207:20  Single Ambig)
 &rst
  ixpk= 6207, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1617, 128, 129, 130,
 igr2= 172, 173, 174, 176, 177, 178,
 &end
#
#    5 GLN  HN          123 LEU  HB-         6.00    (#   6210:20  Unique         1.75, 2.20 A)
 &rst
  ixpk= 6210, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1944,1945,
 &end
#
#    5 GLN  HN          123 LEU  HB+         6.00    (#   6211:20  Unique         1.75, 2.20 A)
 &rst
  ixpk= 6211, nxpk= 20, iat=  86,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1944,1945,
 &end
#
#  117 PHE  HN            7 MET  ME          6.00    (#   6212:20  Unique         4.77, 5.66 A)
 &rst
  ixpk= 6212, nxpk= 20, iat=1848,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 128, 129, 130,
 &end
#
#   46 GLU  HN           46 GLU  HG+         5.00    (#   6214:20  Unique         1.93, 2.52 A)
 &rst
  ixpk= 6214, nxpk= 20, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 752, 753,
 &end
#
#   31 PRO  HB-         143 VAL  MGX         6.00    (#   6215:20  Unique         2.05, 4.13 A)
 &rst
  ixpk= 6215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 504, 505,
 igr2=2275,2276,2277,2279,2280,2281,
 &end
#
#  115 TYR  HD          128 ALA  MB          6.00    (#   6216:20  Unique         4.75, 7.79 A)
 &rst
  ixpk= 6216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1819,1828,
 igr2=2041,2042,2043,
 &end
#
#   51 VAL  MGX         133 MET  ME          5.00    (#   6217:20  Unique         2.17, 5.82 A)
 &rst
  ixpk= 6217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 824, 825, 826, 828, 829, 830,
 igr2=2090,2091,2092,
 &end
#
#  111 VAL  HN          111 VAL  HA          5.00    (#   6218:20  Unique         2.21, 2.31 A)
 &rst
  ixpk= 6218, nxpk= 20, iat=1750,1752, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 LEU  HA          123 LEU  HB+         5.00    (#   6219:20  Unique         1.94, 3.26 A)
 &rst
  ixpk= 6219, nxpk= 20, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1944,1945,
 &end
#
#  111 VAL  MGX           0 AMB  20-1:6220   4.00    (#   6220:20  Single Ambig)
 &rst
  ixpk= 6220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1754,1773,1774,
 &end
#
#    0 AMB  20-2:6221     0 AMB  20-1:6221   4.00    (#   6221:20  Double Ambig)
 &rst
  ixpk= 6221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=  72,  73,  72,  73,
 igr2=  69,  70,  69,  70,
 &end
#
#  124 ARG  HN          124 ARG  HB+         6.00    (#   6222:20  Unique         2.16, 2.99 A)
 &rst
  ixpk= 6222, nxpk= 20, iat=1959,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1963,1964,
 &end
#
#  124 ARG  HN          124 ARG  HB-         6.00    (#   6223:20  Unique         2.16, 2.99 A)
 &rst
  ixpk= 6223, nxpk= 20, iat=1959,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1963,1964,
 &end
#
#  139 ARG  HN          139 ARG  HG+         6.00    (#   6224:20  Unique         2.68, 4.02 A)
 &rst
  ixpk= 6224, nxpk= 20, iat=2191,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2198,2199,
 &end
#
#  142 ARG  HA            0 AMB  20-1:6225   4.00    (#   6225:20  Single Ambig)
 &rst
  ixpk= 6225, nxpk= 20, iat=2247,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=2252,2253,2252,2253,
 &end
#
#    0 AMB  20-2:6226     0 AMB  20-1:6226   4.00    (#   6226:20  Double Ambig)
 &rst
  ixpk= 6226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=2255,2256,2255,2256,
 igr2=2252,2253,2252,2253,
 &end
#
#  111 VAL  MGY          71 ARG  HD-         4.00    (#   6227:20  Unique         2.17, 5.30 A)
 &rst
  ixpk= 6227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1756,1757,1758,1760,1761,1762,
 igr2=1157,1158,
 &end
#
#   20 GLU  HG+          16 TRP  HB+         6.00    (#   6228:20  Unique         1.85, 3.45 A)
 &rst
  ixpk= 6228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 321, 322,
 igr2= 254, 255,
 &end
#
#   20 GLU  HG-          16 TRP  HB+         6.00    (#   6229:20  Unique         1.85, 3.45 A)
 &rst
  ixpk= 6229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 321, 322,
 igr2= 254, 255,
 &end
#
#   35 HIS  HD2          35 HIS  HB-         5.00    (#   6230:20  Unique         2.94, 3.56 A)
 &rst
  ixpk= 6230, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 567, 568,
 &end
#
#  100 HIS  HD2         100 HIS  HB-         6.00    (#   6231:20  Unique         2.74, 3.63 A)
 &rst
  ixpk= 6231, nxpk= 20, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1587,1588,
 &end
#
#   45 LYS  HD+          39 ILE  HA          6.00    (#   6233:20  Unique         3.26, 3.81 A)
 &rst
  ixpk= 6233, nxpk= 20, iat=  -1, 637, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 733, 734,
 &end
#
#  146 GLU  HG+         143 VAL  HA          5.00    (#   6235:20  Unique         1.94, 2.81 A)
 &rst
  ixpk= 6235, nxpk= 20, iat=  -1,2271, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2321,2322,
 &end
#
#   78 PRO  HD-          78 PRO  HB-         4.00    (#   6237:20  Unique         3.53, 3.89 A)
 &rst
  ixpk= 6237, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1253,1254,
 igr2=1259,1260,
 &end
#
#   27 ILE  HG1+         24 GLU  HA          5.00    (#   6238:20  Unique         2.74, 3.66 A)
 &rst
  ixpk= 6238, nxpk= 20, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 444, 445,
 &end
#
#  102 LEU  HG          102 LEU  MDY         6.00    (#   6240:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 6240, nxpk= 20, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#  115 TYR  HA          115 TYR  HB-         6.00    (#   6241:20  Unique         2.63, 2.86 A)
 &rst
  ixpk= 6241, nxpk= 20, iat=1813,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1815,1816,
 &end
#
#   94 ILE  HG1-         94 ILE  HA          5.00    (#   6242:20  Unique         2.32, 3.15 A)
 &rst
  ixpk= 6242, nxpk= 20, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1503,1504,
 &end
#
#   43 LEU  HB+          43 LEU  MDY         3.00    (#   6244:20  Unique         1.98, 3.32 A)
 &rst
  ixpk= 6244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 697, 698,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   96 VAL  MGY          15 ALA  HA          6.00    (#   6245:20  Unique         3.74, 5.78 A)
 &rst
  ixpk= 6245, nxpk= 20, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1538,1539,1540,1542,1543,1544,
 &end
#
#   18 ASN  HD2+         85 ALA  MB          6.00    (#   6247:20  Unique         3.82, 5.92 A)
 &rst
  ixpk= 6247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 302, 303,
 igr2=1369,1370,1371,
 &end
#
#   71 ARG  HB-          69 MET  HA          5.00    (#   6249:20  Unique         5.18, 6.08 A)
 &rst
  ixpk= 6249, nxpk= 20, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1151,1152,
 &end
#
#   77 ASP  HN           70 PRO  HA          6.00    (#   6253:20  Unique         5.41, 5.82 A)
 &rst
  ixpk= 6253, nxpk= 20, iat=1240,1143, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:6254    35 HIS  HA          5.00    (#   6254:20  Single Ambig)
 &rst
  ixpk= 6254, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 576,1739,1744,
 &end
#
#    0 AMB  20-2:6255    35 HIS  HA          5.00    (#   6255:20  Single Ambig)
 &rst
  ixpk= 6255, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 588, 596,1798,1807,
 &end
#
#   97 ASP  HB-          97 ASP  HA          6.00    (#   6258:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 6258, nxpk= 20, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1552,1553,
 &end
#
#    0 AMB  20-2:6259    97 ASP  HA          5.00    (#   6259:20  Single Ambig)
 &rst
  ixpk= 6259, nxpk= 20, iat=  -1,1550, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1560, 240,
 &end
#
#   97 ASP  HN           97 ASP  HA          6.00    (#   6260:20  Unique         2.17, 2.58 A)
 &rst
  ixpk= 6260, nxpk= 20, iat=1548,1550, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   66 ALA  HN           65 VAL  MGX         4.00    (#   6262:20  Unique         2.15, 4.57 A)
 &rst
  ixpk= 6262, nxpk= 20, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1063,1064,1065,1067,1068,1069,
 &end
#
#   37 TRP  HZ2          90 ILE  QG2         6.00    (#   6263:20  Unique         2.04, 4.15 A)
 &rst
  ixpk= 6263, nxpk= 20, iat= 613,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1435,1436,1437,
 &end
#
#  104 ASP  HN          104 ASP  HA          5.00    (#   6264:20  Unique         2.85, 2.88 A)
 &rst
  ixpk= 6264, nxpk= 20, iat=1643,1645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 PHE  HE           33 LEU  MDX         5.00    (#   6265:20  Unique         1.90, 4.97 A)
 &rst
  ixpk= 6265, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 873, 877,
 igr2= 534, 535, 536, 538, 539, 540,
 &end
# 2357 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) -141.0 -81.0
 &rst     iat =   179,   181,   183,   193,
	  r1 = -142.0, r2 = -141.0, r3 = -81.0, r4 = -80.0,
	&end

# 11 THR PSI:  (11 THR N)-(11 THR CA)-(11 THR C)-(12 GLY N) 101.0 161.0
 &rst     iat =   181,   183,   193,   195,
	  r1 = 100.0, r2 = 101.0, r3 = 161.0, r4 = 162.0,
	&end

# 12 GLY PHI:  (11 THR C)-(12 GLY N)-(12 GLY CA)-(12 GLY C) -121.0 -61.0
 &rst     iat =   193,   195,   197,   200,
	  r1 = -122.0, r2 = -121.0, r3 = -61.0, r4 = -60.0,
	&end

# 12 GLY PSI:  (12 GLY N)-(12 GLY CA)-(12 GLY C)-(13 GLU N)  96.0 156.0
 &rst     iat =   195,   197,   200,   202,
	  r1 =  95.0, r2 =  96.0, r3 = 156.0, r4 = 157.0,
	&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) -172.0 -112.0
 &rst     iat =   326,   328,   330,   342,
	  r1 = -173.0, r2 = -172.0, r3 = -112.0, r4 = -111.0,
	&end

# 21 VAL PSI:  (21 VAL N)-(21 VAL CA)-(21 VAL C)-(22 THR N) 126.0 186.0
 &rst     iat =   328,   330,   342,   344,
	  r1 = 125.0, r2 = 126.0, r3 = 186.0, r4 = 187.0,
	&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

# 25 GLN PHI:  (24 GLU C)-(25 GLN N)-(25 GLN CA)-(25 GLN C) -112.0 -52.0
 &rst     iat =   395,   397,   399,   412,
	  r1 = -113.0, r2 = -112.0, r3 = -52.0, r4 = -51.0,
	&end

# 25 GLN PSI:  (25 GLN N)-(25 GLN CA)-(25 GLN C)-(26 LEU N) -62.0  -2.0
 &rst     iat =   397,   399,   412,   414,
	  r1 = -63.0, r2 = -62.0, r3 =  -2.0, r4 =  -1.0,
	&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) -137.0 -77.0
 &rst     iat =   508,   510,   512,   522,
	  r1 = -138.0, r2 = -137.0, r3 = -77.0, r4 = -76.0,
	&end

# 32 THR PSI:  (32 THR N)-(32 THR CA)-(32 THR C)-(33 LEU N) 101.0 161.0
 &rst     iat =   510,   512,   522,   524,
	  r1 = 100.0, r2 = 101.0, r3 = 161.0, r4 = 162.0,
	&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) -155.0 -95.0
 &rst     iat =   560,   562,   564,   577,
	  r1 = -156.0, r2 = -155.0, r3 = -95.0, r4 = -94.0,
	&end

# 35 HIS PSI:  (35 HIS N)-(35 HIS CA)-(35 HIS C)-(36 PHE N) 113.0 173.0
 &rst     iat =   562,   564,   577,   579,
	  r1 = 112.0, r2 = 113.0, r3 = 173.0, r4 = 174.0,
	&end

# 36 PHE PHI:  (35 HIS C)-(36 PHE N)-(36 PHE CA)-(36 PHE C) -146.0 -86.0
 &rst     iat =   577,   579,   581,   597,
	  r1 = -147.0, r2 = -146.0, r3 = -86.0, r4 = -85.0,
	&end

# 36 PHE PSI:  (36 PHE N)-(36 PHE CA)-(36 PHE C)-(37 TRP N) 104.0 164.0
 &rst     iat =   579,   581,   597,   599,
	  r1 = 103.0, r2 = 104.0, r3 = 164.0, r4 = 165.0,
	&end

# 37 TRP PHI:  (36 PHE C)-(37 TRP N)-(37 TRP CA)-(37 TRP C) -153.0 -93.0
 &rst     iat =   597,   599,   601,   621,
	  r1 = -154.0, r2 = -153.0, r3 = -93.0, r4 = -92.0,
	&end

# 37 TRP PSI:  (37 TRP N)-(37 TRP CA)-(37 TRP C)-(38 SER N) 116.0 176.0
 &rst     iat =   599,   601,   621,   623,
	  r1 = 115.0, r2 = 116.0, r3 = 176.0, r4 = 177.0,
	&end

# 38 SER PHI:  (37 TRP C)-(38 SER N)-(38 SER CA)-(38 SER C) -127.0 -67.0
 &rst     iat =   621,   623,   625,   632,
	  r1 = -128.0, r2 = -127.0, r3 = -67.0, r4 = -66.0,
	&end

# 38 SER PSI:  (38 SER N)-(38 SER CA)-(38 SER C)-(39 ILE N) 125.0 185.0
 &rst     iat =   623,   625,   632,   634,
	  r1 = 124.0, r2 = 125.0, r3 = 185.0, r4 = 186.0,
	&end

# 39 ILE PHI:  (38 SER C)-(39 ILE N)-(39 ILE CA)-(39 ILE C) -97.0 -37.0
 &rst     iat =   632,   634,   636,   651,
	  r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
	&end

# 39 ILE PSI:  (39 ILE N)-(39 ILE CA)-(39 ILE C)-(40 SER N) -60.0   0.0
 &rst     iat =   634,   636,   651,   653,
	  r1 = -61.0, r2 = -60.0, r3 =   0.0, r4 =   1.0,
	&end

# 40 SER PHI:  (39 ILE C)-(40 SER N)-(40 SER CA)-(40 SER C) -126.0 -66.0
 &rst     iat =   651,   653,   655,   662,
	  r1 = -127.0, r2 = -126.0, r3 = -66.0, r4 = -65.0,
	&end

# 40 SER PSI:  (40 SER N)-(40 SER CA)-(40 SER C)-(41 CYS N) -23.0  37.0
 &rst     iat =   653,   655,   662,   664,
	  r1 = -24.0, r2 = -23.0, r3 =  37.0, r4 =  38.0,
	&end

# 42 HIS PHI:  (41 CYS C)-(42 HIS N)-(42 HIS CA)-(42 HIS C) -96.0 -36.0
 &rst     iat =   673,   675,   677,   690,
	  r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
	&end

# 42 HIS PSI:  (42 HIS N)-(42 HIS CA)-(42 HIS C)-(43 LEU N) -69.0  -9.0
 &rst     iat =   675,   677,   690,   692,
	  r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
	&end

# 43 LEU PHI:  (42 HIS C)-(43 LEU N)-(43 LEU CA)-(43 LEU C) -97.0 -37.0
 &rst     iat =   690,   692,   694,   709,
	  r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
	&end

# 43 LEU PSI:  (43 LEU N)-(43 LEU CA)-(43 LEU C)-(44 CYS N) -69.0  -9.0
 &rst     iat =   692,   694,   709,   711,
	  r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
	&end

# 44 CYS PHI:  (43 LEU C)-(44 CYS N)-(44 CYS CA)-(44 CYS C) -97.0 -37.0
 &rst     iat =   709,   711,   713,   720,
	  r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
	&end

# 44 CYS PSI:  (44 CYS N)-(44 CYS CA)-(44 CYS C)-(45 LYS N) -70.0 -10.0
 &rst     iat =   711,   713,   720,   722,
	  r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
	&end

# 45 LYS PHI:  (44 CYS C)-(45 LYS N)-(45 LYS CA)-(45 LYS C) -100.0 -40.0
 &rst     iat =   720,   722,   724,   742,
	  r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
	&end

# 45 LYS PSI:  (45 LYS N)-(45 LYS CA)-(45 LYS C)-(46 GLU N) -69.0  -9.0
 &rst     iat =   722,   724,   742,   744,
	  r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
	&end

# 46 GLU PHI:  (45 LYS C)-(46 GLU N)-(46 GLU CA)-(46 GLU C) -99.0 -39.0
 &rst     iat =   742,   744,   746,   757,
	  r1 = -100.0, r2 = -99.0, r3 = -39.0, r4 = -38.0,
	&end

# 46 GLU PSI:  (46 GLU N)-(46 GLU CA)-(46 GLU C)-(47 ALA N) -57.0   3.0
 &rst     iat =   744,   746,   757,   759,
	  r1 = -58.0, r2 = -57.0, r3 =   3.0, r4 =   4.0,
	&end

# 47 ALA PHI:  (46 GLU C)-(47 ALA N)-(47 ALA CA)-(47 ALA C) -127.0 -67.0
 &rst     iat =   757,   759,   761,   767,
	  r1 = -128.0, r2 = -127.0, r3 = -67.0, r4 = -66.0,
	&end

# 47 ALA PSI:  (47 ALA N)-(47 ALA CA)-(47 ALA C)-(48 MET N) -34.0  26.0
 &rst     iat =   759,   761,   767,   769,
	  r1 = -35.0, r2 = -34.0, r3 =  26.0, r4 =  27.0,
	&end

# 50 GLN PHI:  (49 PRO C)-(50 GLN N)-(50 GLN CA)-(50 GLN C) -97.0 -37.0
 &rst     iat =   798,   800,   802,   815,
	  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) -70.0 -10.0
 &rst     iat =   800,   802,   815,   817,
	  r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
	&end

# 51 VAL PHI:  (50 GLN C)-(51 VAL N)-(51 VAL CA)-(51 VAL C) -98.0 -38.0
 &rst     iat =   815,   817,   819,   831,
	  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) -69.0  -9.0
 &rst     iat =   817,   819,   831,   833,
	  r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
	&end

# 52 ASN PHI:  (51 VAL C)-(52 ASN N)-(52 ASN CA)-(52 ASN C) -95.0 -35.0
 &rst     iat =   831,   833,   835,   845,
	  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) -68.0  -8.0
 &rst     iat =   833,   835,   845,   847,
	  r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
	&end

# 53 GLU PHI:  (52 ASN C)-(53 GLU N)-(53 GLU CA)-(53 GLU C) -94.0 -34.0
 &rst     iat =   845,   847,   849,   860,
	  r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
	&end

# 53 GLU PSI:  (53 GLU N)-(53 GLU CA)-(53 GLU C)-(54 PHE N) -70.0 -10.0
 &rst     iat =   847,   849,   860,   862,
	  r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
	&end

# 54 PHE PHI:  (53 GLU C)-(54 PHE N)-(54 PHE CA)-(54 PHE C) -94.0 -34.0
 &rst     iat =   860,   862,   864,   880,
	  r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
	&end

# 54 PHE PSI:  (54 PHE N)-(54 PHE CA)-(54 PHE C)-(55 ARG N) -68.0  -8.0
 &rst     iat =   862,   864,   880,   882,
	  r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
	&end

# 55 ARG PHI:  (54 PHE C)-(55 ARG N)-(55 ARG CA)-(55 ARG C) -95.0 -35.0
 &rst     iat =   880,   882,   884,   904,
	  r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
	&end

# 55 ARG PSI:  (55 ARG N)-(55 ARG CA)-(55 ARG C)-(56 ASP N) -70.0 -10.0
 &rst     iat =   882,   884,   904,   906,
	  r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
	&end

# 56 ASP PHI:  (55 ARG C)-(56 ASP N)-(56 ASP CA)-(56 ASP C) -92.0 -32.0
 &rst     iat =   904,   906,   908,   916,
	  r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
	&end

# 56 ASP PSI:  (56 ASP N)-(56 ASP CA)-(56 ASP C)-(57 LYS N) -69.0  -9.0
 &rst     iat =   906,   908,   916,   918,
	  r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
	&end

# 57 LYS PHI:  (56 ASP C)-(57 LYS N)-(57 LYS CA)-(57 LYS C) -100.0 -40.0
 &rst     iat =   916,   918,   920,   938,
	  r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
	&end

# 57 LYS PSI:  (57 LYS N)-(57 LYS CA)-(57 LYS C)-(58 TYR N) -61.0  -1.0
 &rst     iat =   918,   920,   938,   940,
	  r1 = -62.0, r2 = -61.0, r3 =  -1.0, r4 =   0.0,
	&end

# 58 TYR PHI:  (57 LYS C)-(58 TYR N)-(58 TYR CA)-(58 TYR C) -127.0 -67.0
 &rst     iat =   938,   940,   942,   959,
	  r1 = -128.0, r2 = -127.0, r3 = -67.0, r4 = -66.0,
	&end

# 58 TYR PSI:  (58 TYR N)-(58 TYR CA)-(58 TYR C)-(59 GLN N) -23.0  37.0
 &rst     iat =   940,   942,   959,   961,
	  r1 = -24.0, r2 = -23.0, r3 =  37.0, r4 =  38.0,
	&end

# 62 LEU PHI:  (61 GLN C)-(62 LEU N)-(62 LEU CA)-(62 LEU C) -163.0 -103.0
 &rst     iat =  1005,  1007,  1009,  1024,
	  r1 = -164.0, r2 = -163.0, r3 = -103.0, r4 = -102.0,
	&end

# 62 LEU PSI:  (62 LEU N)-(62 LEU CA)-(62 LEU C)-(63 ASN N) 103.0 163.0
 &rst     iat =  1007,  1009,  1024,  1026,
	  r1 = 102.0, r2 = 103.0, r3 = 163.0, r4 = 164.0,
	&end

# 63 ASN PHI:  (62 LEU C)-(63 ASN N)-(63 ASN CA)-(63 ASN C) -134.0 -74.0
 &rst     iat =  1024,  1026,  1028,  1038,
	  r1 = -135.0, r2 = -134.0, r3 = -74.0, r4 = -73.0,
	&end

# 63 ASN PSI:  (63 ASN N)-(63 ASN CA)-(63 ASN C)-(64 VAL N)  96.0 156.0
 &rst     iat =  1026,  1028,  1038,  1040,
	  r1 =  95.0, r2 =  96.0, r3 = 156.0, r4 = 157.0,
	&end

# 64 VAL PHI:  (63 ASN C)-(64 VAL N)-(64 VAL CA)-(64 VAL C) -139.0 -79.0
 &rst     iat =  1038,  1040,  1042,  1054,
	  r1 = -140.0, r2 = -139.0, r3 = -79.0, r4 = -78.0,
	&end

# 64 VAL PSI:  (64 VAL N)-(64 VAL CA)-(64 VAL C)-(65 VAL N) 106.0 166.0
 &rst     iat =  1040,  1042,  1054,  1056,
	  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 =  1054,  1056,  1058,  1070,
	  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 =  1056,  1058,  1070,  1072,
	  r1 = 113.0, r2 = 114.0, r3 = 174.0, r4 = 175.0,
	&end

# 66 ALA PHI:  (65 VAL C)-(66 ALA N)-(66 ALA CA)-(66 ALA C) -144.0 -84.0
 &rst     iat =  1070,  1072,  1074,  1080,
	  r1 = -145.0, r2 = -144.0, r3 = -84.0, r4 = -83.0,
	&end

# 66 ALA PSI:  (66 ALA N)-(66 ALA CA)-(66 ALA C)-(67 VAL N)  99.0 159.0
 &rst     iat =  1072,  1074,  1080,  1082,
	  r1 =  98.0, r2 =  99.0, r3 = 159.0, r4 = 160.0,
	&end

# 67 VAL PHI:  (66 ALA C)-(67 VAL N)-(67 VAL CA)-(67 VAL C) -138.0 -78.0
 &rst     iat =  1080,  1082,  1084,  1096,
	  r1 = -139.0, r2 = -138.0, r3 = -78.0, r4 = -77.0,
	&end

# 67 VAL PSI:  (67 VAL N)-(67 VAL CA)-(67 VAL C)-(68 HIS N)  88.0 148.0
 &rst     iat =  1082,  1084,  1096,  1098,
	  r1 =  87.0, r2 =  88.0, r3 = 148.0, r4 = 149.0,
	&end

# 68 HIS PHI:  (67 VAL C)-(68 HIS N)-(68 HIS CA)-(68 HIS C) -111.0 -51.0
 &rst     iat =  1096,  1098,  1100,  1113,
	  r1 = -112.0, r2 = -111.0, r3 = -51.0, r4 = -50.0,
	&end

# 68 HIS PSI:  (68 HIS N)-(68 HIS CA)-(68 HIS C)-(69 MET N) 101.0 161.0
 &rst     iat =  1098,  1100,  1113,  1115,
	  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) -143.0 -83.0
 &rst     iat =  1113,  1115,  1117,  1130,
	  r1 = -144.0, r2 = -143.0, r3 = -83.0, r4 = -82.0,
	&end

# 69 MET PSI:  (69 MET N)-(69 MET CA)-(69 MET C)-(70 PRO N) 105.0 165.0
 &rst     iat =  1115,  1117,  1130,  1132,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end

# 72 SER PHI:  (71 ARG C)-(72 SER N)-(72 SER CA)-(72 SER C) -144.0 -84.0
 &rst     iat =  1168,  1170,  1172,  1179,
	  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 =  1170,  1172,  1179,  1181,
	  r1 = 125.0, r2 = 126.0, r3 = 186.0, r4 = 187.0,
	&end

# 77 ASP PHI:  (76 LEU C)-(77 ASP N)-(77 ASP CA)-(77 ASP C) -120.0 -60.0
 &rst     iat =  1237,  1239,  1241,  1249,
	  r1 = -121.0, r2 = -120.0, r3 = -60.0, r4 = -59.0,
	&end

# 77 ASP PSI:  (77 ASP N)-(77 ASP CA)-(77 ASP C)-(78 PRO N) 109.0 169.0
 &rst     iat =  1239,  1241,  1249,  1251,
	  r1 = 108.0, r2 = 109.0, r3 = 169.0, r4 = 170.0,
	&end

# 79 GLY PHI:  (78 PRO C)-(79 GLY N)-(79 GLY CA)-(79 GLY C) -94.0 -34.0
 &rst     iat =  1263,  1265,  1267,  1270,
	  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 =  1265,  1267,  1270,  1272,
	  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 =  1270,  1272,  1274,  1292,
	  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 =  1272,  1274,  1292,  1294,
	  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) -97.0 -37.0
 &rst     iat =  1292,  1294,  1296,  1311,
	  r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
	&end

# 81 ILE PSI:  (81 ILE N)-(81 ILE CA)-(81 ILE C)-(82 LYS N) -71.0 -11.0
 &rst     iat =  1294,  1296,  1311,  1313,
	  r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
	&end

# 82 LYS PHI:  (81 ILE C)-(82 LYS N)-(82 LYS CA)-(82 LYS C) -94.0 -34.0
 &rst     iat =  1311,  1313,  1315,  1333,
	  r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
	&end

# 82 LYS PSI:  (82 LYS N)-(82 LYS CA)-(82 LYS C)-(83 GLU N) -66.0  -6.0
 &rst     iat =  1313,  1315,  1333,  1335,
	  r1 = -67.0, r2 = -66.0, r3 =  -6.0, r4 =  -5.0,
	&end

# 83 GLU PHI:  (82 LYS C)-(83 GLU N)-(83 GLU CA)-(83 GLU C) -93.0 -33.0
 &rst     iat =  1333,  1335,  1337,  1348,
	  r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
	&end

# 83 GLU PSI:  (83 GLU N)-(83 GLU CA)-(83 GLU C)-(84 THR N) -71.0 -11.0
 &rst     iat =  1335,  1337,  1348,  1350,
	  r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
	&end

# 84 THR PHI:  (83 GLU C)-(84 THR N)-(84 THR CA)-(84 THR C) -101.0 -41.0
 &rst     iat =  1348,  1350,  1352,  1362,
	  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) -69.0  -9.0
 &rst     iat =  1350,  1352,  1362,  1364,
	  r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
	&end

# 85 ALA PHI:  (84 THR C)-(85 ALA N)-(85 ALA CA)-(85 ALA C) -94.0 -34.0
 &rst     iat =  1362,  1364,  1366,  1372,
	  r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
	&end

# 85 ALA PSI:  (85 ALA N)-(85 ALA CA)-(85 ALA C)-(86 ALA N) -73.0 -13.0
 &rst     iat =  1364,  1366,  1372,  1374,
	  r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
	&end

# 86 ALA PHI:  (85 ALA C)-(86 ALA N)-(86 ALA CA)-(86 ALA C) -92.0 -32.0
 &rst     iat =  1372,  1374,  1376,  1382,
	  r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
	&end

# 86 ALA PSI:  (86 ALA N)-(86 ALA CA)-(86 ALA C)-(87 GLU N) -70.0 -10.0
 &rst     iat =  1374,  1376,  1382,  1384,
	  r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
	&end

# 87 GLU PHI:  (86 ALA C)-(87 GLU N)-(87 GLU CA)-(87 GLU C) -100.0 -40.0
 &rst     iat =  1382,  1384,  1386,  1397,
	  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) -53.0   7.0
 &rst     iat =  1384,  1386,  1397,  1399,
	  r1 = -54.0, r2 = -53.0, r3 =   7.0, r4 =   8.0,
	&end

# 88 HIS PHI:  (87 GLU C)-(88 HIS N)-(88 HIS CA)-(88 HIS C) -130.0 -70.0
 &rst     iat =  1397,  1399,  1401,  1414,
	  r1 = -131.0, r2 = -130.0, r3 = -70.0, r4 = -69.0,
	&end

# 88 HIS PSI:  (88 HIS N)-(88 HIS CA)-(88 HIS C)-(89 ASP N) -24.0  36.0
 &rst     iat =  1399,  1401,  1414,  1416,
	  r1 = -25.0, r2 = -24.0, r3 =  36.0, r4 =  37.0,
	&end

# 94 ILE PHI:  (93 PRO C)-(94 ILE N)-(94 ILE CA)-(94 ILE C) -152.0 -92.0
 &rst     iat =  1490,  1492,  1494,  1509,
	  r1 = -153.0, r2 = -152.0, r3 = -92.0, r4 = -91.0,
	&end

# 94 ILE PSI:  (94 ILE N)-(94 ILE CA)-(94 ILE C)-(95 PHE N) 104.0 164.0
 &rst     iat =  1492,  1494,  1509,  1511,
	  r1 = 103.0, r2 = 104.0, r3 = 164.0, r4 = 165.0,
	&end

# 95 PHE PHI:  (94 ILE C)-(95 PHE N)-(95 PHE CA)-(95 PHE C) -106.0 -46.0
 &rst     iat =  1509,  1511,  1513,  1529,
	  r1 = -107.0, r2 = -106.0, r3 = -46.0, r4 = -45.0,
	&end

# 95 PHE PSI:  (95 PHE N)-(95 PHE CA)-(95 PHE C)-(96 VAL N) 102.0 162.0
 &rst     iat =  1511,  1513,  1529,  1531,
	  r1 = 101.0, r2 = 102.0, r3 = 162.0, r4 = 163.0,
	&end

# 101 ALA PHI:  (100 HIS C)-(101 ALA N)-(101 ALA CA)-(101 ALA C) -95.0 -35.0
 &rst     iat =  1597,  1599,  1601,  1607,
	  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 =  1599,  1601,  1607,  1609,
	  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 =  1607,  1609,  1611,  1626,
	  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 =  1609,  1611,  1626,  1628,
	  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 =  1626,  1628,  1630,  1640,
	  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 =  1628,  1630,  1640,  1642,
	  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) -95.0 -35.0
 &rst     iat =  1640,  1642,  1644,  1652,
	  r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
	&end

# 104 ASP PSI:  (104 ASP N)-(104 ASP CA)-(104 ASP C)-(105 ALA N) -66.0  -6.0
 &rst     iat =  1642,  1644,  1652,  1654,
	  r1 = -67.0, r2 = -66.0, r3 =  -6.0, r4 =  -5.0,
	&end

# 105 ALA PHI:  (104 ASP C)-(105 ALA N)-(105 ALA CA)-(105 ALA C) -99.0 -39.0
 &rst     iat =  1652,  1654,  1656,  1662,
	  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 =  1654,  1656,  1662,  1664,
	  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 =  1662,  1664,  1666,  1682,
	  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 =  1664,  1666,  1682,  1684,
	  r1 = -40.0, r2 = -39.0, r3 =  21.0, r4 =  22.0,
	&end

# 111 VAL PHI:  (110 TYR C)-(111 VAL N)-(111 VAL CA)-(111 VAL C) -159.0 -99.0
 &rst     iat =  1747,  1749,  1751,  1763,
	  r1 = -160.0, r2 = -159.0, r3 = -99.0, r4 = -98.0,
	&end

# 111 VAL PSI:  (111 VAL N)-(111 VAL CA)-(111 VAL C)-(112 PRO N) 108.0 168.0
 &rst     iat =  1749,  1751,  1763,  1765,
	  r1 = 107.0, r2 = 108.0, r3 = 168.0, r4 = 169.0,
	&end

# 113 ALA PHI:  (112 PRO C)-(113 ALA N)-(113 ALA CA)-(113 ALA C) -171.0 -111.0
 &rst     iat =  1777,  1779,  1781,  1787,
	  r1 = -172.0, r2 = -171.0, r3 = -111.0, r4 = -110.0,
	&end

# 113 ALA PSI:  (113 ALA N)-(113 ALA CA)-(113 ALA C)-(114 TYR N) 112.0 172.0
 &rst     iat =  1779,  1781,  1787,  1789,
	  r1 = 111.0, r2 = 112.0, r3 = 172.0, r4 = 173.0,
	&end

# 114 TYR PHI:  (113 ALA C)-(114 TYR N)-(114 TYR CA)-(114 TYR C) -158.0 -98.0
 &rst     iat =  1787,  1789,  1791,  1808,
	  r1 = -159.0, r2 = -158.0, r3 = -98.0, r4 = -97.0,
	&end

# 114 TYR PSI:  (114 TYR N)-(114 TYR CA)-(114 TYR C)-(115 TYR N)  99.0 159.0
 &rst     iat =  1789,  1791,  1808,  1810,
	  r1 =  98.0, r2 =  99.0, r3 = 159.0, r4 = 160.0,
	&end

# 115 TYR PHI:  (114 TYR C)-(115 TYR N)-(115 TYR CA)-(115 TYR C) -147.0 -87.0
 &rst     iat =  1808,  1810,  1812,  1829,
	  r1 = -148.0, r2 = -147.0, r3 = -87.0, r4 = -86.0,
	&end

# 115 TYR PSI:  (115 TYR N)-(115 TYR CA)-(115 TYR C)-(116 VAL N) 106.0 166.0
 &rst     iat =  1810,  1812,  1829,  1831,
	  r1 = 105.0, r2 = 106.0, r3 = 166.0, r4 = 167.0,
	&end

# 116 VAL PHI:  (115 TYR C)-(116 VAL N)-(116 VAL CA)-(116 VAL C) -142.0 -82.0
 &rst     iat =  1829,  1831,  1833,  1845,
	  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)  93.0 153.0
 &rst     iat =  1831,  1833,  1845,  1847,
	  r1 =  92.0, r2 =  93.0, r3 = 153.0, r4 = 154.0,
	&end

# 117 PHE PHI:  (116 VAL C)-(117 PHE N)-(117 PHE CA)-(117 PHE C) -140.0 -80.0
 &rst     iat =  1845,  1847,  1849,  1865,
	  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 =  1847,  1849,  1865,  1867,
	  r1 = 106.0, r2 = 107.0, r3 = 167.0, r4 = 168.0,
	&end

# 119 LYS PHI:  (118 ASP C)-(119 LYS N)-(119 LYS CA)-(119 LYS C) -101.0 -41.0
 &rst     iat =  1877,  1879,  1881,  1899,
	  r1 = -102.0, r2 = -101.0, r3 = -41.0, r4 = -40.0,
	&end

# 119 LYS PSI:  (119 LYS N)-(119 LYS CA)-(119 LYS C)-(120 THR N) -43.0  17.0
 &rst     iat =  1879,  1881,  1899,  1901,
	  r1 = -44.0, r2 = -43.0, r3 =  17.0, r4 =  18.0,
	&end

# 120 THR PHI:  (119 LYS C)-(120 THR N)-(120 THR CA)-(120 THR C) -133.0 -73.0
 &rst     iat =  1899,  1901,  1903,  1913,
	  r1 = -134.0, r2 = -133.0, r3 = -73.0, r4 = -72.0,
	&end

# 120 THR PSI:  (120 THR N)-(120 THR CA)-(120 THR C)-(121 GLY N) -18.0  42.0
 &rst     iat =  1901,  1903,  1913,  1915,
	  r1 = -19.0, r2 = -18.0, r3 =  42.0, r4 =  43.0,
	&end

# 122 GLN PHI:  (121 GLY C)-(122 GLN N)-(122 GLN CA)-(122 GLN C) -136.0 -76.0
 &rst     iat =  1920,  1922,  1924,  1937,
	  r1 = -137.0, r2 = -136.0, r3 = -76.0, r4 = -75.0,
	&end

# 122 GLN PSI:  (122 GLN N)-(122 GLN CA)-(122 GLN C)-(123 LEU N) 109.0 169.0
 &rst     iat =  1922,  1924,  1937,  1939,
	  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) -96.0 -36.0
 &rst     iat =  1937,  1939,  1941,  1956,
	  r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
	&end

# 123 LEU PSI:  (123 LEU N)-(123 LEU CA)-(123 LEU C)-(124 ARG N) 106.0 166.0
 &rst     iat =  1939,  1941,  1956,  1958,
	  r1 = 105.0, r2 = 106.0, r3 = 166.0, r4 = 167.0,
	&end

# 125 HIS PHI:  (124 ARG C)-(125 HIS N)-(125 HIS CA)-(125 HIS C) -173.0 -113.0
 &rst     iat =  1980,  1982,  1984,  1997,
	  r1 = -174.0, r2 = -173.0, r3 = -113.0, r4 = -112.0,
	&end

# 125 HIS PSI:  (125 HIS N)-(125 HIS CA)-(125 HIS C)-(126 PHE N) 111.0 171.0
 &rst     iat =  1982,  1984,  1997,  1999,
	  r1 = 110.0, r2 = 111.0, r3 = 171.0, r4 = 172.0,
	&end

# 126 PHE PHI:  (125 HIS C)-(126 PHE N)-(126 PHE CA)-(126 PHE C) -153.0 -93.0
 &rst     iat =  1997,  1999,  2001,  2017,
	  r1 = -154.0, r2 = -153.0, r3 = -93.0, r4 = -92.0,
	&end

# 126 PHE PSI:  (126 PHE N)-(126 PHE CA)-(126 PHE C)-(127 GLN N) 109.0 169.0
 &rst     iat =  1999,  2001,  2017,  2019,
	  r1 = 108.0, r2 = 109.0, r3 = 169.0, r4 = 170.0,
	&end

# 127 GLN PHI:  (126 PHE C)-(127 GLN N)-(127 GLN CA)-(127 GLN C) -169.0 -109.0
 &rst     iat =  2017,  2019,  2021,  2034,
	  r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
	&end

# 127 GLN PSI:  (127 GLN N)-(127 GLN CA)-(127 GLN C)-(128 ALA N) 125.0 185.0
 &rst     iat =  2019,  2021,  2034,  2036,
	  r1 = 124.0, r2 = 125.0, r3 = 185.0, r4 = 186.0,
	&end

# 128 ALA PHI:  (127 GLN C)-(128 ALA N)-(128 ALA CA)-(128 ALA C) -148.0 -88.0
 &rst     iat =  2034,  2036,  2038,  2044,
	  r1 = -149.0, r2 = -148.0, r3 = -88.0, r4 = -87.0,
	&end

# 128 ALA PSI:  (128 ALA N)-(128 ALA CA)-(128 ALA C)-(129 GLY N) 110.0 170.0
 &rst     iat =  2036,  2038,  2044,  2046,
	  r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
	&end

# 134 LYS PHI:  (133 MET C)-(134 LYS N)-(134 LYS CA)-(134 LYS C) -93.0 -33.0
 &rst     iat =  2093,  2095,  2097,  2115,
	  r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
	&end

# 134 LYS PSI:  (134 LYS N)-(134 LYS CA)-(134 LYS C)-(135 MET N) -68.0  -8.0
 &rst     iat =  2095,  2097,  2115,  2117,
	  r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
	&end

# 135 MET PHI:  (134 LYS C)-(135 MET N)-(135 MET CA)-(135 MET C) -96.0 -36.0
 &rst     iat =  2115,  2117,  2119,  2132,
	  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 =  2117,  2119,  2132,  2134,
	  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) -99.3 -39.3
 &rst     iat =  2132,  2134,  2136,  2151,
	  r1 = -100.3, r2 = -99.3, r3 = -39.3, r4 = -38.3,
	&end

# 136 LEU PSI:  (136 LEU N)-(136 LEU CA)-(136 LEU C)-(137 GLU N) -66.9  -6.9
 &rst     iat =  2134,  2136,  2151,  2153,
	  r1 = -67.9, r2 = -66.9, r3 =  -6.9, r4 =  -5.9,
	&end

# 137 GLU PHI:  (136 LEU C)-(137 GLU N)-(137 GLU CA)-(137 GLU C) -96.3 -36.3
 &rst     iat =  2151,  2153,  2155,  2166,
	  r1 = -97.3, r2 = -96.3, r3 = -36.3, r4 = -35.3,
	&end

# 137 GLU PSI:  (137 GLU N)-(137 GLU CA)-(137 GLU C)-(138 LYS N) -72.3 -12.3
 &rst     iat =  2153,  2155,  2166,  2168,
	  r1 = -73.3, r2 = -72.3, r3 = -12.3, r4 = -11.3,
	&end

# 138 LYS PHI:  (137 GLU C)-(138 LYS N)-(138 LYS CA)-(138 LYS C) -94.8 -34.8
 &rst     iat =  2166,  2168,  2170,  2188,
	  r1 = -95.8, r2 = -94.8, r3 = -34.8, r4 = -33.8,
	&end

# 138 LYS PSI:  (138 LYS N)-(138 LYS CA)-(138 LYS C)-(139 ARG N) -68.5  -8.5
 &rst     iat =  2168,  2170,  2188,  2190,
	  r1 = -69.5, r2 = -68.5, r3 =  -8.5, r4 =  -7.5,
	&end

# 139 ARG PHI:  (138 LYS C)-(139 ARG N)-(139 ARG CA)-(139 ARG C) -96.9 -36.9
 &rst     iat =  2188,  2190,  2192,  2212,
	  r1 = -97.9, r2 = -96.9, r3 = -36.9, r4 = -35.9,
	&end

# 139 ARG PSI:  (139 ARG N)-(139 ARG CA)-(139 ARG C)-(140 VAL N) -68.4  -8.4
 &rst     iat =  2190,  2192,  2212,  2214,
	  r1 = -69.4, r2 = -68.4, r3 =  -8.4, r4 =  -7.4,
	&end

# 140 VAL PHI:  (139 ARG C)-(140 VAL N)-(140 VAL CA)-(140 VAL C) -98.3 -38.3
 &rst     iat =  2212,  2214,  2216,  2228,
	  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 =  2214,  2216,  2228,  2230,
	  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) -91.1 -31.1
 &rst     iat =  2228,  2230,  2232,  2242,
	  r1 = -92.1, r2 = -91.1, r3 = -31.1, r4 = -30.1,
	&end

# 141 ASN PSI:  (141 ASN N)-(141 ASN CA)-(141 ASN C)-(142 ARG N) -70.7 -10.7
 &rst     iat =  2230,  2232,  2242,  2244,
	  r1 = -71.7, r2 = -70.7, r3 = -10.7, r4 =  -9.7,
	&end

# 142 ARG PHI:  (141 ASN C)-(142 ARG N)-(142 ARG CA)-(142 ARG C) -98.5 -38.5
 &rst     iat =  2242,  2244,  2246,  2266,
	  r1 = -99.5, r2 = -98.5, r3 = -38.5, r4 = -37.5,
	&end

# 142 ARG PSI:  (142 ARG N)-(142 ARG CA)-(142 ARG C)-(143 VAL N) -69.6  -9.6
 &rst     iat =  2244,  2246,  2266,  2268,
	  r1 = -70.6, r2 = -69.6, r3 =  -9.6, r4 =  -8.6,
	&end

# 143 VAL PHI:  (142 ARG C)-(143 VAL N)-(143 VAL CA)-(143 VAL C) -96.9 -36.9
 &rst     iat =  2266,  2268,  2270,  2282,
	  r1 = -97.9, r2 = -96.9, r3 = -36.9, r4 = -35.9,
	&end

# 143 VAL PSI:  (143 VAL N)-(143 VAL CA)-(143 VAL C)-(144 LEU N) -69.3  -9.3
 &rst     iat =  2268,  2270,  2282,  2284,
	  r1 = -70.3, r2 = -69.3, r3 =  -9.3, r4 =  -8.3,
	&end

# 144 LEU PHI:  (143 VAL C)-(144 LEU N)-(144 LEU CA)-(144 LEU C) -99.0 -39.0
 &rst     iat =  2282,  2284,  2286,  2301,
	  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 =  2284,  2286,  2301,  2303,
	  r1 = -56.0, r2 = -55.0, r3 =   5.0, r4 =   6.0,
	&end

# 145 ALA PHI:  (144 LEU C)-(145 ALA N)-(145 ALA CA)-(145 ALA C) -119.0 -59.0
 &rst     iat =  2301,  2303,  2305,  2311,
	  r1 = -120.0, r2 = -119.0, r3 = -59.0, r4 = -58.0,
	&end

# 145 ALA PSI:  (145 ALA N)-(145 ALA CA)-(145 ALA C)-(146 GLU N) -42.0  18.0
 &rst     iat =  2303,  2305,  2311,  2313,
	  r1 = -43.0, r2 = -42.0, r3 =  18.0, r4 =  19.0,
	&end

# 147 THR PHI:  (146 GLU C)-(147 THR N)-(147 THR CA)-(147 THR C) -111.0 -51.0
 &rst     iat =  2326,  2328,  2330,  2340,
	  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 =  2328,  2330,  2340,  2342,
	  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=1866, 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=1866, 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=1039, 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=1039, 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=1830, 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=1830, 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=1071, 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=1071, 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=1788, 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=1788, 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=1097, 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=1097, 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= 509,1027, 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= 509,1026, 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= 542,1057, 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= 542,1056, 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=1491,1073, 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=1491,1072, 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= 578,1083, 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= 578,1082, 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=1530,1099, 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=1530,1098, 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= 622,1116, 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= 622,1115, 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= 291,1493, 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= 291,1492, 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=1081,1512, 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=1081,1511, 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= 248,1532, 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= 248,1531, 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=1598,1629, 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=1598,1628, 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=1608,1643, 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=1608,1642, 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=1627,1655, 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=1627,1654, 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= 598,1780, 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= 598,1779, 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=2035,1790, 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=2035,1789, 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= 561,1811, 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= 561,1810, 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=1998,1832, 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=1998,1831, 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= 523,1848, 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= 523,1847, 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=1938,1868, 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=1938,1867, 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=1878,1916, 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=1878,1915, 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=1846,1983, 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=1846,1982, 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=1809,2020, 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=1809,2019, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  42 HIS O 46 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 745, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  42 HIS O 46 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 744, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80,  &end
#
#  43 LEU O 47 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 760, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  43 LEU O 47 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 759, 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= 721, 770, 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= 721, 769, 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= 758, 801, 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= 758, 800, 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= 768, 818, 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= 768, 817, 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= 785, 834, 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= 785, 833, 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= 799, 848, 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= 799, 847, 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= 816, 863, 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= 816, 862, 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= 832, 883, 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= 832, 882, 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= 846, 907, 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= 846, 906, 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= 861, 919, 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= 861, 918, 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= 881, 941, 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= 881, 940, 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=1250,1295, 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=1250,1294, 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=1264,1314, 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=1264,1313, 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=1271,1336, 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=1271,1335, 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=1293,1351, 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=1293,1350, 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=1312,1365, 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=1312,1364, 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=2152,2215, 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=2152,2214, 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=2167,2231, 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=2167,2230, 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=2189,2245, 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=2189,2244, 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=2213,2269, 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=2213,2268, 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=2229,2285, 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=2229,2284, 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=1778,2047, 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=1778,2046, 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=664,673,667,668, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=677,682,680,681, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=675,690,678,679, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=694,699,697,698, &end
#
#  chirality for residue 43 atoms:  CB CD1 CD2 HG
 &rst iat=696,701,705,700, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=692,709,695,696, &end
#
#  chirality for residue 44 atoms:  CA SG HB2 HB3
 &rst iat=713,718,716,717, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=711,720,714,715, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=724,729,727,728, &end
#
#  chirality for residue 45 atoms:  CB CD HG2 HG3
 &rst iat=726,732,730,731, &end
#
#  chirality for residue 45 atoms:  CD NZ HE2 HE3
 &rst iat=732,738,736,737, &end
#
#  chirality for residue 45 atoms:  CG CE HD2 HD3
 &rst iat=729,735,733,734, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=722,742,725,726, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=746,751,749,750, &end
#
#  chirality for residue 46 atoms:  CB CD HG2 HG3
 &rst iat=748,754,752,753, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=744,757,747,748, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=759,767,762,763, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=771,776,774,775, &end
#
#  chirality for residue 48 atoms:  CB SD HG2 HG3
 &rst iat=773,779,777,778, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=769,784,772,773, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=796,790,794,795, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=793,787,791,792, &end
#
#  chirality for residue 49 atoms:  CG N HD2 HD3
 &rst iat=790,786,788,789, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=786,798,797,793, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=802,807,805,806, &end
#
#  chirality for residue 50 atoms:  CB CD HG2 HG3
 &rst iat=804,810,808,809, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=800,815,803,804, &end
#
#  chirality for residue 51 atoms:  CA CG1 CG2 HB
 &rst iat=819,823,827,822, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=817,831,820,821, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=835,840,838,839, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=833,845,836,837, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=849,854,852,853, &end
#
#  chirality for residue 53 atoms:  CB CD HG2 HG3
 &rst iat=851,857,855,856, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=847,860,850,851, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=864,869,867,868, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=862,880,865,866, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=884,889,887,888, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=886,892,890,891, &end
#
#  chirality for residue 55 atoms:  CG NE HD2 HD3
 &rst iat=889,895,893,894, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=882,904,885,886, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=908,913,911,912, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=906,916,909,910, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=920,925,923,924, &end
#
#  chirality for residue 57 atoms:  CB CD HG2 HG3
 &rst iat=922,928,926,927, &end
#
#  chirality for residue 57 atoms:  CD NZ HE2 HE3
 &rst iat=928,934,932,933, &end
#
#  chirality for residue 57 atoms:  CG CE HD2 HD3
 &rst iat=925,931,929,930, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=918,938,921,922, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=942,947,945,946, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=940,959,943,944, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=963,968,966,967, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=965,971,969,970, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=961,976,964,965, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=980,985,983,984, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=978,988,981,982, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=992,997,995,996, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=994,1000,998,999, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=990,1005,993,994, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=1009,1014,1012,1013, &end
#
#  chirality for residue 62 atoms:  CB CD1 CD2 HG
 &rst iat=1011,1016,1020,1015, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=1007,1024,1010,1011, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=1028,1033,1031,1032, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=1026,1038,1029,1030, &end
#
#  chirality for residue 64 atoms:  CA CG1 CG2 HB
 &rst iat=1042,1046,1050,1045, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=1040,1054,1043,1044, &end
#
#  chirality for residue 65 atoms:  CA CG1 CG2 HB
 &rst iat=1058,1062,1066,1061, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1056,1070,1059,1060, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1072,1080,1075,1076, &end
#
#  chirality for residue 67 atoms:  CA CG1 CG2 HB
 &rst iat=1084,1088,1092,1087, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1082,1096,1085,1086, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1100,1105,1103,1104, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1098,1113,1101,1102, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1117,1122,1120,1121, &end
#
#  chirality for residue 69 atoms:  CB SD HG2 HG3
 &rst iat=1119,1125,1123,1124, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1115,1130,1118,1119, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1142,1136,1140,1141, &end
#
#  chirality for residue 70 atoms:  CB CD HG2 HG3
 &rst iat=1139,1133,1137,1138, &end
#
#  chirality for residue 70 atoms:  CG N HD2 HD3
 &rst iat=1136,1132,1134,1135, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1132,1144,1143,1139, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1148,1153,1151,1152, &end
#
#  chirality for residue 71 atoms:  CB CD HG2 HG3
 &rst iat=1150,1156,1154,1155, &end
#
#  chirality for residue 71 atoms:  CG NE HD2 HD3
 &rst iat=1153,1159,1157,1158, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1146,1168,1149,1150, &end
#
#  chirality for residue 72 atoms:  CA OG HB2 HB3
 &rst iat=1172,1177,1175,1176, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1170,1179,1173,1174, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1183,1188,1186,1187, &end
#
#  chirality for residue 73 atoms:  CB CD HG2 HG3
 &rst iat=1185,1191,1189,1190, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1181,1194,1184,1185, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1198,1203,1201,1202, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1196,1206,1199,1200, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1210,1215,1213,1214, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1208,1218,1211,1212, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1222,1227,1225,1226, &end
#
#  chirality for residue 76 atoms:  CB CD1 CD2 HG
 &rst iat=1224,1229,1233,1228, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1220,1237,1223,1224, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1241,1246,1244,1245, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1239,1249,1242,1243, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1261,1255,1259,1260, &end
#
#  chirality for residue 78 atoms:  CB CD HG2 HG3
 &rst iat=1258,1252,1256,1257, &end
#
#  chirality for residue 78 atoms:  CG N HD2 HD3
 &rst iat=1255,1251,1253,1254, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1251,1263,1262,1258, &end
#
#  chirality for residue 79 atoms:  N C HA2 HA3
 &rst iat=1265,1270,1268,1269, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1274,1279,1277,1278, &end
#
#  chirality for residue 80 atoms:  CB CD HG2 HG3
 &rst iat=1276,1282,1280,1281, &end
#
#  chirality for residue 80 atoms:  CD NZ HE2 HE3
 &rst iat=1282,1288,1286,1287, &end
#
#  chirality for residue 80 atoms:  CG CE HD2 HD3
 &rst iat=1279,1285,1283,1284, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1272,1292,1275,1276, &end
#
#  chirality for residue 81 atoms:  CA CG2 CG1 HB
 &rst iat=1296,1300,1304,1299, &end
#
#  chirality for residue 81 atoms:  CB CD1 HG12 HG13
 &rst iat=1298,1307,1305,1306, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1294,1311,1297,1298, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1315,1320,1318,1319, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=1317,1323,1321,1322, &end
#
#  chirality for residue 82 atoms:  CD NZ HE2 HE3
 &rst iat=1323,1329,1327,1328, &end
#
#  chirality for residue 82 atoms:  CG CE HD2 HD3
 &rst iat=1320,1326,1324,1325, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1313,1333,1316,1317, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1337,1342,1340,1341, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1339,1345,1343,1344, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1335,1348,1338,1339, &end
#
#  chirality for residue 84 atoms:  CA CG2 OG1 HB
 &rst iat=1352,1356,1360,1355, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1350,1362,1353,1354, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1364,1372,1367,1368, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1374,1382,1377,1378, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1386,1391,1389,1390, &end
#
#  chirality for residue 87 atoms:  CB CD HG2 HG3
 &rst iat=1388,1394,1392,1393, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1384,1397,1387,1388, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1401,1406,1404,1405, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1399,1414,1402,1403, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1418,1423,1421,1422, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1416,1426,1419,1420, &end
#
#  chirality for residue 90 atoms:  CA CG2 CG1 HB
 &rst iat=1430,1434,1438,1433, &end
#
#  chirality for residue 90 atoms:  CB CD1 HG12 HG13
 &rst iat=1432,1441,1439,1440, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1428,1445,1431,1432, &end
#
#  chirality for residue 91 atoms:  CA CG2 OG1 HB
 &rst iat=1449,1453,1457,1452, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1447,1459,1450,1451, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1463,1468,1466,1467, &end
#
#  chirality for residue 92 atoms:  CB CD HG2 HG3
 &rst iat=1465,1471,1469,1470, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1461,1476,1464,1465, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1488,1482,1486,1487, &end
#
#  chirality for residue 93 atoms:  CB CD HG2 HG3
 &rst iat=1485,1479,1483,1484, &end
#
#  chirality for residue 93 atoms:  CG N HD2 HD3
 &rst iat=1482,1478,1480,1481, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1478,1490,1489,1485, &end
#
#  chirality for residue 94 atoms:  CA CG2 CG1 HB
 &rst iat=1494,1498,1502,1497, &end
#
#  chirality for residue 94 atoms:  CB CD1 HG12 HG13
 &rst iat=1496,1505,1503,1504, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1492,1509,1495,1496, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1513,1518,1516,1517, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1511,1529,1514,1515, &end
#
#  chirality for residue 96 atoms:  CA CG1 CG2 HB
 &rst iat=1533,1537,1541,1536, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1531,1545,1534,1535, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1549,1554,1552,1553, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1547,1557,1550,1551, &end
#
#  chirality for residue 98 atoms:  CA OG HB2 HB3
 &rst iat=1561,1566,1564,1565, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1559,1568,1562,1563, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1572,1577,1575,1576, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1570,1580,1573,1574, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1584,1589,1587,1588, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1582,1597,1585,1586, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1599,1607,1602,1603, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1611,1616,1614,1615, &end
#
#  chirality for residue 102 atoms:  CB CD1 CD2 HG
 &rst iat=1613,1618,1622,1617, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1609,1626,1612,1613, &end
#
#  chirality for residue 103 atoms:  CA CG2 OG1 HB
 &rst iat=1630,1634,1638,1633, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1628,1640,1631,1632, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1644,1649,1647,1648, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1642,1652,1645,1646, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1654,1662,1657,1658, &end
#
#  chirality for residue 106 atoms:  CA CG HB2 HB3
 &rst iat=1666,1671,1669,1670, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1664,1682,1667,1668, &end
#
#  chirality for residue 107 atoms:  CA CG HB2 HB3
 &rst iat=1686,1691,1689,1690, &end
#
#  chirality for residue 107 atoms:  CB CD HG2 HG3
 &rst iat=1688,1694,1692,1693, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1684,1697,1687,1688, &end
#
#  chirality for residue 108 atoms:  CA CG HB2 HB3
 &rst iat=1701,1706,1704,1705, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1699,1711,1702,1703, &end
#
#  chirality for residue 109 atoms:  CA CG HB2 HB3
 &rst iat=1715,1720,1718,1719, &end
#
#  chirality for residue 109 atoms:  CB CD HG2 HG3
 &rst iat=1717,1723,1721,1722, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1713,1726,1716,1717, &end
#
#  chirality for residue 110 atoms:  CA CG HB2 HB3
 &rst iat=1730,1735,1733,1734, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1728,1747,1731,1732, &end
#
#  chirality for residue 111 atoms:  CA CG1 CG2 HB
 &rst iat=1751,1755,1759,1754, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1749,1763,1752,1753, &end
#
#  chirality for residue 112 atoms:  CA CG HB2 HB3
 &rst iat=1775,1769,1773,1774, &end
#
#  chirality for residue 112 atoms:  CB CD HG2 HG3
 &rst iat=1772,1766,1770,1771, &end
#
#  chirality for residue 112 atoms:  CG N HD2 HD3
 &rst iat=1769,1765,1767,1768, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1765,1777,1776,1772, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1779,1787,1782,1783, &end
#
#  chirality for residue 114 atoms:  CA CG HB2 HB3
 &rst iat=1791,1796,1794,1795, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1789,1808,1792,1793, &end
#
#  chirality for residue 115 atoms:  CA CG HB2 HB3
 &rst iat=1812,1817,1815,1816, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1810,1829,1813,1814, &end
#
#  chirality for residue 116 atoms:  CA CG1 CG2 HB
 &rst iat=1833,1837,1841,1836, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1831,1845,1834,1835, &end
#
#  chirality for residue 117 atoms:  CA CG HB2 HB3
 &rst iat=1849,1854,1852,1853, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1847,1865,1850,1851, &end
#
#  chirality for residue 118 atoms:  CA CG HB2 HB3
 &rst iat=1869,1874,1872,1873, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1867,1877,1870,1871, &end
#
#  chirality for residue 119 atoms:  CA CG HB2 HB3
 &rst iat=1881,1886,1884,1885, &end
#
#  chirality for residue 119 atoms:  CB CD HG2 HG3
 &rst iat=1883,1889,1887,1888, &end
#
#  chirality for residue 119 atoms:  CD NZ HE2 HE3
 &rst iat=1889,1895,1893,1894, &end
#
#  chirality for residue 119 atoms:  CG CE HD2 HD3
 &rst iat=1886,1892,1890,1891, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1879,1899,1882,1883, &end
#
#  chirality for residue 120 atoms:  CA CG2 OG1 HB
 &rst iat=1903,1907,1911,1906, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1901,1913,1904,1905, &end
#
#  chirality for residue 121 atoms:  N C HA2 HA3
 &rst iat=1915,1920,1918,1919, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=1924,1929,1927,1928, &end
#
#  chirality for residue 122 atoms:  CB CD HG2 HG3
 &rst iat=1926,1932,1930,1931, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1922,1937,1925,1926, &end
#
#  chirality for residue 123 atoms:  CA CG HB2 HB3
 &rst iat=1941,1946,1944,1945, &end
#
#  chirality for residue 123 atoms:  CB CD1 CD2 HG
 &rst iat=1943,1948,1952,1947, &end
#
#  chirality for residue 123 atoms:  N C HA CB
 &rst iat=1939,1956,1942,1943, &end
#
#  chirality for residue 124 atoms:  CA CG HB2 HB3
 &rst iat=1960,1965,1963,1964, &end
#
#  chirality for residue 124 atoms:  CB CD HG2 HG3
 &rst iat=1962,1968,1966,1967, &end
#
#  chirality for residue 124 atoms:  CG NE HD2 HD3
 &rst iat=1965,1971,1969,1970, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=1958,1980,1961,1962, &end
#
#  chirality for residue 125 atoms:  CA CG HB2 HB3
 &rst iat=1984,1989,1987,1988, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=1982,1997,1985,1986, &end
#
#  chirality for residue 126 atoms:  CA CG HB2 HB3
 &rst iat=2001,2006,2004,2005, &end
#
#  chirality for residue 126 atoms:  N C HA CB
 &rst iat=1999,2017,2002,2003, &end
#
#  chirality for residue 127 atoms:  CA CG HB2 HB3
 &rst iat=2021,2026,2024,2025, &end
#
#  chirality for residue 127 atoms:  CB CD HG2 HG3
 &rst iat=2023,2029,2027,2028, &end
#
#  chirality for residue 127 atoms:  N C HA CB
 &rst iat=2019,2034,2022,2023, &end
#
#  chirality for residue 128 atoms:  N C HA CB
 &rst iat=2036,2044,2039,2040, &end
#
#  chirality for residue 129 atoms:  N C HA2 HA3
 &rst iat=2046,2051,2049,2050, &end
#
#  chirality for residue 130 atoms:  N C HA2 HA3
 &rst iat=2053,2058,2056,2057, &end
#
#  chirality for residue 131 atoms:  CA OG HB2 HB3
 &rst iat=2062,2067,2065,2066, &end
#
#  chirality for residue 131 atoms:  N C HA CB
 &rst iat=2060,2069,2063,2064, &end
#
#  chirality for residue 132 atoms:  N C HA2 HA3
 &rst iat=2071,2076,2074,2075, &end
#
#  chirality for residue 133 atoms:  CA CG HB2 HB3
 &rst iat=2080,2085,2083,2084, &end
#
#  chirality for residue 133 atoms:  CB SD HG2 HG3
 &rst iat=2082,2088,2086,2087, &end
#
#  chirality for residue 133 atoms:  N C HA CB
 &rst iat=2078,2093,2081,2082, &end
#
#  chirality for residue 134 atoms:  CA CG HB2 HB3
 &rst iat=2097,2102,2100,2101, &end
#
#  chirality for residue 134 atoms:  CB CD HG2 HG3
 &rst iat=2099,2105,2103,2104, &end
#
#  chirality for residue 134 atoms:  CD NZ HE2 HE3
 &rst iat=2105,2111,2109,2110, &end
#
#  chirality for residue 134 atoms:  CG CE HD2 HD3
 &rst iat=2102,2108,2106,2107, &end
#
#  chirality for residue 134 atoms:  N C HA CB
 &rst iat=2095,2115,2098,2099, &end
#
#  chirality for residue 135 atoms:  CA CG HB2 HB3
 &rst iat=2119,2124,2122,2123, &end
#
#  chirality for residue 135 atoms:  CB SD HG2 HG3
 &rst iat=2121,2127,2125,2126, &end
#
#  chirality for residue 135 atoms:  N C HA CB
 &rst iat=2117,2132,2120,2121, &end
#
#  chirality for residue 136 atoms:  CA CG HB2 HB3
 &rst iat=2136,2141,2139,2140, &end
#
#  chirality for residue 136 atoms:  CB CD1 CD2 HG
 &rst iat=2138,2143,2147,2142, &end
#
#  chirality for residue 136 atoms:  N C HA CB
 &rst iat=2134,2151,2137,2138, &end
#
#  chirality for residue 137 atoms:  CA CG HB2 HB3
 &rst iat=2155,2160,2158,2159, &end
#
#  chirality for residue 137 atoms:  CB CD HG2 HG3
 &rst iat=2157,2163,2161,2162, &end
#
#  chirality for residue 137 atoms:  N C HA CB
 &rst iat=2153,2166,2156,2157, &end
#
#  chirality for residue 138 atoms:  CA CG HB2 HB3
 &rst iat=2170,2175,2173,2174, &end
#
#  chirality for residue 138 atoms:  CB CD HG2 HG3
 &rst iat=2172,2178,2176,2177, &end
#
#  chirality for residue 138 atoms:  CD NZ HE2 HE3
 &rst iat=2178,2184,2182,2183, &end
#
#  chirality for residue 138 atoms:  CG CE HD2 HD3
 &rst iat=2175,2181,2179,2180, &end
#
#  chirality for residue 138 atoms:  N C HA CB
 &rst iat=2168,2188,2171,2172, &end
#
#  chirality for residue 139 atoms:  CA CG HB2 HB3
 &rst iat=2192,2197,2195,2196, &end
#
#  chirality for residue 139 atoms:  CB CD HG2 HG3
 &rst iat=2194,2200,2198,2199, &end
#
#  chirality for residue 139 atoms:  CG NE HD2 HD3
 &rst iat=2197,2203,2201,2202, &end
#
#  chirality for residue 139 atoms:  N C HA CB
 &rst iat=2190,2212,2193,2194, &end
#
#  chirality for residue 140 atoms:  CA CG1 CG2 HB
 &rst iat=2216,2220,2224,2219, &end
#
#  chirality for residue 140 atoms:  N C HA CB
 &rst iat=2214,2228,2217,2218, &end
#
#  chirality for residue 141 atoms:  CA CG HB2 HB3
 &rst iat=2232,2237,2235,2236, &end
#
#  chirality for residue 141 atoms:  N C HA CB
 &rst iat=2230,2242,2233,2234, &end
#
#  chirality for residue 142 atoms:  CA CG HB2 HB3
 &rst iat=2246,2251,2249,2250, &end
#
#  chirality for residue 142 atoms:  CB CD HG2 HG3
 &rst iat=2248,2254,2252,2253, &end
#
#  chirality for residue 142 atoms:  CG NE HD2 HD3
 &rst iat=2251,2257,2255,2256, &end
#
#  chirality for residue 142 atoms:  N C HA CB
 &rst iat=2244,2266,2247,2248, &end
#
#  chirality for residue 143 atoms:  CA CG1 CG2 HB
 &rst iat=2270,2274,2278,2273, &end
#
#  chirality for residue 143 atoms:  N C HA CB
 &rst iat=2268,2282,2271,2272, &end
#
#  chirality for residue 144 atoms:  CA CG HB2 HB3
 &rst iat=2286,2291,2289,2290, &end
#
#  chirality for residue 144 atoms:  CB CD1 CD2 HG
 &rst iat=2288,2293,2297,2292, &end
#
#  chirality for residue 144 atoms:  N C HA CB
 &rst iat=2284,2301,2287,2288, &end
#
#  chirality for residue 145 atoms:  N C HA CB
 &rst iat=2303,2311,2306,2307, &end
#
#  chirality for residue 146 atoms:  CA CG HB2 HB3
 &rst iat=2315,2320,2318,2319, &end
#
#  chirality for residue 146 atoms:  CB CD HG2 HG3
 &rst iat=2317,2323,2321,2322, &end
#
#  chirality for residue 146 atoms:  N C HA CB
 &rst iat=2313,2326,2316,2317, &end
#
#  chirality for residue 147 atoms:  CA CG2 OG1 HB
 &rst iat=2330,2334,2338,2333, &end
#
#  chirality for residue 147 atoms:  N C HA CB
 &rst iat=2328,2340,2331,2332, &end
#
#  chirality for residue 148 atoms:  CA CG HB2 HB3
 &rst iat=2344,2349,2347,2348, &end
#
#  chirality for residue 148 atoms:  CB CD HG2 HG3
 &rst iat=2346,2352,2350,2351, &end
#
#  chirality for residue 148 atoms:  N C HA CB
 &rst iat=2342,2355,2345,2346, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &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=677,675,673,666, &end
#
#  trans-omega constraint for residue 43
 &rst iat=694,692,690,677, &end
#
#  trans-omega constraint for residue 44
 &rst iat=713,711,709,694, &end
#
#  trans-omega constraint for residue 45
 &rst iat=724,722,720,713, &end
#
#  trans-omega constraint for residue 46
 &rst iat=746,744,742,724, &end
#
#  trans-omega constraint for residue 47
 &rst iat=761,759,757,746, &end
#
#  trans-omega constraint for residue 48
 &rst iat=771,769,767,761, &end
#
#  trans-omega constraint for residue 49
 &rst iat=796,786,784,771, &end
#
#  trans-omega constraint for residue 50
 &rst iat=802,800,798,796, &end
#
#  trans-omega constraint for residue 51
 &rst iat=819,817,815,802, &end
#
#  trans-omega constraint for residue 52
 &rst iat=835,833,831,819, &end
#
#  trans-omega constraint for residue 53
 &rst iat=849,847,845,835, &end
#
#  trans-omega constraint for residue 54
 &rst iat=864,862,860,849, &end
#
#  trans-omega constraint for residue 55
 &rst iat=884,882,880,864, &end
#
#  trans-omega constraint for residue 56
 &rst iat=908,906,904,884, &end
#
#  trans-omega constraint for residue 57
 &rst iat=920,918,916,908, &end
#
#  trans-omega constraint for residue 58
 &rst iat=942,940,938,920, &end
#
#  trans-omega constraint for residue 59
 &rst iat=963,961,959,942, &end
#
#  trans-omega constraint for residue 60
 &rst iat=980,978,976,963, &end
#
#  trans-omega constraint for residue 61
 &rst iat=992,990,988,980, &end
#
#  trans-omega constraint for residue 62
 &rst iat=1009,1007,1005,992, &end
#
#  trans-omega constraint for residue 63
 &rst iat=1028,1026,1024,1009, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1042,1040,1038,1028, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1058,1056,1054,1042, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1074,1072,1070,1058, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1084,1082,1080,1074, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1100,1098,1096,1084, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1117,1115,1113,1100, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1142,1132,1130,1117, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1148,1146,1144,1142, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1172,1170,1168,1148, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1183,1181,1179,1172, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1198,1196,1194,1183, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1210,1208,1206,1198, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1222,1220,1218,1210, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1241,1239,1237,1222, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1261,1251,1249,1241, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1267,1265,1263,1261, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1274,1272,1270,1267, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1296,1294,1292,1274, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1315,1313,1311,1296, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1337,1335,1333,1315, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1352,1350,1348,1337, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1366,1364,1362,1352, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1376,1374,1372,1366, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1386,1384,1382,1376, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1401,1399,1397,1386, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1418,1416,1414,1401, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1430,1428,1426,1418, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1449,1447,1445,1430, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1463,1461,1459,1449, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1488,1478,1476,1463, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1494,1492,1490,1488, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1513,1511,1509,1494, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1533,1531,1529,1513, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1549,1547,1545,1533, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1561,1559,1557,1549, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1572,1570,1568,1561, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1584,1582,1580,1572, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1601,1599,1597,1584, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1611,1609,1607,1601, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1630,1628,1626,1611, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1644,1642,1640,1630, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1656,1654,1652,1644, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1666,1664,1662,1656, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1686,1684,1682,1666, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1701,1699,1697,1686, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1715,1713,1711,1701, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1730,1728,1726,1715, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1751,1749,1747,1730, &end
#
#  cis-omega constraint for residue 112
 &rst iat=1775,1765,1763,1751, 
   r1=-30., r2=-10., r3=10., r4=30., rk2 = 150., rk3=150.,  &end

#
#  trans-omega constraint for residue 113
 &rst iat=1781,1779,1777,1775,
   r1=150., r2=170., r3=190., r4=210., rk2 =150., rk3=150.,  &end

#
#  trans-omega constraint for residue 114
 &rst iat=1791,1789,1787,1781, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1812,1810,1808,1791, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1833,1831,1829,1812, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1849,1847,1845,1833, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1869,1867,1865,1849, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1881,1879,1877,1869, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1903,1901,1899,1881, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1917,1915,1913,1903, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1924,1922,1920,1917, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1941,1939,1937,1924, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1960,1958,1956,1941, &end
#
#  trans-omega constraint for residue 125
 &rst iat=1984,1982,1980,1960, &end
#
#  trans-omega constraint for residue 126
 &rst iat=2001,1999,1997,1984, &end
#
#  trans-omega constraint for residue 127
 &rst iat=2021,2019,2017,2001, &end
#
#  trans-omega constraint for residue 128
 &rst iat=2038,2036,2034,2021, &end
#
#  trans-omega constraint for residue 129
 &rst iat=2048,2046,2044,2038, &end
#
#  trans-omega constraint for residue 130
 &rst iat=2055,2053,2051,2048, &end
#
#  trans-omega constraint for residue 131
 &rst iat=2062,2060,2058,2055, &end
#
#  trans-omega constraint for residue 132
 &rst iat=2073,2071,2069,2062, &end
#
#  trans-omega constraint for residue 133
 &rst iat=2080,2078,2076,2073, &end
#
#  trans-omega constraint for residue 134
 &rst iat=2097,2095,2093,2080, &end
#
#  trans-omega constraint for residue 135
 &rst iat=2119,2117,2115,2097, &end
#
#  trans-omega constraint for residue 136
 &rst iat=2136,2134,2132,2119, &end
#
#  trans-omega constraint for residue 137
 &rst iat=2155,2153,2151,2136, &end
#
#  trans-omega constraint for residue 138
 &rst iat=2170,2168,2166,2155, &end
#
#  trans-omega constraint for residue 139
 &rst iat=2192,2190,2188,2170, &end
#
#  trans-omega constraint for residue 140
 &rst iat=2216,2214,2212,2192, &end
#
#  trans-omega constraint for residue 141
 &rst iat=2232,2230,2228,2216, &end
#
#  trans-omega constraint for residue 142
 &rst iat=2246,2244,2242,2232, &end
#
#  trans-omega constraint for residue 143
 &rst iat=2270,2268,2266,2246, &end
#
#  trans-omega constraint for residue 144
 &rst iat=2286,2284,2282,2270, &end
#
#  trans-omega constraint for residue 145
 &rst iat=2305,2303,2301,2286, &end
#
#  trans-omega constraint for residue 146
 &rst iat=2315,2313,2311,2305, &end
#
#  trans-omega constraint for residue 147
 &rst iat=2330,2328,2326,2315, &end
#
#  trans-omega constraint for residue 148
 &rst iat=2344,2342,2340,2330, &end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           H1       MET   1   2.519  -3.083  -1.513
    2   2H    MET   1           H2       MET   1   3.468  -2.339  -0.411
    3   3H    MET   1           H3       MET   1   2.082  -1.620  -0.925
    4    HA   MET   1           HA       MET   1   2.952  -1.405  -3.160
    5   1HB   MET   1          HB2       MET   1   4.689  -0.207  -0.943
    6   2HB   MET   1          HB3       MET   1   4.951   0.135  -2.649
    7   1HG   MET   1          HG2       MET   1   2.521   0.922  -2.771
    8   2HG   MET   1          HG3       MET   1   2.520   0.844  -1.003
    9   1HE   MET   1          HE1       MET   1   4.681   3.949  -3.658
   10   2HE   MET   1          HE2       MET   1   5.019   2.228  -3.914
   11   3HE   MET   1          HE3       MET   1   3.366   2.861  -4.149
   12    H    LYS   2           H        LYS   2   4.400  -2.088  -4.739
   13    HA   LYS   2           HA       LYS   2   6.650  -3.848  -3.998
   14   1HB   LYS   2          HB2       LYS   2   6.108  -2.553  -6.706
   15   2HB   LYS   2          HB3       LYS   2   7.147  -3.922  -6.333
   16   1HG   LYS   2          HG2       LYS   2   4.672  -4.801  -5.394
   17   2HG   LYS   2          HG3       LYS   2   4.219  -3.797  -6.777
   18   1HD   LYS   2          HD2       LYS   2   5.846  -5.128  -8.181
   19   2HD   LYS   2          HD3       LYS   2   6.149  -6.154  -6.758
   20   1HE   LYS   2          HE2       LYS   2   3.688  -6.652  -6.646
   21   2HE   LYS   2          HE3       LYS   2   3.454  -5.708  -8.124
   22   1HZ   LYS   2          HZ1       LYS   2   4.899  -7.296  -9.275
   23   2HZ   LYS   2          HZ2       LYS   2   5.088  -8.174  -7.903
   24   3HZ   LYS   2          HZ3       LYS   2   3.621  -8.059  -8.606
   25    H    LEU   3           H        LEU   3   8.832  -3.209  -4.247
   26    HA   LEU   3           HA       LEU   3   9.526  -0.391  -3.903
   27   1HB   LEU   3          HB2       LEU   3  11.284  -2.786  -4.596
   28   2HB   LEU   3          HB3       LEU   3  11.850  -1.197  -4.095
   29    HG   LEU   3           HG       LEU   3  10.296  -3.174  -2.374
   30   1HD1  LEU   3          HD11      LEU   3  12.650  -3.789  -2.760
   31   2HD1  LEU   3          HD12      LEU   3  13.172  -2.193  -2.184
   32   3HD1  LEU   3          HD13      LEU   3  12.368  -3.326  -1.076
   33   1HD2  LEU   3          HD21      LEU   3  11.334  -0.397  -1.669
   34   2HD2  LEU   3          HD22      LEU   3   9.636  -0.934  -1.682
   35   3HD2  LEU   3          HD23      LEU   3  10.750  -1.600  -0.492
   36    H    ARG   4           H        ARG   4  11.158   0.526  -5.484
   37    HA   ARG   4           HA       ARG   4  11.680   1.469  -7.395
   38   1HB   ARG   4          HB2       ARG   4  10.970  -1.182  -8.699
   39   2HB   ARG   4          HB3       ARG   4  11.887   0.125  -9.438
   40   1HG   ARG   4          HG2       ARG   4  13.661  -0.093  -7.733
   41   2HG   ARG   4          HG3       ARG   4  12.746  -1.369  -6.920
   42   1HD   ARG   4          HD2       ARG   4  14.491  -2.357  -8.277
   43   2HD   ARG   4          HD3       ARG   4  12.894  -2.802  -8.903
   44    HE   ARG   4           HE       ARG   4  13.807  -0.469 -10.261
   45   1HH1  ARG   4          HH11      ARG   4  14.631  -3.918 -10.048
   46   2HH1  ARG   4          HH12      ARG   4  15.193  -4.034 -11.679
   47   1HH2  ARG   4          HH21      ARG   4  14.510  -0.624 -12.448
   48   2HH2  ARG   4          HH22      ARG   4  15.125  -2.113 -13.070
   49    H    GLN   5           H        GLN   5   8.463   1.003  -6.771
   50    HA   GLN   5           HA       GLN   5   7.354   1.962  -9.273
   51   1HB   GLN   5          HB2       GLN   5   6.331   2.093  -6.401
   52   2HB   GLN   5          HB3       GLN   5   5.415   2.633  -7.810
   53   1HG   GLN   5          HG2       GLN   5   5.538   0.346  -8.784
   54   2HG   GLN   5          HG3       GLN   5   6.385  -0.217  -7.336
   55   1HE2  GLN   5          HE22      GLN   5   5.233   0.182  -5.202
   56   2HE2  GLN   5          HE21      GLN   5   3.456   0.215  -5.194
   57    HA   PRO   6           HA       PRO   6   8.539   6.280  -8.643
   58   1HB   PRO   6          HB2       PRO   6   6.732   7.576 -10.232
   59   2HB   PRO   6          HB3       PRO   6   8.105   6.630 -10.884
   60   1HG   PRO   6          HG2       PRO   6   5.223   5.750 -10.549
   61   2HG   PRO   6          HG3       PRO   6   6.286   5.547 -11.976
   62   1HD   PRO   6          HD2       PRO   6   5.892   3.561 -10.132
   63   2HD   PRO   6          HD3       PRO   6   7.460   3.778 -10.966
   64    H    MET   7           H        MET   7   7.878   7.948  -7.259
   65    HA   MET   7           HA       MET   7   5.752   7.658  -5.459
   66   1HB   MET   7          HB2       MET   7   6.068  10.139  -5.043
   67   2HB   MET   7          HB3       MET   7   7.396   9.032  -4.725
   68   1HG   MET   7          HG2       MET   7   8.502   9.695  -6.817
   69   2HG   MET   7          HG3       MET   7   7.159  10.758  -7.213
   70   1HE   MET   7          HE1       MET   7   8.859  10.376  -3.524
   71   2HE   MET   7          HE2       MET   7  10.085   9.985  -4.745
   72   3HE   MET   7          HE3       MET   7  10.224  11.477  -3.795
   73    HA   PRO   8           HA       PRO   8   2.518   8.746  -8.361
   74   1HB   PRO   8          HB2       PRO   8   0.395   7.685  -7.105
   75   2HB   PRO   8          HB3       PRO   8   1.790   6.686  -7.577
   76   1HG   PRO   8          HG2       PRO   8   1.237   7.857  -4.821
   77   2HG   PRO   8          HG3       PRO   8   1.685   6.183  -5.260
   78   1HD   PRO   8          HD2       PRO   8   3.517   8.130  -4.491
   79   2HD   PRO   8          HD3       PRO   8   3.894   6.731  -5.548
   80    H    GLU   9           H        GLU   9   0.358   9.250  -5.655
   81    HA   GLU   9           HA       GLU   9  -0.280  11.868  -6.798
   82   1HB   GLU   9          HB2       GLU   9  -1.796  10.071  -4.854
   83   2HB   GLU   9          HB3       GLU   9  -2.441  11.499  -5.663
   84   1HG   GLU   9          HG2       GLU   9  -1.552   8.956  -7.096
   85   2HG   GLU   9          HG3       GLU   9  -3.187   9.295  -6.567
   86    H    LEU  10           H        LEU  10   1.856  12.561  -5.569
   87    HA   LEU  10           HA       LEU  10   1.612  12.904  -2.684
   88   1HB   LEU  10          HB2       LEU  10   3.586  14.241  -4.570
   89   2HB   LEU  10          HB3       LEU  10   3.638  14.209  -2.812
   90    HG   LEU  10           HG       LEU  10   4.188  11.975  -4.774
   91   1HD1  LEU  10          HD11      LEU  10   6.013  13.515  -4.095
   92   2HD1  LEU  10          HD12      LEU  10   5.731  13.103  -2.392
   93   3HD1  LEU  10          HD13      LEU  10   6.313  11.871  -3.522
   94   1HD2  LEU  10          HD21      LEU  10   3.699  11.591  -1.792
   95   2HD2  LEU  10          HD22      LEU  10   2.760  10.877  -3.124
   96   3HD2  LEU  10          HD23      LEU  10   4.433  10.391  -2.882
   97    H    THR  11           H        THR  11  -0.491  13.911  -2.601
   98    HA   THR  11           HA       THR  11  -0.349  16.829  -2.672
   99    HB   THR  11           HB       THR  11  -1.045  16.097  -4.963
  100    HG1  THR  11           HG1      THR  11  -2.630  17.597  -5.114
  101   1HG2  THR  11          HG21      THR  11  -2.337  14.052  -4.401
  102   2HG2  THR  11          HG22      THR  11  -3.587  15.052  -3.636
  103   3HG2  THR  11          HG23      THR  11  -3.271  15.185  -5.380
  104    H    GLY  12           H        GLY  12  -2.355  17.756  -1.639
  105   1HA   GLY  12          HA2       GLY  12  -4.125  16.129  -0.116
  106   2HA   GLY  12          HA3       GLY  12  -2.896  16.863   0.934
  107    H    GLU  13           H        GLU  13  -5.219  17.815   1.616
  108    HA   GLU  13           HA       GLU  13  -5.648  20.417   0.343
  109   1HB   GLU  13          HB2       GLU  13  -7.075  18.084  -0.657
  110   2HB   GLU  13          HB3       GLU  13  -8.227  19.131   0.159
  111   1HG   GLU  13          HG2       GLU  13  -7.371  21.073  -1.183
  112   2HG   GLU  13          HG3       GLU  13  -6.321  19.963  -2.067
  113    H    LYS  14           H        LYS  14  -6.553  18.055   2.857
  114    HA   LYS  14           HA       LYS  14  -8.667  19.615   4.013
  115   1HB   LYS  14          HB2       LYS  14  -8.493  17.263   4.469
  116   2HB   LYS  14          HB3       LYS  14  -6.873  17.429   5.157
  117   1HG   LYS  14          HG2       LYS  14  -7.667  18.517   7.106
  118   2HG   LYS  14          HG3       LYS  14  -9.238  18.894   6.370
  119   1HD   LYS  14          HD2       LYS  14  -9.901  16.571   6.391
  120   2HD   LYS  14          HD3       LYS  14  -8.300  16.054   6.971
  121   1HE   LYS  14          HE2       LYS  14  -8.603  17.138   9.087
  122   2HE   LYS  14          HE3       LYS  14 -10.017  18.040   8.519
  123   1HZ   LYS  14          HZ1       LYS  14 -11.296  16.047   8.496
  124   2HZ   LYS  14          HZ2       LYS  14  -9.991  15.087   8.772
  125   3HZ   LYS  14          HZ3       LYS  14 -10.518  16.096   9.946
  126    H    ALA  15           H        ALA  15  -5.161  19.439   4.589
  127    HA   ALA  15           HA       ALA  15  -5.015  22.216   5.202
  128   1HB   ALA  15          HB1       ALA  15  -5.639  21.492   7.483
  129   2HB   ALA  15          HB2       ALA  15  -4.367  20.246   7.464
  130   3HB   ALA  15          HB3       ALA  15  -3.938  21.970   7.456
  131    H    TRP  16           H        TRP  16  -2.622  22.753   5.523
  132    HA   TRP  16           HA       TRP  16  -0.740  20.606   5.262
  133   1HB   TRP  16          HB2       TRP  16   0.492  21.683   3.340
  134   2HB   TRP  16          HB3       TRP  16  -0.962  20.800   2.938
  135    HD1  TRP  16           HD1      TRP  16  -2.963  22.094   1.865
  136    HE1  TRP  16           HE1      TRP  16  -3.157  24.358   0.703
  137    HE3  TRP  16           HE3      TRP  16   1.360  24.227   3.581
  138    HZ2  TRP  16           HZ2      TRP  16  -1.541  26.760   0.419
  139    HZ3  TRP  16           HZ3      TRP  16   2.023  26.501   2.826
  140    HH2  TRP  16           HH2      TRP  16   0.597  27.759   1.228
  141    H    LEU  17           H        LEU  17   1.476  21.418   5.574
  142    HA   LEU  17           HA       LEU  17   1.395  23.565   7.643
  143   1HB   LEU  17          HB2       LEU  17   1.212  20.677   7.981
  144   2HB   LEU  17          HB3       LEU  17   2.789  21.178   8.547
  145    HG   LEU  17           HG       LEU  17   1.163  21.040  10.334
  146   1HD1  LEU  17          HD11      LEU  17   3.032  22.643  10.519
  147   2HD1  LEU  17          HD12      LEU  17   2.003  23.933   9.858
  148   3HD1  LEU  17          HD13      LEU  17   1.606  23.179  11.413
  149   1HD2  LEU  17          HD21      LEU  17  -0.356  23.360   9.077
  150   2HD2  LEU  17          HD22      LEU  17  -0.848  21.658   8.951
  151   3HD2  LEU  17          HD23      LEU  17  -0.773  22.435  10.531
  152    H    ASN  18           H        ASN  18   3.179  24.740   7.584
  153    HA   ASN  18           HA       ASN  18   5.208  25.571   7.207
  154   1HB   ASN  18          HB2       ASN  18   6.275  22.832   6.496
  155   2HB   ASN  18          HB3       ASN  18   7.185  24.250   6.971
  156   1HD2  ASN  18          HD22      ASN  18   6.274  21.335   8.132
  157   2HD2  ASN  18          HD21      ASN  18   6.242  21.724   9.854
  158    H    GLY  19           H        GLY  19   4.063  23.280   4.728
  159   1HA   GLY  19          HA2       GLY  19   3.905  25.142   2.646
  160   2HA   GLY  19          HA3       GLY  19   5.467  24.314   2.497
  161    H    GLU  20           H        GLU  20   3.828  23.825   0.465
  162    HA   GLU  20           HA       GLU  20   3.589  20.966   0.759
  163   1HB   GLU  20          HB2       GLU  20   1.465  20.746  -0.438
  164   2HB   GLU  20          HB3       GLU  20   1.302  21.469   1.134
  165   1HG   GLU  20          HG2       GLU  20  -0.191  22.650  -0.175
  166   2HG   GLU  20          HG3       GLU  20   1.161  23.749   0.001
  167    H    VAL  21           H        VAL  21   3.672  19.937  -1.394
  168    HA   VAL  21           HA       VAL  21   5.033  21.424  -3.495
  169    HB   VAL  21           HB       VAL  21   6.639  21.451  -1.603
  170   1HG1  VAL  21          HG11      VAL  21   5.943  19.463  -0.349
  171   2HG1  VAL  21          HG12      VAL  21   6.534  18.414  -1.647
  172   3HG1  VAL  21          HG13      VAL  21   7.668  19.419  -0.720
  173   1HG2  VAL  21          HG21      VAL  21   7.628  19.550  -3.738
  174   2HG2  VAL  21          HG22      VAL  21   7.497  21.324  -3.900
  175   3HG2  VAL  21          HG23      VAL  21   8.582  20.627  -2.697
  176    H    THR  22           H        THR  22   5.494  19.927  -5.285
  177    HA   THR  22           HA       THR  22   3.915  17.407  -5.124
  178    HB   THR  22           HB       THR  22   3.926  17.729  -7.670
  179    HG1  THR  22           HG1      THR  22   4.398  19.742  -8.430
  180   1HG2  THR  22          HG21      THR  22   1.944  18.197  -6.262
  181   2HG2  THR  22          HG22      THR  22   2.529  19.852  -5.975
  182   3HG2  THR  22          HG23      THR  22   2.067  19.335  -7.614
  183    H    ARG  23           H        ARG  23   4.747  15.626  -6.519
  184    HA   ARG  23           HA       ARG  23   7.348  14.836  -5.881
  185   1HB   ARG  23          HB2       ARG  23   7.121  13.109  -7.562
  186   2HB   ARG  23          HB3       ARG  23   5.615  13.294  -6.667
  187   1HG   ARG  23          HG2       ARG  23   4.736  14.654  -8.661
  188   2HG   ARG  23          HG3       ARG  23   6.223  14.182  -9.517
  189   1HD   ARG  23          HD2       ARG  23   5.619  11.780  -9.103
  190   2HD   ARG  23          HD3       ARG  23   4.076  12.342  -8.433
  191    HE   ARG  23           HE       ARG  23   4.805  13.276 -11.140
  192   1HH1  ARG  23          HH11      ARG  23   2.799  11.049  -9.240
  193   2HH1  ARG  23          HH12      ARG  23   1.937  10.434 -10.617
  194   1HH2  ARG  23          HH21      ARG  23   3.615  12.526 -12.950
  195   2HH2  ARG  23          HH22      ARG  23   2.387  11.328 -12.762
  196    H    GLU  24           H        GLU  24   6.275  16.477  -8.889
  197    HA   GLU  24           HA       GLU  24   8.816  16.394 -10.118
  198   1HB   GLU  24          HB2       GLU  24   7.823  17.885 -11.777
  199   2HB   GLU  24          HB3       GLU  24   6.729  16.577 -11.337
  200   1HG   GLU  24          HG2       GLU  24   5.486  18.145  -9.828
  201   2HG   GLU  24          HG3       GLU  24   6.555  19.455 -10.335
  202    H    GLN  25           H        GLN  25   7.918  18.345  -7.473
  203    HA   GLN  25           HA       GLN  25   9.998  20.394  -8.098
  204   1HB   GLN  25          HB2       GLN  25   7.748  20.315  -6.057
  205   2HB   GLN  25          HB3       GLN  25   8.999  21.564  -6.116
  206   1HG   GLN  25          HG2       GLN  25   8.281  22.158  -8.426
  207   2HG   GLN  25          HG3       GLN  25   6.990  20.958  -8.328
  208   1HE2  GLN  25          HE22      GLN  25   5.113  21.418  -7.046
  209   2HE2  GLN  25          HE21      GLN  25   4.833  23.005  -6.341
  210    H    LEU  26           H        LEU  26   9.507  17.444  -6.373
  211    HA   LEU  26           HA       LEU  26  11.510  18.098  -4.287
  212   1HB   LEU  26          HB2       LEU  26   9.177  16.425  -4.349
  213   2HB   LEU  26          HB3       LEU  26  10.544  15.330  -4.334
  214    HG   LEU  26           HG       LEU  26  11.479  16.792  -2.400
  215   1HD1  LEU  26          HD11      LEU  26   9.932  18.679  -2.589
  216   2HD1  LEU  26          HD12      LEU  26   8.550  17.588  -2.349
  217   3HD1  LEU  26          HD13      LEU  26   9.702  17.876  -1.025
  218   1HD2  LEU  26          HD21      LEU  26   9.003  15.059  -2.018
  219   2HD2  LEU  26          HD22      LEU  26  10.690  14.523  -2.138
  220   3HD2  LEU  26          HD23      LEU  26  10.177  15.489  -0.746
  221    H    ILE  27           H        ILE  27  10.882  15.633  -6.834
  222    HA   ILE  27           HA       ILE  27  13.614  14.586  -6.552
  223    HB   ILE  27           HB       ILE  27  12.764  12.966  -8.362
  224   1HG1  ILE  27          HG12      ILE  27  10.010  13.759  -7.474
  225   2HG1  ILE  27          HG13      ILE  27  10.733  14.557  -8.894
  226   1HG2  ILE  27          HG21      ILE  27  13.048  12.359  -6.025
  227   2HG2  ILE  27          HG22      ILE  27  11.510  13.141  -5.583
  228   3HG2  ILE  27          HG23      ILE  27  11.508  11.697  -6.592
  229   1HD1  ILE  27          HD11      ILE  27  10.987  12.324  -9.954
  230   2HD1  ILE  27          HD12      ILE  27  10.140  11.607  -8.555
  231   3HD1  ILE  27          HD13      ILE  27   9.302  12.757  -9.597
  232    H    GLY  28           H        GLY  28  14.874  14.105  -8.523
  233   1HA   GLY  28          HA2       GLY  28  15.432  14.898 -10.791
  234   2HA   GLY  28          HA3       GLY  28  14.999  16.533 -10.271
  235    H    GLU  29           H        GLU  29  16.258  15.864  -7.509
  236    HA   GLU  29           HA       GLU  29  19.107  16.293  -8.329
  237   1HB   GLU  29          HB2       GLU  29  17.734  18.388  -8.073
  238   2HB   GLU  29          HB3       GLU  29  17.504  17.975  -6.370
  239   1HG   GLU  29          HG2       GLU  29  19.990  18.045  -6.051
  240   2HG   GLU  29          HG3       GLU  29  20.186  18.434  -7.760
  241    H    LYS  30           H        LYS  30  16.900  15.471  -5.544
  242    HA   LYS  30           HA       LYS  30  19.218  14.087  -4.305
  243   1HB   LYS  30          HB2       LYS  30  17.358  15.415  -2.391
  244   2HB   LYS  30          HB3       LYS  30  19.083  15.119  -2.307
  245   1HG   LYS  30          HG2       LYS  30  19.324  17.033  -4.029
  246   2HG   LYS  30          HG3       LYS  30  17.655  17.440  -3.620
  247   1HD   LYS  30          HD2       LYS  30  20.004  17.241  -1.686
  248   2HD   LYS  30          HD3       LYS  30  19.427  18.740  -2.382
  249   1HE   LYS  30          HE2       LYS  30  17.649  16.963  -0.646
  250   2HE   LYS  30          HE3       LYS  30  18.745  18.173   0.023
  251   1HZ   LYS  30          HZ1       LYS  30  17.569  19.859  -1.328
  252   2HZ   LYS  30          HZ2       LYS  30  16.446  18.729  -1.761
  253   3HZ   LYS  30          HZ3       LYS  30  16.628  19.165  -0.198
  254    HA   PRO  31           HA       PRO  31  16.107  10.914  -3.536
  255   1HB   PRO  31          HB2       PRO  31  17.081   9.733  -1.245
  256   2HB   PRO  31          HB3       PRO  31  17.786   9.475  -2.868
  257   1HG   PRO  31          HG2       PRO  31  18.714  11.365  -0.706
  258   2HG   PRO  31          HG3       PRO  31  19.692  10.250  -1.714
  259   1HD   PRO  31          HD2       PRO  31  19.436  12.912  -2.275
  260   2HD   PRO  31          HD3       PRO  31  19.585  11.696  -3.566
  261    H    THR  32           H        THR  32  14.690  10.222  -1.559
  262    HA   THR  32           HA       THR  32  13.835  12.675  -0.091
  263    HB   THR  32           HB       THR  32  12.373  10.964  -2.116
  264    HG1  THR  32           HG1      THR  32  12.540  12.658  -3.344
  265   1HG2  THR  32          HG21      THR  32  10.742  11.291  -0.368
  266   2HG2  THR  32          HG22      THR  32  11.145  13.020  -0.244
  267   3HG2  THR  32          HG23      THR  32  10.353  12.360  -1.699
  268    H    LEU  33           H        LEU  33  12.641  12.293   1.763
  269    HA   LEU  33           HA       LEU  33  11.885   9.487   2.445
  270   1HB   LEU  33          HB2       LEU  33  13.456  10.270   4.140
  271   2HB   LEU  33          HB3       LEU  33  12.633  11.831   4.249
  272    HG   LEU  33           HG       LEU  33  10.624  10.754   5.211
  273   1HD1  LEU  33          HD11      LEU  33  10.815   8.497   4.187
  274   2HD1  LEU  33          HD12      LEU  33  12.262   8.183   5.149
  275   3HD1  LEU  33          HD13      LEU  33  10.674   8.419   5.932
  276   1HD2  LEU  33          HD21      LEU  33  13.185  10.026   6.677
  277   2HD2  LEU  33          HD22      LEU  33  12.341  11.589   6.733
  278   3HD2  LEU  33          HD23      LEU  33  11.564  10.150   7.394
  279    H    ILE  34           H        ILE  34   9.713   9.233   2.397
  280    HA   ILE  34           HA       ILE  34   7.950  11.558   3.007
  281    HB   ILE  34           HB       ILE  34   7.082   8.998   1.609
  282   1HG1  ILE  34          HG12      ILE  34   7.823  11.631   0.263
  283   2HG1  ILE  34          HG13      ILE  34   8.605  10.073   0.046
  284   1HG2  ILE  34          HG21      ILE  34   5.368  10.306   2.890
  285   2HG2  ILE  34          HG22      ILE  34   5.703  11.712   1.856
  286   3HG2  ILE  34          HG23      ILE  34   5.015  10.223   1.175
  287   1HD1  ILE  34          HD11      ILE  34   6.372   9.189  -0.837
  288   2HD1  ILE  34          HD12      ILE  34   5.847  10.887  -0.881
  289   3HD1  ILE  34          HD13      ILE  34   7.232  10.364  -1.851
  290    H    HIS  35           H        HIS  35   6.849  11.222   5.011
  291    HA   HIS  35           HA       HIS  35   6.746   8.433   6.004
  292   1HB   HIS  35          HB2       HIS  35   7.401   8.985   8.198
  293   2HB   HIS  35          HB3       HIS  35   8.686   9.505   7.115
  294    HD1  HIS  35           HD1      HIS  35   6.324  10.778   9.758
  295    HD2  HIS  35           HD2      HIS  35   8.968  12.269   6.840
  296    HE1  HIS  35           HE1      HIS  35   6.742  13.214  10.344
  297    H    PHE  36           H        PHE  36   5.049   7.953   7.356
  298    HA   PHE  36           HA       PHE  36   2.722   9.804   7.101
  299   1HB   PHE  36          HB2       PHE  36   2.868   6.769   7.120
  300   2HB   PHE  36          HB3       PHE  36   1.383   7.693   7.257
  301    HD1  PHE  36           HD1      PHE  36   0.997   5.908   5.377
  302    HD2  PHE  36           HD2      PHE  36   3.356   9.476   4.842
  303    HE1  PHE  36           HE1      PHE  36   0.668   5.797   2.910
  304    HE2  PHE  36           HE2      PHE  36   3.007   9.354   2.421
  305    HZ   PHE  36           HZ       PHE  36   1.622   7.543   1.449
  306    H    TRP  37           H        TRP  37   1.688  10.315   9.027
  307    HA   TRP  37           HA       TRP  37   2.436   8.913  11.508
  308   1HB   TRP  37          HB2       TRP  37   3.334  10.850  12.569
  309   2HB   TRP  37          HB3       TRP  37   4.251  10.528  11.121
  310    HD1  TRP  37           HD1      TRP  37   3.313  12.179   8.904
  311    HE1  TRP  37           HE1      TRP  37   2.961  14.704   8.948
  312    HE3  TRP  37           HE3      TRP  37   2.886  12.838  13.967
  313    HZ2  TRP  37           HZ2      TRP  37   2.487  16.773  10.940
  314    HZ3  TRP  37           HZ3      TRP  37   2.563  15.108  14.899
  315    HH2  TRP  37           HH2      TRP  37   2.294  17.063  13.404
  316    H    SER  38           H        SER  38   1.301   9.987  13.409
  317    HA   SER  38           HA       SER  38  -1.304  11.231  12.863
  318   1HB   SER  38          HB2       SER  38  -0.932   8.464  14.059
  319   2HB   SER  38          HB3       SER  38  -2.415   9.402  14.208
  320    HG   SER  38           HG       SER  38  -2.494   9.419  11.883
  321    H    ILE  39           H        ILE  39  -1.658  12.660  14.657
  322    HA   ILE  39           HA       ILE  39   0.246  12.577  16.839
  323    HB   ILE  39           HB       ILE  39  -0.987  14.428  17.837
  324   1HG1  ILE  39          HG12      ILE  39  -2.843  14.341  15.436
  325   2HG1  ILE  39          HG13      ILE  39  -3.290  13.847  17.082
  326   1HG2  ILE  39          HG21      ILE  39   0.771  14.660  16.023
  327   2HG2  ILE  39          HG22      ILE  39  -0.573  15.027  14.904
  328   3HG2  ILE  39          HG23      ILE  39  -0.268  16.056  16.285
  329   1HD1  ILE  39          HD11      ILE  39  -2.875  16.137  17.895
  330   2HD1  ILE  39          HD12      ILE  39  -2.420  16.652  16.251
  331   3HD1  ILE  39          HD13      ILE  39  -4.062  16.119  16.572
  332    H    SER  40           H        SER  40  -2.335  10.513  16.347
  333    HA   SER  40           HA       SER  40  -3.067  10.302  19.182
  334   1HB   SER  40          HB2       SER  40  -3.898   8.589  16.815
  335   2HB   SER  40          HB3       SER  40  -4.660   8.656  18.415
  336    HG   SER  40           HG       SER  40  -4.944  10.258  16.245
  337    H    CYS  41           H        CYS  41  -0.436   9.042  17.350
  338    HA   CYS  41           HA       CYS  41  -0.583   6.378  18.701
  339   1HB   CYS  41          HB2       CYS  41   0.999   7.268  16.275
  340   2HB   CYS  41          HB3       CYS  41   0.913   5.622  16.914
  341    HG   CYS  41           HG       CYS  41  -0.490   5.744  14.740
  342    H    HIS  42           H        HIS  42   0.935   5.764  20.134
  343    HA   HIS  42           HA       HIS  42   2.659   7.579  21.382
  344   1HB   HIS  42          HB2       HIS  42   1.756   5.541  22.408
  345   2HB   HIS  42          HB3       HIS  42   2.700   4.533  21.314
  346    HD1  HIS  42           HD1      HIS  42   3.150   6.737  24.441
  347    HD2  HIS  42           HD2      HIS  42   5.276   4.130  21.901
  348    HE1  HIS  42           HE1      HIS  42   5.345   6.218  25.620
  349    H    LEU  43           H        LEU  43   3.479   5.077  18.884
  350    HA   LEU  43           HA       LEU  43   6.293   5.716  18.985
  351   1HB   LEU  43          HB2       LEU  43   4.632   4.276  16.885
  352   2HB   LEU  43          HB3       LEU  43   6.376   4.502  16.756
  353    HG   LEU  43           HG       LEU  43   4.972   2.958  18.971
  354   1HD1  LEU  43          HD11      LEU  43   4.931   1.843  16.759
  355   2HD1  LEU  43          HD12      LEU  43   6.694   2.031  16.632
  356   3HD1  LEU  43          HD13      LEU  43   5.995   0.990  17.889
  357   1HD2  LEU  43          HD21      LEU  43   7.945   3.421  18.444
  358   2HD2  LEU  43          HD22      LEU  43   7.028   3.902  19.892
  359   3HD2  LEU  43          HD23      LEU  43   7.299   2.196  19.556
  360    H    CYS  44           H        CYS  44   3.598   7.161  17.154
  361    HA   CYS  44           HA       CYS  44   5.296   8.682  15.384
  362   1HB   CYS  44          HB2       CYS  44   2.505   9.297  16.452
  363   2HB   CYS  44          HB3       CYS  44   3.332  10.211  15.191
  364    HG   CYS  44           HG       CYS  44   1.370   8.353  14.473
  365    H    LYS  45           H        LYS  45   4.086   9.252  18.757
  366    HA   LYS  45           HA       LYS  45   5.220  11.887  18.941
  367   1HB   LYS  45          HB2       LYS  45   4.768   9.900  21.211
  368   2HB   LYS  45          HB3       LYS  45   5.063  11.620  21.371
  369   1HG   LYS  45          HG2       LYS  45   2.585  10.305  20.221
  370   2HG   LYS  45          HG3       LYS  45   2.745  11.217  21.716
  371   1HD   LYS  45          HD2       LYS  45   3.368  13.261  20.263
  372   2HD   LYS  45          HD3       LYS  45   2.919  12.274  18.864
  373   1HE   LYS  45          HE2       LYS  45   0.980  13.505  19.319
  374   2HE   LYS  45          HE3       LYS  45   0.663  11.892  19.967
  375   1HZ   LYS  45          HZ1       LYS  45   1.168  12.773  22.189
  376   2HZ   LYS  45          HZ2       LYS  45   1.460  14.263  21.568
  377   3HZ   LYS  45          HZ3       LYS  45  -0.038  13.618  21.493
  378    H    GLU  46           H        GLU  46   6.753   8.709  19.148
  379    HA   GLU  46           HA       GLU  46   9.242   9.860  20.226
  380   1HB   GLU  46          HB2       GLU  46   8.539   7.095  19.151
  381   2HB   GLU  46          HB3       GLU  46  10.122   7.544  19.780
  382   1HG   GLU  46          HG2       GLU  46   7.525   7.624  21.381
  383   2HG   GLU  46          HG3       GLU  46   8.719   6.336  21.434
  384    H    ALA  47           H        ALA  47   7.908   8.811  17.060
  385    HA   ALA  47           HA       ALA  47  10.295   9.219  15.556
  386   1HB   ALA  47          HB1       ALA  47   8.297   8.005  14.686
  387   2HB   ALA  47          HB2       ALA  47   7.398   9.541  14.648
  388   3HB   ALA  47          HB3       ALA  47   8.813   9.316  13.608
  389    H    MET  48           H        MET  48   7.660  11.472  16.487
  390    HA   MET  48           HA       MET  48   8.235  13.574  14.851
  391   1HB   MET  48          HB2       MET  48   7.034  13.352  17.602
  392   2HB   MET  48          HB3       MET  48   7.312  14.948  16.910
  393   1HG   MET  48          HG2       MET  48   5.800  12.761  15.431
  394   2HG   MET  48          HG3       MET  48   5.034  13.960  16.466
  395   1HE   MET  48          HE1       MET  48   7.204  13.589  12.993
  396   2HE   MET  48          HE2       MET  48   5.530  12.992  13.070
  397   3HE   MET  48          HE3       MET  48   5.916  14.434  12.110
  398    HA   PRO  49           HA       PRO  49  11.381  15.779  17.607
  399   1HB   PRO  49          HB2       PRO  49  12.791  14.374  19.532
  400   2HB   PRO  49          HB3       PRO  49  11.313  15.333  19.848
  401   1HG   PRO  49          HG2       PRO  49  11.537  12.350  19.382
  402   2HG   PRO  49          HG3       PRO  49  10.605  13.207  20.650
  403   1HD   PRO  49          HD2       PRO  49   9.412  12.317  18.393
  404   2HD   PRO  49          HD3       PRO  49   8.950  13.891  19.100
  405    H    GLN  50           H        GLN  50  11.871  12.303  16.886
  406    HA   GLN  50           HA       GLN  50  14.624  12.604  16.110
  407   1HB   GLN  50          HB2       GLN  50  12.594  10.404  15.609
  408   2HB   GLN  50          HB3       GLN  50  14.265  10.360  15.032
  409   1HG   GLN  50          HG2       GLN  50  15.093  10.661  17.356
  410   2HG   GLN  50          HG3       GLN  50  13.434  10.705  17.956
  411   1HE2  GLN  50          HE22      GLN  50  15.497   8.551  15.860
  412   2HE2  GLN  50          HE21      GLN  50  14.963   7.072  16.640
  413    H    VAL  51           H        VAL  51  11.524  12.859  14.332
  414    HA   VAL  51           HA       VAL  51  12.595  13.218  11.718
  415    HB   VAL  51           HB       VAL  51  10.041  14.151  13.069
  416   1HG1  VAL  51          HG11      VAL  51  10.441  15.752  11.257
  417   2HG1  VAL  51          HG12      VAL  51  10.735  14.416  10.121
  418   3HG1  VAL  51          HG13      VAL  51   9.130  14.635  10.852
  419   1HG2  VAL  51          HG21      VAL  51  10.365  12.124  10.840
  420   2HG2  VAL  51          HG22      VAL  51  10.417  11.651  12.544
  421   3HG2  VAL  51          HG23      VAL  51   8.960  12.396  11.877
  422    H    ASN  52           H        ASN  52  12.135  15.542  14.447
  423    HA   ASN  52           HA       ASN  52  12.880  17.846  12.960
  424   1HB   ASN  52          HB2       ASN  52  12.222  18.765  14.851
  425   2HB   ASN  52          HB3       ASN  52  12.243  17.240  15.699
  426   1HD2  ASN  52          HD22      ASN  52  14.060  16.726  17.063
  427   2HD2  ASN  52          HD21      ASN  52  15.222  17.961  17.520
  428    H    GLU  53           H        GLU  53  15.007  15.648  14.944
  429    HA   GLU  53           HA       GLU  53  17.324  17.206  14.167
  430   1HB   GLU  53          HB2       GLU  53  18.670  15.516  15.259
  431   2HB   GLU  53          HB3       GLU  53  17.339  16.057  16.283
  432   1HG   GLU  53          HG2       GLU  53  16.087  14.037  15.846
  433   2HG   GLU  53          HG3       GLU  53  17.293  13.462  14.681
  434    H    PHE  54           H        PHE  54  15.766  14.273  12.868
  435    HA   PHE  54           HA       PHE  54  17.759  13.549  10.974
  436   1HB   PHE  54          HB2       PHE  54  15.907  12.084  11.541
  437   2HB   PHE  54          HB3       PHE  54  14.733  13.272  10.984
  438    HD1  PHE  54           HD1      PHE  54  14.329  13.684   8.602
  439    HD2  PHE  54           HD2      PHE  54  17.185  10.726   9.933
  440    HE1  PHE  54           HE1      PHE  54  14.470  12.775   6.303
  441    HE2  PHE  54           HE2      PHE  54  17.299   9.814   7.637
  442    HZ   PHE  54           HZ       PHE  54  15.938  10.854   5.810
  443    H    ARG  55           H        ARG  55  14.899  15.740  10.663
  444    HA   ARG  55           HA       ARG  55  15.335  16.545   8.004
  445   1HB   ARG  55          HB2       ARG  55  13.283  17.131   9.058
  446   2HB   ARG  55          HB3       ARG  55  14.076  17.883  10.415
  447   1HG   ARG  55          HG2       ARG  55  14.900  19.378   8.082
  448   2HG   ARG  55          HG3       ARG  55  13.198  19.046   7.889
  449   1HD   ARG  55          HD2       ARG  55  13.721  21.211   9.021
  450   2HD   ARG  55          HD3       ARG  55  12.641  20.148   9.940
  451    HE   ARG  55           HE       ARG  55  15.400  19.788  10.704
  452   1HH1  ARG  55          HH11      ARG  55  12.786  22.171  11.191
  453   2HH1  ARG  55          HH12      ARG  55  13.069  22.230  12.924
  454   1HH2  ARG  55          HH21      ARG  55  15.567  19.875  13.042
  455   2HH2  ARG  55          HH22      ARG  55  14.705  21.121  13.891
  456    H    ASP  56           H        ASP  56  16.732  17.944  11.048
  457    HA   ASP  56           HA       ASP  56  18.140  20.029   9.673
  458   1HB   ASP  56          HB2       ASP  56  17.779  20.114  12.079
  459   2HB   ASP  56          HB3       ASP  56  18.761  18.665  12.317
  460    H    LYS  57           H        LYS  57  19.222  16.763  10.732
  461    HA   LYS  57           HA       LYS  57  21.893  17.003   9.832
  462   1HB   LYS  57          HB2       LYS  57  20.080  14.620  10.354
  463   2HB   LYS  57          HB3       LYS  57  21.751  14.417   9.822
  464   1HG   LYS  57          HG2       LYS  57  22.602  15.636  11.748
  465   2HG   LYS  57          HG3       LYS  57  20.974  15.959  12.336
  466   1HD   LYS  57          HD2       LYS  57  22.163  13.162  12.003
  467   2HD   LYS  57          HD3       LYS  57  22.176  14.095  13.507
  468   1HE   LYS  57          HE2       LYS  57  19.685  14.223  13.430
  469   2HE   LYS  57          HE3       LYS  57  19.683  13.170  12.009
  470   1HZ   LYS  57          HZ1       LYS  57  20.604  11.384  13.379
  471   2HZ   LYS  57          HZ2       LYS  57  20.754  12.405  14.673
  472   3HZ   LYS  57          HZ3       LYS  57  19.295  11.983  14.119
  473    H    TYR  58           H        TYR  58  18.978  16.059   7.993
  474    HA   TYR  58           HA       TYR  58  20.763  15.344   5.718
  475   1HB   TYR  58          HB2       TYR  58  18.111  14.156   6.558
  476   2HB   TYR  58          HB3       TYR  58  19.001  13.724   5.105
  477    HD1  TYR  58           HD1      TYR  58  21.451  12.885   5.355
  478    HD2  TYR  58           HD2      TYR  58  18.632  13.024   8.605
  479    HE1  TYR  58           HE1      TYR  58  22.920  11.401   6.689
  480    HE2  TYR  58           HE2      TYR  58  20.104  11.586   9.967
  481    HH   TYR  58           HH       TYR  58  22.205  10.557  10.118
  482    H    GLN  59           H        GLN  59  18.424  17.789   6.440
  483    HA   GLN  59           HA       GLN  59  17.059  17.897   4.048
  484   1HB   GLN  59          HB2       GLN  59  16.829  20.352   4.376
  485   2HB   GLN  59          HB3       GLN  59  16.323  19.333   5.698
  486   1HG   GLN  59          HG2       GLN  59  17.381  21.421   6.437
  487   2HG   GLN  59          HG3       GLN  59  18.181  20.016   7.076
  488   1HE2  GLN  59          HE22      GLN  59  20.364  20.146   7.145
  489   2HE2  GLN  59          HE21      GLN  59  21.340  21.095   6.038
  490    H    ASP  60           H        ASP  60  20.452  18.745   4.429
  491    HA   ASP  60           HA       ASP  60  20.635  20.175   1.905
  492   1HB   ASP  60          HB2       ASP  60  22.102  20.617   3.849
  493   2HB   ASP  60          HB3       ASP  60  22.781  18.994   3.708
  494    H    GLN  61           H        GLN  61  20.352  16.881   2.658
  495    HA   GLN  61           HA       GLN  61  21.999  15.944   0.344
  496   1HB   GLN  61          HB2       GLN  61  21.506  14.590   3.033
  497   2HB   GLN  61          HB3       GLN  61  22.539  14.010   1.725
  498   1HG   GLN  61          HG2       GLN  61  23.988  16.043   2.018
  499   2HG   GLN  61          HG3       GLN  61  23.006  16.510   3.409
  500   1HE2  GLN  61          HE22      GLN  61  23.367  15.448   5.452
  501   2HE2  GLN  61          HE21      GLN  61  24.578  14.209   5.644
  502    H    LEU  62           H        LEU  62  18.921  15.729   2.066
  503    HA   LEU  62           HA       LEU  62  17.728  14.059  -0.032
  504   1HB   LEU  62          HB2       LEU  62  18.407  12.325   1.356
  505   2HB   LEU  62          HB3       LEU  62  18.272  13.254   2.828
  506    HG   LEU  62           HG       LEU  62  15.696  12.701   1.383
  507   1HD1  LEU  62          HD11      LEU  62  16.795  10.531   1.182
  508   2HD1  LEU  62          HD12      LEU  62  17.151  10.550   2.922
  509   3HD1  LEU  62          HD13      LEU  62  15.475  10.473   2.361
  510   1HD2  LEU  62          HD21      LEU  62  16.573  12.562   4.317
  511   2HD2  LEU  62          HD22      LEU  62  15.810  13.960   3.559
  512   3HD2  LEU  62          HD23      LEU  62  14.902  12.456   3.715
  513    H    ASN  63           H        ASN  63  15.526  14.459  -0.182
  514    HA   ASN  63           HA       ASN  63  14.521  16.952   1.010
  515   1HB   ASN  63          HB2       ASN  63  13.055  14.863  -0.659
  516   2HB   ASN  63          HB3       ASN  63  12.551  16.515  -0.349
  517   1HD2  ASN  63          HD22      ASN  63  13.839  14.557  -2.684
  518   2HD2  ASN  63          HD21      ASN  63  14.545  15.813  -3.681
  519    H    VAL  64           H        VAL  64  12.669  17.004   2.469
  520    HA   VAL  64           HA       VAL  64  11.769  14.365   3.527
  521    HB   VAL  64           HB       VAL  64  12.036  16.838   5.263
  522   1HG1  VAL  64          HG11      VAL  64  10.477  14.994   5.994
  523   2HG1  VAL  64          HG12      VAL  64  11.839  13.867   5.955
  524   3HG1  VAL  64          HG13      VAL  64  11.833  15.223   7.103
  525   1HG2  VAL  64          HG21      VAL  64  14.073  14.604   4.963
  526   2HG2  VAL  64          HG22      VAL  64  14.343  16.337   4.675
  527   3HG2  VAL  64          HG23      VAL  64  14.038  15.756   6.312
  528    H    VAL  65           H        VAL  65   9.551  14.209   3.708
  529    HA   VAL  65           HA       VAL  65   7.869  16.558   3.795
  530    HB   VAL  65           HB       VAL  65   8.103  16.394   1.402
  531   1HG1  VAL  65          HG11      VAL  65   8.922  14.120   1.098
  532   2HG1  VAL  65          HG12      VAL  65   7.355  13.461   1.611
  533   3HG1  VAL  65          HG13      VAL  65   7.494  14.379   0.096
  534   1HG2  VAL  65          HG21      VAL  65   5.421  15.119   2.045
  535   2HG2  VAL  65          HG22      VAL  65   5.804  16.847   2.240
  536   3HG2  VAL  65          HG23      VAL  65   5.850  16.105   0.638
  537    H    ALA  66           H        ALA  66   5.642  15.839   4.478
  538    HA   ALA  66           HA       ALA  66   5.549  13.037   5.442
  539   1HB   ALA  66          HB1       ALA  66   6.400  14.689   7.236
  540   2HB   ALA  66          HB2       ALA  66   4.756  15.335   7.246
  541   3HB   ALA  66          HB3       ALA  66   5.035  13.636   7.663
  542    H    VAL  67           H        VAL  67   3.386  12.377   6.105
  543    HA   VAL  67           HA       VAL  67   1.157  13.975   4.950
  544    HB   VAL  67           HB       VAL  67   1.525  10.981   4.581
  545   1HG1  VAL  67          HG11      VAL  67  -0.805  11.704   4.569
  546   2HG1  VAL  67          HG12      VAL  67  -0.442  12.952   3.359
  547   3HG1  VAL  67          HG13      VAL  67  -0.308  11.226   2.943
  548   1HG2  VAL  67          HG21      VAL  67   2.191  13.239   2.666
  549   2HG2  VAL  67          HG22      VAL  67   3.250  11.928   3.213
  550   3HG2  VAL  67          HG23      VAL  67   1.908  11.573   2.128
  551    H    HIS  68           H        HIS  68  -0.357  14.237   6.554
  552    HA   HIS  68           HA       HIS  68  -0.114  12.552   8.967
  553   1HB   HIS  68          HB2       HIS  68  -0.746  15.157   8.768
  554   2HB   HIS  68          HB3       HIS  68  -2.381  14.484   8.652
  555    HD1  HIS  68           HD1      HIS  68   0.700  14.439  10.962
  556    HD2  HIS  68           HD2      HIS  68  -3.403  13.511  10.983
  557    HE1  HIS  68           HE1      HIS  68   0.128  13.847  13.338
  558    H    MET  69           H        MET  69  -1.438  10.830   9.376
  559    HA   MET  69           HA       MET  69  -3.594  10.169   7.428
  560   1HB   MET  69          HB2       MET  69  -1.978   8.377   7.856
  561   2HB   MET  69          HB3       MET  69  -2.277   8.486   9.596
  562   1HG   MET  69          HG2       MET  69  -4.690   7.930   9.169
  563   2HG   MET  69          HG3       MET  69  -4.313   7.749   7.456
  564   1HE   MET  69          HE1       MET  69  -5.879   5.579   9.096
  565   2HE   MET  69          HE2       MET  69  -5.435   5.440   7.381
  566   3HE   MET  69          HE3       MET  69  -5.092   4.101   8.497
  567    HA   PRO  70           HA       PRO  70  -6.175  11.616  10.961
  568   1HB   PRO  70          HB2       PRO  70  -8.553  11.763   9.635
  569   2HB   PRO  70          HB3       PRO  70  -7.334  13.076   9.602
  570   1HG   PRO  70          HG2       PRO  70  -7.834  10.932   7.543
  571   2HG   PRO  70          HG3       PRO  70  -7.545  12.676   7.268
  572   1HD   PRO  70          HD2       PRO  70  -5.594  10.745   7.030
  573   2HD   PRO  70          HD3       PRO  70  -5.230  12.421   7.541
  574    H    ARG  71           H        ARG  71  -6.739  10.000  12.281
  575    HA   ARG  71           HA       ARG  71  -7.706   7.377  11.234
  576   1HB   ARG  71          HB2       ARG  71  -5.217   7.405  11.491
  577   2HB   ARG  71          HB3       ARG  71  -5.409   7.873  13.185
  578   1HG   ARG  71          HG2       ARG  71  -6.603   5.734  13.634
  579   2HG   ARG  71          HG3       ARG  71  -6.416   5.282  11.927
  580   1HD   ARG  71          HD2       ARG  71  -3.964   5.306  12.195
  581   2HD   ARG  71          HD3       ARG  71  -4.145   5.830  13.879
  582    HE   ARG  71           HE       ARG  71  -5.344   3.278  12.883
  583   1HH1  ARG  71          HH11      ARG  71  -3.079   4.825  15.164
  584   2HH1  ARG  71          HH12      ARG  71  -2.896   3.409  16.135
  585   1HH2  ARG  71          HH21      ARG  71  -5.104   1.421  14.195
  586   2HH2  ARG  71          HH22      ARG  71  -4.058   1.441  15.567
  587    H    SER  72           H        SER  72  -7.481   9.722  13.957
  588    HA   SER  72           HA       SER  72  -9.698   8.302  15.337
  589   1HB   SER  72          HB2       SER  72  -7.070   9.097  16.647
  590   2HB   SER  72          HB3       SER  72  -8.441   8.304  17.429
  591    HG   SER  72           HG       SER  72  -6.772   6.814  16.895
  592    H    GLU  73           H        GLU  73 -10.598   9.657  17.120
  593    HA   GLU  73           HA       GLU  73 -11.294  12.196  16.180
  594   1HB   GLU  73          HB2       GLU  73 -11.458  10.967  18.955
  595   2HB   GLU  73          HB3       GLU  73 -12.178  12.528  18.544
  596   1HG   GLU  73          HG2       GLU  73 -13.582  11.490  16.821
  597   2HG   GLU  73          HG3       GLU  73 -12.855   9.912  17.135
  598    H    ASP  74           H        ASP  74  -8.471  11.334  18.117
  599    HA   ASP  74           HA       ASP  74  -8.067  14.064  19.048
  600   1HB   ASP  74          HB2       ASP  74  -7.467  12.011  20.364
  601   2HB   ASP  74          HB3       ASP  74  -6.134  11.747  19.237
  602    H    ASP  75           H        ASP  75  -7.422  12.521  16.087
  603    HA   ASP  75           HA       ASP  75  -5.426  14.603  15.342
  604   1HB   ASP  75          HB2       ASP  75  -4.288  13.063  13.895
  605   2HB   ASP  75          HB3       ASP  75  -4.275  12.465  15.546
  606    H    LEU  76           H        LEU  76  -8.454  13.365  14.847
  607    HA   LEU  76           HA       LEU  76  -9.150  13.656  12.219
  608   1HB   LEU  76          HB2       LEU  76 -10.566  12.798  13.985
  609   2HB   LEU  76          HB3       LEU  76 -10.532  14.342  14.830
  610    HG   LEU  76           HG       LEU  76 -11.916  15.363  13.048
  611   1HD1  LEU  76          HD11      LEU  76 -11.295  13.835  11.152
  612   2HD1  LEU  76          HD12      LEU  76 -12.156  12.514  11.961
  613   3HD1  LEU  76          HD13      LEU  76 -13.043  13.946  11.392
  614   1HD2  LEU  76          HD21      LEU  76 -13.068  12.840  14.303
  615   2HD2  LEU  76          HD22      LEU  76 -12.903  14.422  15.093
  616   3HD2  LEU  76          HD23      LEU  76 -13.991  14.241  13.709
  617    H    ASP  77           H        ASP  77  -8.092  16.295  14.289
  618    HA   ASP  77           HA       ASP  77  -9.492  18.293  12.564
  619   1HB   ASP  77          HB2       ASP  77 -10.366  18.211  14.825
  620   2HB   ASP  77          HB3       ASP  77  -8.749  18.431  15.495
  621    HA   PRO  78           HA       PRO  78  -5.301  19.231  11.506
  622   1HB   PRO  78          HB2       PRO  78  -5.600  21.438   9.913
  623   2HB   PRO  78          HB3       PRO  78  -6.072  19.781   9.418
  624   1HG   PRO  78          HG2       PRO  78  -7.841  21.962  10.566
  625   2HG   PRO  78          HG3       PRO  78  -8.141  20.935   9.126
  626   1HD   PRO  78          HD2       PRO  78  -9.209  20.347  11.563
  627   2HD   PRO  78          HD3       PRO  78  -8.647  19.053  10.465
  628    H    GLY  79           H        GLY  79  -7.226  21.541  13.360
  629   1HA   GLY  79          HA2       GLY  79  -5.136  23.487  13.825
  630   2HA   GLY  79          HA3       GLY  79  -6.581  23.188  14.813
  631    H    LYS  80           H        LYS  80  -6.210  20.425  15.392
  632    HA   LYS  80           HA       LYS  80  -4.293  20.500  17.532
  633   1HB   LYS  80          HB2       LYS  80  -5.529  18.046  16.202
  634   2HB   LYS  80          HB3       LYS  80  -4.707  18.114  17.764
  635   1HG   LYS  80          HG2       LYS  80  -6.472  19.684  18.598
  636   2HG   LYS  80          HG3       LYS  80  -7.344  19.471  17.069
  637   1HD   LYS  80          HD2       LYS  80  -7.464  17.004  17.509
  638   2HD   LYS  80          HD3       LYS  80  -6.614  17.271  19.047
  639   1HE   LYS  80          HE2       LYS  80  -8.557  18.987  19.519
  640   2HE   LYS  80          HE3       LYS  80  -9.412  18.130  18.232
  641   1HZ   LYS  80          HZ1       LYS  80  -9.173  16.088  19.531
  642   2HZ   LYS  80          HZ2       LYS  80  -8.338  16.879  20.704
  643   3HZ   LYS  80          HZ3       LYS  80  -9.908  17.234  20.433
  644    H    ILE  81           H        ILE  81  -4.176  19.078  14.218
  645    HA   ILE  81           HA       ILE  81  -1.588  17.950  14.448
  646    HB   ILE  81           HB       ILE  81  -2.905  19.099  11.951
  647   1HG1  ILE  81          HG12      ILE  81  -2.862  16.219  12.964
  648   2HG1  ILE  81          HG13      ILE  81  -4.241  17.292  13.124
  649   1HG2  ILE  81          HG21      ILE  81  -0.445  18.771  11.682
  650   2HG2  ILE  81          HG22      ILE  81  -0.623  17.084  12.206
  651   3HG2  ILE  81          HG23      ILE  81  -1.352  17.650  10.689
  652   1HD1  ILE  81          HD11      ILE  81  -4.401  17.487  10.641
  653   2HD1  ILE  81          HD12      ILE  81  -3.088  16.312  10.486
  654   3HD1  ILE  81          HD13      ILE  81  -4.610  15.836  11.239
  655    H    LYS  82           H        LYS  82  -2.574  21.246  13.328
  656    HA   LYS  82           HA       LYS  82  -0.034  22.252  12.760
  657   1HB   LYS  82          HB2       LYS  82  -2.420  23.230  12.389
  658   2HB   LYS  82          HB3       LYS  82  -2.299  23.874  14.011
  659   1HG   LYS  82          HG2       LYS  82  -0.709  24.616  11.545
  660   2HG   LYS  82          HG3       LYS  82  -1.839  25.594  12.469
  661   1HD   LYS  82          HD2       LYS  82  -0.114  25.466  14.406
  662   2HD   LYS  82          HD3       LYS  82   1.002  24.821  13.176
  663   1HE   LYS  82          HE2       LYS  82   0.131  26.942  11.790
  664   2HE   LYS  82          HE3       LYS  82  -0.281  27.552  13.393
  665   1HZ   LYS  82          HZ1       LYS  82   2.083  27.218  14.007
  666   2HZ   LYS  82          HZ2       LYS  82   2.423  26.754  12.467
  667   3HZ   LYS  82          HZ3       LYS  82   1.909  28.270  12.770
  668    H    GLU  83           H        GLU  83  -1.848  22.496  15.871
  669    HA   GLU  83           HA       GLU  83   0.169  24.007  17.148
  670   1HB   GLU  83          HB2       GLU  83  -2.263  23.839  17.740
  671   2HB   GLU  83          HB3       GLU  83  -1.955  22.245  18.445
  672   1HG   GLU  83          HG2       GLU  83  -0.458  23.236  20.112
  673   2HG   GLU  83          HG3       GLU  83  -0.513  24.800  19.289
  674    H    THR  84           H        THR  84  -0.444  20.448  17.151
  675    HA   THR  84           HA       THR  84   1.696  19.842  18.956
  676    HB   THR  84           HB       THR  84   0.217  18.183  16.877
  677    HG1  THR  84           HG1      THR  84  -1.296  18.306  18.313
  678   1HG2  THR  84          HG21      THR  84   2.178  16.931  17.405
  679   2HG2  THR  84          HG22      THR  84   2.078  17.337  19.134
  680   3HG2  THR  84          HG23      THR  84   0.889  16.242  18.397
  681    H    ALA  85           H        ALA  85   1.554  20.051  15.340
  682    HA   ALA  85           HA       ALA  85   4.157  19.092  14.817
  683   1HB   ALA  85          HB1       ALA  85   2.497  19.433  13.041
  684   2HB   ALA  85          HB2       ALA  85   2.483  21.184  13.342
  685   3HB   ALA  85          HB3       ALA  85   3.936  20.415  12.698
  686    H    ALA  86           H        ALA  86   3.002  22.413  15.566
  687    HA   ALA  86           HA       ALA  86   5.428  23.759  15.150
  688   1HB   ALA  86          HB1       ALA  86   3.231  24.863  15.463
  689   2HB   ALA  86          HB2       ALA  86   3.242  24.400  17.181
  690   3HB   ALA  86          HB3       ALA  86   4.461  25.527  16.558
  691    H    GLU  87           H        GLU  87   4.280  22.014  18.069
  692    HA   GLU  87           HA       GLU  87   6.474  22.885  19.736
  693   1HB   GLU  87          HB2       GLU  87   4.422  20.645  19.963
  694   2HB   GLU  87          HB3       GLU  87   5.635  20.953  21.201
  695   1HG   GLU  87          HG2       GLU  87   3.614  23.040  20.268
  696   2HG   GLU  87          HG3       GLU  87   3.379  21.974  21.647
  697    H    HIS  88           H        HIS  88   6.021  20.174  17.496
  698    HA   HIS  88           HA       HIS  88   8.340  18.710  18.488
  699   1HB   HIS  88          HB2       HIS  88   6.508  18.328  16.090
  700   2HB   HIS  88          HB3       HIS  88   7.821  17.237  16.516
  701    HD1  HIS  88           HD1      HIS  88   7.289  17.029  19.701
  702    HD2  HIS  88           HD2      HIS  88   4.513  16.658  16.557
  703    HE1  HIS  88           HE1      HIS  88   5.414  15.553  20.572
  704    H    ASP  89           H        ASP  89   8.179  21.488  16.673
  705    HA   ASP  89           HA       ASP  89   9.467  22.586  15.225
  706   1HB   ASP  89          HB2       ASP  89  11.105  22.238  17.094
  707   2HB   ASP  89          HB3       ASP  89  11.793  20.891  16.188
  708    H    ILE  90           H        ILE  90   8.106  20.203  14.136
  709    HA   ILE  90           HA       ILE  90   9.921  19.272  12.012
  710    HB   ILE  90           HB       ILE  90   8.006  18.113  11.129
  711   1HG1  ILE  90          HG12      ILE  90   6.367  19.537  13.228
  712   2HG1  ILE  90          HG13      ILE  90   6.163  19.553  11.478
  713   1HG2  ILE  90          HG21      ILE  90   9.435  17.198  12.998
  714   2HG2  ILE  90          HG22      ILE  90   8.156  17.665  14.129
  715   3HG2  ILE  90          HG23      ILE  90   7.838  16.463  12.865
  716   1HD1  ILE  90          HD11      ILE  90   5.744  16.982  11.730
  717   2HD1  ILE  90          HD12      ILE  90   5.458  17.411  13.442
  718   3HD1  ILE  90          HD13      ILE  90   4.472  18.132  12.172
  719    H    THR  91           H        THR  91  10.409  20.518  10.274
  720    HA   THR  91           HA       THR  91   8.544  22.720   9.539
  721    HB   THR  91           HB       THR  91  10.493  24.113   9.043
  722    HG1  THR  91           HG1      THR  91  12.361  23.213   9.042
  723   1HG2  THR  91          HG21      THR  91   9.320  24.293  11.236
  724   2HG2  THR  91          HG22      THR  91  10.479  23.140  11.932
  725   3HG2  THR  91          HG23      THR  91  11.040  24.711  11.326
  726    H    GLN  92           H        GLN  92   9.692  19.838   8.405
  727    HA   GLN  92           HA       GLN  92  10.155  20.472   5.635
  728   1HB   GLN  92          HB2       GLN  92   9.806  18.164   5.229
  729   2HB   GLN  92          HB3       GLN  92  10.751  18.277   6.693
  730   1HG   GLN  92          HG2       GLN  92   7.726  17.801   6.703
  731   2HG   GLN  92          HG3       GLN  92   8.881  16.515   6.514
  732   1HE2  GLN  92          HE22      GLN  92   7.736  15.681   8.504
  733   2HE2  GLN  92          HE21      GLN  92   8.322  16.249  10.039
  734    HA   PRO  93           HA       PRO  93   5.868  21.250   4.430
  735   1HB   PRO  93          HB2       PRO  93   5.734  19.686   2.071
  736   2HB   PRO  93          HB3       PRO  93   6.186  21.407   2.196
  737   1HG   PRO  93          HG2       PRO  93   7.951  19.016   1.895
  738   2HG   PRO  93          HG3       PRO  93   8.223  20.699   1.354
  739   1HD   PRO  93          HD2       PRO  93   9.440  19.564   3.550
  740   2HD   PRO  93          HD3       PRO  93   9.133  21.311   3.393
  741    H    ILE  94           H        ILE  94   3.923  20.270   4.904
  742    HA   ILE  94           HA       ILE  94   3.747  17.324   5.097
  743    HB   ILE  94           HB       ILE  94   2.864  19.248   7.281
  744   1HG1  ILE  94          HG12      ILE  94   5.304  17.467   7.177
  745   2HG1  ILE  94          HG13      ILE  94   5.190  19.203   7.427
  746   1HG2  ILE  94          HG21      ILE  94   1.348  17.363   7.148
  747   2HG2  ILE  94          HG22      ILE  94   2.693  16.214   7.152
  748   3HG2  ILE  94          HG23      ILE  94   2.312  17.202   8.588
  749   1HD1  ILE  94          HD11      ILE  94   4.097  18.816   9.629
  750   2HD1  ILE  94          HD12      ILE  94   4.445  17.074   9.428
  751   3HD1  ILE  94          HD13      ILE  94   5.772  18.239   9.490
  752    H    PHE  95           H        PHE  95   1.595  16.628   4.577
  753    HA   PHE  95           HA       PHE  95  -0.470  18.729   4.405
  754   1HB   PHE  95          HB2       PHE  95  -1.287  17.823   2.248
  755   2HB   PHE  95          HB3       PHE  95   0.211  18.715   2.174
  756    HD1  PHE  95           HD1      PHE  95  -1.183  15.233   2.143
  757    HD2  PHE  95           HD2      PHE  95   2.186  17.775   1.232
  758    HE1  PHE  95           HE1      PHE  95  -0.125  13.397   0.880
  759    HE2  PHE  95           HE2      PHE  95   3.231  15.927  -0.052
  760    HZ   PHE  95           HZ       PHE  95   2.075  13.728  -0.235
  761    H    VAL  96           H        VAL  96  -2.613  17.929   4.306
  762    HA   VAL  96           HA       VAL  96  -3.065  15.276   5.563
  763    HB   VAL  96           HB       VAL  96  -4.577  17.843   6.233
  764   1HG1  VAL  96          HG11      VAL  96  -5.738  15.702   6.687
  765   2HG1  VAL  96          HG12      VAL  96  -4.382  15.178   7.700
  766   3HG1  VAL  96          HG13      VAL  96  -5.370  16.574   8.180
  767   1HG2  VAL  96          HG21      VAL  96  -2.235  16.723   7.810
  768   2HG2  VAL  96          HG22      VAL  96  -2.345  18.319   7.044
  769   3HG2  VAL  96          HG23      VAL  96  -3.385  17.937   8.411
  770    H    ASP  97           H        ASP  97  -4.873  14.252   4.525
  771    HA   ASP  97           HA       ASP  97  -6.127  15.809   2.307
  772   1HB   ASP  97          HB2       ASP  97  -4.119  14.603   1.499
  773   2HB   ASP  97          HB3       ASP  97  -4.810  13.089   2.076
  774    H    SER  98           H        SER  98  -8.261  15.680   2.472
  775    HA   SER  98           HA       SER  98  -9.604  13.667   4.063
  776   1HB   SER  98          HB2       SER  98 -11.600  15.032   3.003
  777   2HB   SER  98          HB3       SER  98 -10.576  15.753   4.249
  778    HG   SER  98           HG       SER  98 -10.919  17.163   2.443
  779    H    ASP  99           H        ASP  99  -8.707  14.051   0.657
  780    HA   ASP  99           HA       ASP  99 -10.759  12.170  -0.305
  781   1HB   ASP  99          HB2       ASP  99  -9.962  14.053  -1.712
  782   2HB   ASP  99          HB3       ASP  99  -8.337  13.357  -1.706
  783    H    HIS 100           H        HIS 100  -7.651  12.029   1.122
  784    HA   HIS 100           HA       HIS 100  -6.036  10.507   1.385
  785   1HB   HIS 100          HB2       HIS 100  -8.206   8.404   1.110
  786   2HB   HIS 100          HB3       HIS 100  -6.682   8.298   1.973
  787    HD1  HIS 100           HD1      HIS 100 -10.153   8.660   2.786
  788    HD2  HIS 100           HD2      HIS 100  -6.509  10.303   4.113
  789    HE1  HIS 100           HE1      HIS 100 -10.562   9.485   5.160
  790    H    ALA 101           H        ALA 101  -5.810  11.447  -1.085
  791    HA   ALA 101           HA       ALA 101  -6.095   9.698  -3.271
  792   1HB   ALA 101          HB1       ALA 101  -5.625  12.133  -3.445
  793   2HB   ALA 101          HB2       ALA 101  -3.973  11.851  -2.843
  794   3HB   ALA 101          HB3       ALA 101  -4.488  11.160  -4.396
  795    H    LEU 102           H        LEU 102  -3.370   9.982  -0.914
  796    HA   LEU 102           HA       LEU 102  -1.698   8.130  -2.376
  797   1HB   LEU 102          HB2       LEU 102  -1.580   8.965   0.556
  798   2HB   LEU 102          HB3       LEU 102  -0.473   7.845  -0.224
  799    HG   LEU 102           HG       LEU 102  -0.047   9.741  -1.974
  800   1HD1  LEU 102          HD11      LEU 102  -1.774  11.341  -1.278
  801   2HD1  LEU 102          HD12      LEU 102  -1.142  11.351   0.386
  802   3HD1  LEU 102          HD13      LEU 102  -0.190  12.020  -0.964
  803   1HD2  LEU 102          HD21      LEU 102   0.980   9.879   0.881
  804   2HD2  LEU 102          HD22      LEU 102   1.662   8.929  -0.461
  805   3HD2  LEU 102          HD23      LEU 102   1.731  10.692  -0.512
  806    H    THR 103           H        THR 103  -4.285   7.675   0.081
  807    HA   THR 103           HA       THR 103  -3.719   4.918   0.491
  808    HB   THR 103           HB       THR 103  -6.365   6.369   0.840
  809    HG1  THR 103           HG1      THR 103  -5.478   6.761   2.972
  810   1HG2  THR 103          HG21      THR 103  -6.667   4.000   1.215
  811   2HG2  THR 103          HG22      THR 103  -5.185   3.905   2.187
  812   3HG2  THR 103          HG23      THR 103  -6.604   4.790   2.791
  813    H    ASP 104           H        ASP 104  -5.133   6.540  -2.292
  814    HA   ASP 104           HA       ASP 104  -6.481   4.139  -3.276
  815   1HB   ASP 104          HB2       ASP 104  -7.130   6.392  -4.036
  816   2HB   ASP 104          HB3       ASP 104  -5.536   6.607  -4.769
  817    H    ALA 105           H        ALA 105  -3.178   5.378  -3.275
  818    HA   ALA 105           HA       ALA 105  -2.363   3.515  -5.449
  819   1HB   ALA 105          HB1       ALA 105  -1.876   5.913  -5.740
  820   2HB   ALA 105          HB2       ALA 105  -0.939   5.920  -4.228
  821   3HB   ALA 105          HB3       ALA 105  -0.392   4.951  -5.614
  822    H    PHE 106           H        PHE 106  -1.250   4.611  -2.197
  823    HA   PHE 106           HA       PHE 106   0.683   2.441  -1.913
  824   1HB   PHE 106          HB2       PHE 106  -0.363   4.616  -0.041
  825   2HB   PHE 106          HB3       PHE 106   0.777   3.381   0.427
  826    HD1  PHE 106           HD1      PHE 106   2.282   5.040   1.251
  827    HD2  PHE 106           HD2      PHE 106   1.322   4.835  -2.950
  828    HE1  PHE 106           HE1      PHE 106   4.213   6.490   0.747
  829    HE2  PHE 106           HE2      PHE 106   3.329   6.158  -3.430
  830    HZ   PHE 106           HZ       PHE 106   4.721   7.097  -1.614
  831    H    GLU 107           H        GLU 107  -2.688   3.008  -1.124
  832    HA   GLU 107           HA       GLU 107  -4.202   2.072   0.213
  833   1HB   GLU 107          HB2       GLU 107  -3.442   0.140  -1.388
  834   2HB   GLU 107          HB3       GLU 107  -2.899  -0.623   0.109
  835   1HG   GLU 107          HG2       GLU 107  -5.213  -0.317   1.044
  836   2HG   GLU 107          HG3       GLU 107  -5.700   0.480  -0.451
  837    H    ASN 108           H        ASN 108  -2.437   3.532   1.501
  838    HA   ASN 108           HA       ASN 108  -1.208   2.860   3.821
  839   1HB   ASN 108          HB2       ASN 108  -1.305   5.135   3.308
  840   2HB   ASN 108          HB3       ASN 108  -3.040   5.109   3.068
  841   1HD2  ASN 108          HD22      ASN 108  -0.721   4.461   5.844
  842   2HD2  ASN 108          HD21      ASN 108  -1.740   5.285   6.998
  843    H    GLU 109           H        GLU 109  -1.652   1.636   5.529
  844    HA   GLU 109           HA       GLU 109  -4.103   2.042   7.019
  845   1HB   GLU 109          HB2       GLU 109  -4.570   0.230   5.219
  846   2HB   GLU 109          HB3       GLU 109  -3.491  -0.817   6.135
  847   1HG   GLU 109          HG2       GLU 109  -4.986  -0.677   8.087
  848   2HG   GLU 109          HG3       GLU 109  -5.910   0.623   7.332
  849    H    TYR 110           H        TYR 110  -1.440   2.760   7.522
  850    HA   TYR 110           HA       TYR 110  -0.577   1.136   9.812
  851   1HB   TYR 110          HB2       TYR 110   1.771   1.058   8.718
  852   2HB   TYR 110          HB3       TYR 110   0.579  -0.114   8.195
  853    HD1  TYR 110           HD1      TYR 110   2.059   3.202   7.237
  854    HD2  TYR 110           HD2      TYR 110   0.014  -0.346   5.894
  855    HE1  TYR 110           HE1      TYR 110   2.292   3.973   4.906
  856    HE2  TYR 110           HE2      TYR 110   0.204   0.439   3.547
  857    HH   TYR 110           HH       TYR 110   1.822   3.527   2.688
  858    H    VAL 111           H        VAL 111   0.758   2.360  11.204
  859    HA   VAL 111           HA       VAL 111   2.061   4.756  10.404
  860    HB   VAL 111           HB       VAL 111   0.611   5.863  12.527
  861   1HG1  VAL 111          HG11      VAL 111   1.516   7.038  10.609
  862   2HG1  VAL 111          HG12      VAL 111   0.245   6.392   9.562
  863   3HG1  VAL 111          HG13      VAL 111  -0.168   7.482  10.893
  864   1HG2  VAL 111          HG21      VAL 111  -1.500   4.825  10.612
  865   2HG2  VAL 111          HG22      VAL 111  -1.238   4.193  12.254
  866   3HG2  VAL 111          HG23      VAL 111  -1.714   5.883  12.007
  867    HA   PRO 112           HA       PRO 112   3.502   6.214  11.346
  868   1HB   PRO 112          HB2       PRO 112   6.130   6.226  12.097
  869   2HB   PRO 112          HB3       PRO 112   4.862   7.069  13.011
  870   1HG   PRO 112          HG2       PRO 112   6.069   4.347  13.563
  871   2HG   PRO 112          HG3       PRO 112   5.722   5.668  14.721
  872   1HD   PRO 112          HD2       PRO 112   4.056   3.511  14.357
  873   2HD   PRO 112          HD3       PRO 112   3.429   5.133  14.762
  874    H    ALA 113           H        ALA 113   4.854   6.083   9.423
  875    HA   ALA 113           HA       ALA 113   6.417   3.684   8.932
  876   1HB   ALA 113          HB1       ALA 113   4.152   2.916   8.230
  877   2HB   ALA 113          HB2       ALA 113   4.042   4.326   7.133
  878   3HB   ALA 113          HB3       ALA 113   5.257   3.064   6.852
  879    H    TYR 114           H        TYR 114   7.590   3.819   6.884
  880    HA   TYR 114           HA       TYR 114   8.213   6.622   6.117
  881   1HB   TYR 114          HB2       TYR 114  10.396   4.707   6.861
  882   2HB   TYR 114          HB3       TYR 114  10.364   6.451   6.952
  883    HD1  TYR 114           HD1      TYR 114  10.133   3.388   8.784
  884    HD2  TYR 114           HD2      TYR 114   8.887   7.507   8.870
  885    HE1  TYR 114           HE1      TYR 114   9.633   3.173  11.189
  886    HE2  TYR 114           HE2      TYR 114   8.306   7.290  11.266
  887    HH   TYR 114           HH       TYR 114   8.866   4.298  13.147
  888    H    TYR 115           H        TYR 115   8.924   6.761   4.018
  889    HA   TYR 115           HA       TYR 115   9.465   4.289   2.442
  890   1HB   TYR 115          HB2       TYR 115   7.464   6.532   1.939
  891   2HB   TYR 115          HB3       TYR 115   8.107   5.531   0.654
  892    HD1  TYR 115           HD1      TYR 115   7.080   3.530   0.053
  893    HD2  TYR 115           HD2      TYR 115   6.193   5.253   3.898
  894    HE1  TYR 115           HE1      TYR 115   5.468   1.724   0.478
  895    HE2  TYR 115           HE2      TYR 115   4.551   3.459   4.319
  896    HH   TYR 115           HH       TYR 115   3.601   1.447   3.507
  897    H    VAL 116           H        VAL 116  11.375   4.554   1.378
  898    HA   VAL 116           HA       VAL 116  12.541   7.308   1.290
  899    HB   VAL 116           HB       VAL 116  14.066   4.677   1.452
  900   1HG1  VAL 116          HG11      VAL 116  15.317   6.679   0.643
  901   2HG1  VAL 116          HG12      VAL 116  14.858   7.557   2.113
  902   3HG1  VAL 116          HG13      VAL 116  15.911   6.127   2.218
  903   1HG2  VAL 116          HG21      VAL 116  13.229   6.473   3.767
  904   2HG2  VAL 116          HG22      VAL 116  12.763   4.772   3.524
  905   3HG2  VAL 116          HG23      VAL 116  14.443   5.179   3.867
  906    H    PHE 117           H        PHE 117  13.284   8.017  -0.724
  907    HA   PHE 117           HA       PHE 117  12.947   6.133  -3.026
  908   1HB   PHE 117          HB2       PHE 117  12.067   9.033  -2.843
  909   2HB   PHE 117          HB3       PHE 117  11.990   8.032  -4.273
  910    HD1  PHE 117           HD1      PHE 117  10.600   8.397  -0.799
  911    HD2  PHE 117           HD2      PHE 117  10.070   6.702  -4.709
  912    HE1  PHE 117           HE1      PHE 117   8.304   7.714  -0.203
  913    HE2  PHE 117           HE2      PHE 117   7.764   6.049  -4.135
  914    HZ   PHE 117           HZ       PHE 117   6.888   6.520  -1.857
  915    H    ASP 118           H        ASP 118  14.310   6.465  -4.745
  916    HA   ASP 118           HA       ASP 118  16.870   7.858  -4.349
  917   1HB   ASP 118          HB2       ASP 118  17.192   5.889  -5.473
  918   2HB   ASP 118          HB3       ASP 118  15.632   5.941  -6.273
  919    H    LYS 119           H        LYS 119  17.621   9.386  -6.203
  920    HA   LYS 119           HA       LYS 119  15.888  11.624  -6.058
  921   1HB   LYS 119          HB2       LYS 119  17.528  12.830  -7.354
  922   2HB   LYS 119          HB3       LYS 119  18.317  11.872  -6.119
  923   1HG   LYS 119          HG2       LYS 119  19.516  10.692  -7.597
  924   2HG   LYS 119          HG3       LYS 119  18.159  10.374  -8.658
  925   1HD   LYS 119          HD2       LYS 119  19.572  13.078  -8.606
  926   2HD   LYS 119          HD3       LYS 119  20.161  11.714  -9.567
  927   1HE   LYS 119          HE2       LYS 119  17.980  11.536 -10.719
  928   2HE   LYS 119          HE3       LYS 119  17.366  12.926  -9.811
  929   1HZ   LYS 119          HZ1       LYS 119  18.968  14.325 -10.909
  930   2HZ   LYS 119          HZ2       LYS 119  19.720  13.044 -11.625
  931   3HZ   LYS 119          HZ3       LYS 119  18.209  13.469 -12.065
  932    H    THR 120           H        THR 120  15.642   9.080  -8.460
  933    HA   THR 120           HA       THR 120  14.235  10.971 -10.270
  934    HB   THR 120           HB       THR 120  14.009   9.190 -11.797
  935    HG1  THR 120           HG1      THR 120  14.363   7.111 -11.348
  936   1HG2  THR 120          HG21      THR 120  16.269  10.238 -11.697
  937   2HG2  THR 120          HG22      THR 120  16.815   8.931 -10.620
  938   3HG2  THR 120          HG23      THR 120  16.310   8.568 -12.281
  939    H    GLY 121           H        GLY 121  13.553   9.343  -7.418
  940   1HA   GLY 121          HA2       GLY 121  11.585   9.483  -6.280
  941   2HA   GLY 121          HA3       GLY 121  10.671   9.741  -7.774
  942    H    GLN 122           H        GLN 122  12.857   7.026  -7.786
  943    HA   GLN 122           HA       GLN 122  10.581   5.171  -7.697
  944   1HB   GLN 122          HB2       GLN 122  12.171   3.485  -8.404
  945   2HB   GLN 122          HB3       GLN 122  12.255   4.908  -9.434
  946   1HG   GLN 122          HG2       GLN 122  14.248   5.656  -7.999
  947   2HG   GLN 122          HG3       GLN 122  14.253   4.026  -7.322
  948   1HE2  GLN 122          HE22      GLN 122  15.837   5.889  -9.470
  949   2HE2  GLN 122          HE21      GLN 122  16.274   4.694 -10.690
  950    H    LEU 123           H        LEU 123  10.011   4.027  -5.951
  951    HA   LEU 123           HA       LEU 123  10.968   4.574  -3.346
  952   1HB   LEU 123          HB2       LEU 123   8.699   3.849  -3.914
  953   2HB   LEU 123          HB3       LEU 123   9.291   2.314  -4.522
  954    HG   LEU 123           HG       LEU 123   9.912   1.593  -2.271
  955   1HD1  LEU 123          HD11      LEU 123  10.557   3.657  -1.177
  956   2HD1  LEU 123          HD12      LEU 123   8.933   4.334  -1.370
  957   3HD1  LEU 123          HD13      LEU 123   9.225   2.953  -0.283
  958   1HD2  LEU 123          HD21      LEU 123   7.100   2.773  -2.315
  959   2HD2  LEU 123          HD22      LEU 123   7.583   1.265  -3.109
  960   3HD2  LEU 123          HD23      LEU 123   7.657   1.389  -1.346
  961    H    ARG 124           H        ARG 124  12.843   3.872  -2.356
  962    HA   ARG 124           HA       ARG 124  14.234   1.484  -3.483
  963   1HB   ARG 124          HB2       ARG 124  15.210   3.656  -1.576
  964   2HB   ARG 124          HB3       ARG 124  16.186   2.321  -2.184
  965   1HG   ARG 124          HG2       ARG 124  14.944   4.526  -3.863
  966   2HG   ARG 124          HG3       ARG 124  16.633   4.437  -3.386
  967   1HD   ARG 124          HD2       ARG 124  15.215   2.393  -5.157
  968   2HD   ARG 124          HD3       ARG 124  16.188   3.737  -5.748
  969    HE   ARG 124           HE       ARG 124  17.882   2.413  -3.994
  970   1HH1  ARG 124          HH11      ARG 124  16.185   1.520  -7.016
  971   2HH1  ARG 124          HH12      ARG 124  17.421   0.419  -7.509
  972   1HH2  ARG 124          HH21      ARG 124  19.422   1.038  -4.622
  973   2HH2  ARG 124          HH22      ARG 124  19.341   0.103  -6.107
  974    H    HIS 125           H        HIS 125  12.721   2.639  -0.434
  975    HA   HIS 125           HA       HIS 125  12.628  -0.126   0.487
  976   1HB   HIS 125          HB2       HIS 125  14.926   0.718   1.197
  977   2HB   HIS 125          HB3       HIS 125  14.111   1.940   2.170
  978    HD1  HIS 125           HD1      HIS 125  14.356  -1.943   1.926
  979    HD2  HIS 125           HD2      HIS 125  13.390   1.162   4.609
  980    HE1  HIS 125           HE1      HIS 125  14.040  -3.031   4.206
  981    H    PHE 126           H        PHE 126  11.283  -0.335   2.401
  982    HA   PHE 126           HA       PHE 126   9.759   2.003   3.324
  983   1HB   PHE 126          HB2       PHE 126   8.086   1.376   1.907
  984   2HB   PHE 126          HB3       PHE 126   8.695  -0.251   1.694
  985    HD1  PHE 126           HD1      PHE 126   7.072   1.837   4.400
  986    HD2  PHE 126           HD2      PHE 126   7.477  -2.046   2.564
  987    HE1  PHE 126           HE1      PHE 126   5.375   0.919   5.953
  988    HE2  PHE 126           HE2      PHE 126   5.791  -2.960   4.134
  989    HZ   PHE 126           HZ       PHE 126   4.740  -1.483   5.840
  990    H    GLN 127           H        GLN 127   9.224   1.797   5.496
  991    HA   GLN 127           HA       GLN 127   9.400  -0.781   6.851
  992   1HB   GLN 127          HB2       GLN 127  11.750   0.181   6.859
  993   2HB   GLN 127          HB3       GLN 127  11.142   1.588   7.712
  994   1HG   GLN 127          HG2       GLN 127  12.258  -0.039   9.199
  995   2HG   GLN 127          HG3       GLN 127  10.588   0.222   9.665
  996   1HE2  GLN 127          HE22      GLN 127  12.396  -1.982   7.357
  997   2HE2  GLN 127          HE21      GLN 127  11.556  -3.431   7.863
  998    H    ALA 128           H        ALA 128   8.435  -0.577   9.104
  999    HA   ALA 128           HA       ALA 128   6.974   1.902   9.673
 1000   1HB   ALA 128          HB1       ALA 128   5.410   0.644   8.212
 1001   2HB   ALA 128          HB2       ALA 128   5.571  -0.782   9.261
 1002   3HB   ALA 128          HB3       ALA 128   4.810   0.700   9.876
 1003    H    GLY 129           H        GLY 129   6.040   1.933  11.789
 1004   1HA   GLY 129          HA2       GLY 129   5.991   1.585  14.030
 1005   2HA   GLY 129          HA3       GLY 129   6.050  -0.140  13.647
 1006    H    GLY 130           H        GLY 130   8.752   2.004  12.835
 1007   1HA   GLY 130          HA2       GLY 130  10.664   0.517  14.396
 1008   2HA   GLY 130          HA3       GLY 130  10.950   2.045  13.557
 1009    H    SER 131           H        SER 131  12.119   1.579  16.006
 1010    HA   SER 131           HA       SER 131  10.721   2.934  18.165
 1011   1HB   SER 131          HB2       SER 131  13.697   2.394  17.784
 1012   2HB   SER 131          HB3       SER 131  12.872   2.831  19.291
 1013    HG   SER 131           HG       SER 131  13.248   0.557  19.108
 1014    H    GLY 132           H        GLY 132   9.976   4.864  17.262
 1015   1HA   GLY 132          HA2       GLY 132   9.943   6.828  16.107
 1016   2HA   GLY 132          HA3       GLY 132  11.566   7.171  16.731
 1017    H    MET 133           H        MET 133  12.837   7.633  14.954
 1018    HA   MET 133           HA       MET 133  12.596   5.893  12.531
 1019   1HB   MET 133          HB2       MET 133  13.632   8.748  12.718
 1020   2HB   MET 133          HB3       MET 133  13.440   7.768  11.265
 1021   1HG   MET 133          HG2       MET 133  10.919   7.613  12.062
 1022   2HG   MET 133          HG3       MET 133  11.334   9.085  12.938
 1023   1HE   MET 133          HE1       MET 133  12.844  11.022  11.506
 1024   2HE   MET 133          HE2       MET 133  13.651   9.961  10.332
 1025   3HE   MET 133          HE3       MET 133  12.618  11.280   9.758
 1026    H    LYS 134           H        LYS 134  14.276   5.303  15.038
 1027    HA   LYS 134           HA       LYS 134  16.884   6.267  14.466
 1028   1HB   LYS 134          HB2       LYS 134  16.024   5.491  16.739
 1029   2HB   LYS 134          HB3       LYS 134  16.202   3.840  16.173
 1030   1HG   LYS 134          HG2       LYS 134  18.067   4.333  17.522
 1031   2HG   LYS 134          HG3       LYS 134  18.678   4.250  15.886
 1032   1HD   LYS 134          HD2       LYS 134  18.074   6.853  17.377
 1033   2HD   LYS 134          HD3       LYS 134  19.635   6.035  17.380
 1034   1HE   LYS 134          HE2       LYS 134  19.620   6.243  14.814
 1035   2HE   LYS 134          HE3       LYS 134  18.271   7.372  15.018
 1036   1HZ   LYS 134          HZ1       LYS 134  19.735   8.736  16.424
 1037   2HZ   LYS 134          HZ2       LYS 134  20.990   7.727  16.110
 1038   3HZ   LYS 134          HZ3       LYS 134  20.304   8.577  14.891
 1039    H    MET 135           H        MET 135  15.350   3.171  13.566
 1040    HA   MET 135           HA       MET 135  17.744   2.072  12.362
 1041   1HB   MET 135          HB2       MET 135  15.579   0.870  13.106
 1042   2HB   MET 135          HB3       MET 135  14.879   1.389  11.578
 1043   1HG   MET 135          HG2       MET 135  17.369  -0.321  11.974
 1044   2HG   MET 135          HG3       MET 135  15.775  -0.923  11.572
 1045   1HE   MET 135          HE1       MET 135  14.505  -0.276   9.338
 1046   2HE   MET 135          HE2       MET 135  15.032   1.409   9.086
 1047   3HE   MET 135          HE3       MET 135  15.324   0.189   7.828
 1048    H    LEU 136           H        LEU 136  14.980   4.014  11.176
 1049    HA   LEU 136           HA       LEU 136  15.412   3.841   8.429
 1050   1HB   LEU 136          HB2       LEU 136  13.416   4.821   9.618
 1051   2HB   LEU 136          HB3       LEU 136  14.411   6.222  10.017
 1052    HG   LEU 136           HG       LEU 136  14.705   6.656   7.527
 1053   1HD1  LEU 136          HD11      LEU 136  14.208   4.500   6.561
 1054   2HD1  LEU 136          HD12      LEU 136  12.639   4.416   7.388
 1055   3HD1  LEU 136          HD13      LEU 136  12.902   5.594   6.084
 1056   1HD2  LEU 136          HD21      LEU 136  11.963   6.707   8.816
 1057   2HD2  LEU 136          HD22      LEU 136  13.218   7.959   8.856
 1058   3HD2  LEU 136          HD23      LEU 136  12.411   7.593   7.341
 1059    H    GLU 137           H        GLU 137  16.919   6.069  10.779
 1060    HA   GLU 137           HA       GLU 137  18.285   7.823   9.100
 1061   1HB   GLU 137          HB2       GLU 137  18.169   7.855  11.604
 1062   2HB   GLU 137          HB3       GLU 137  19.288   6.491  11.649
 1063   1HG   GLU 137          HG2       GLU 137  20.968   7.983  10.413
 1064   2HG   GLU 137          HG3       GLU 137  19.841   9.318  10.679
 1065    H    LYS 138           H        LYS 138  19.150   4.424   9.931
 1066    HA   LYS 138           HA       LYS 138  21.725   4.502   8.596
 1067   1HB   LYS 138          HB2       LYS 138  20.029   2.028   9.154
 1068   2HB   LYS 138          HB3       LYS 138  21.753   2.109   8.852
 1069   1HG   LYS 138          HG2       LYS 138  20.260   2.965  11.350
 1070   2HG   LYS 138          HG3       LYS 138  21.446   1.678  11.152
 1071   1HD   LYS 138          HD2       LYS 138  23.142   3.560  10.570
 1072   2HD   LYS 138          HD3       LYS 138  21.914   4.679  11.210
 1073   1HE   LYS 138          HE2       LYS 138  21.878   3.268  13.332
 1074   2HE   LYS 138          HE3       LYS 138  23.232   2.345  12.671
 1075   1HZ   LYS 138          HZ1       LYS 138  24.514   4.430  12.619
 1076   2HZ   LYS 138          HZ2       LYS 138  23.265   5.242  13.309
 1077   3HZ   LYS 138          HZ3       LYS 138  24.034   4.057  14.133
 1078    H    ARG 139           H        ARG 139  18.445   3.276   7.637
 1079    HA   ARG 139           HA       ARG 139  19.309   2.409   5.062
 1080   1HB   ARG 139          HB2       ARG 139  17.230   1.587   5.945
 1081   2HB   ARG 139          HB3       ARG 139  16.563   3.211   6.089
 1082   1HG   ARG 139          HG2       ARG 139  15.571   2.067   4.189
 1083   2HG   ARG 139          HG3       ARG 139  16.473   3.461   3.660
 1084   1HD   ARG 139          HD2       ARG 139  16.921   1.775   2.078
 1085   2HD   ARG 139          HD3       ARG 139  18.388   1.908   3.035
 1086    HE   ARG 139           HE       ARG 139  16.622  -0.126   4.077
 1087   1HH1  ARG 139          HH11      ARG 139  18.973   0.454   1.458
 1088   2HH1  ARG 139          HH12      ARG 139  19.266  -1.222   1.171
 1089   1HH2  ARG 139          HH21      ARG 139  16.969  -2.367   3.617
 1090   2HH2  ARG 139          HH22      ARG 139  18.087  -2.845   2.394
 1091    H    VAL 140           H        VAL 140  18.156   5.639   6.161
 1092    HA   VAL 140           HA       VAL 140  18.160   6.808   3.553
 1093    HB   VAL 140           HB       VAL 140  18.324   7.839   6.387
 1094   1HG1  VAL 140          HG11      VAL 140  19.716   9.470   5.376
 1095   2HG1  VAL 140          HG12      VAL 140  18.770   9.489   3.881
 1096   3HG1  VAL 140          HG13      VAL 140  18.111  10.192   5.375
 1097   1HG2  VAL 140          HG21      VAL 140  16.329   8.340   4.132
 1098   2HG2  VAL 140          HG22      VAL 140  16.191   6.993   5.281
 1099   3HG2  VAL 140          HG23      VAL 140  16.107   8.642   5.869
 1100    H    ASN 141           H        ASN 141  20.827   6.499   5.992
 1101    HA   ASN 141           HA       ASN 141  22.776   7.818   4.357
 1102   1HB   ASN 141          HB2       ASN 141  22.992   5.785   6.603
 1103   2HB   ASN 141          HB3       ASN 141  24.402   6.246   5.662
 1104   1HD2  ASN 141          HD22      ASN 141  21.879   7.556   7.858
 1105   2HD2  ASN 141          HD21      ASN 141  22.767   9.021   8.232
 1106    H    ARG 142           H        ARG 142  21.666   4.418   4.453
 1107    HA   ARG 142           HA       ARG 142  23.490   3.432   2.519
 1108   1HB   ARG 142          HB2       ARG 142  21.537   2.343   4.113
 1109   2HB   ARG 142          HB3       ARG 142  20.727   2.260   2.555
 1110   1HG   ARG 142          HG2       ARG 142  23.495   1.144   3.203
 1111   2HG   ARG 142          HG3       ARG 142  21.997   0.207   3.208
 1112   1HD   ARG 142          HD2       ARG 142  21.677   0.584   0.829
 1113   2HD   ARG 142          HD3       ARG 142  23.124   1.614   0.754
 1114    HE   ARG 142           HE       ARG 142  23.979  -0.801   1.831
 1115   1HH1  ARG 142          HH11      ARG 142  22.361   0.125  -1.197
 1116   2HH1  ARG 142          HH12      ARG 142  23.367  -0.881  -2.200
 1117   1HH2  ARG 142          HH21      ARG 142  25.221  -2.233   0.522
 1118   2HH2  ARG 142          HH22      ARG 142  24.968  -2.309  -1.185
 1119    H    VAL 143           H        VAL 143  20.196   4.890   2.060
 1120    HA   VAL 143           HA       VAL 143  20.277   4.662  -0.791
 1121    HB   VAL 143           HB       VAL 143  18.642   6.338   1.129
 1122   1HG1  VAL 143          HG11      VAL 143  18.776   7.743  -0.859
 1123   2HG1  VAL 143          HG12      VAL 143  18.425   6.357  -1.915
 1124   3HG1  VAL 143          HG13      VAL 143  17.189   6.978  -0.799
 1125   1HG2  VAL 143          HG21      VAL 143  17.998   4.052  -0.799
 1126   2HG2  VAL 143          HG22      VAL 143  18.185   3.898   0.960
 1127   3HG2  VAL 143          HG23      VAL 143  16.840   4.830   0.291
 1128    H    LEU 144           H        LEU 144  21.508   7.292   1.395
 1129    HA   LEU 144           HA       LEU 144  22.256   9.019  -0.751
 1130   1HB   LEU 144          HB2       LEU 144  23.624   8.566   1.934
 1131   2HB   LEU 144          HB3       LEU 144  24.090   9.814   0.793
 1132    HG   LEU 144           HG       LEU 144  21.345   9.631   2.101
 1133   1HD1  LEU 144          HD11      LEU 144  23.129  10.161   3.729
 1134   2HD1  LEU 144          HD12      LEU 144  23.692  11.485   2.689
 1135   3HD1  LEU 144          HD13      LEU 144  22.081  11.557   3.439
 1136   1HD2  LEU 144          HD21      LEU 144  22.590  11.832   0.394
 1137   2HD2  LEU 144          HD22      LEU 144  21.223  10.796  -0.058
 1138   3HD2  LEU 144          HD23      LEU 144  21.044  11.937   1.268
 1139    H    ALA 145           H        ALA 145  23.990   6.230   0.707
 1140    HA   ALA 145           HA       ALA 145  26.258   6.419  -1.019
 1141   1HB   ALA 145          HB1       ALA 145  26.247   5.245   1.170
 1142   2HB   ALA 145          HB2       ALA 145  25.188   3.992   0.481
 1143   3HB   ALA 145          HB3       ALA 145  26.828   4.214  -0.150
 1144    H    GLU 146           H        GLU 146  23.083   5.601  -1.897
 1145    HA   GLU 146           HA       GLU 146  23.956   3.949  -4.228
 1146   1HB   GLU 146          HB2       GLU 146  21.233   4.440  -2.951
 1147   2HB   GLU 146          HB3       GLU 146  21.455   3.637  -4.504
 1148   1HG   GLU 146          HG2       GLU 146  22.693   1.828  -3.513
 1149   2HG   GLU 146          HG3       GLU 146  22.737   2.629  -1.946
 1150    H    THR 147           H        THR 147  23.411   7.165  -3.340
 1151    HA   THR 147           HA       THR 147  22.427   7.964  -6.030
 1152    HB   THR 147           HB       THR 147  21.529   9.283  -3.447
 1153    HG1  THR 147           HG1      THR 147  20.839   7.212  -3.175
 1154   1HG2  THR 147          HG21      THR 147  20.942  10.508  -5.488
 1155   2HG2  THR 147          HG22      THR 147  20.317   9.021  -6.232
 1156   3HG2  THR 147          HG23      THR 147  19.479   9.751  -4.846
 1157    H    GLU 148           H        GLU 148  25.164   7.911  -4.590
 1158    HA   GLU 148           HA       GLU 148  26.065  10.564  -5.422
 1159   1HB   GLU 148          HB2       GLU 148  25.510  10.831  -3.002
 1160   2HB   GLU 148          HB3       GLU 148  26.555   9.456  -2.613
 1161   1HG   GLU 148          HG2       GLU 148  28.523  10.682  -3.432
 1162   2HG   GLU 148          HG3       GLU 148  27.498  12.022  -3.960
  Start of MODEL    2
    1   1H    MET   1           H1       MET   1   0.870  -1.368  -4.453
    2   2H    MET   1           H2       MET   1   0.814  -0.641  -5.925
    3   3H    MET   1           H3       MET   1   1.451  -2.141  -5.766
    4    HA   MET   1           HA       MET   1   3.241  -0.568  -6.011
    5   1HB   MET   1          HB2       MET   1   1.912   0.790  -3.653
    6   2HB   MET   1          HB3       MET   1   3.608   1.025  -4.080
    7   1HG   MET   1          HG2       MET   1   3.010   1.867  -6.290
    8   2HG   MET   1          HG3       MET   1   1.309   1.578  -5.963
    9   1HE   MET   1          HE1       MET   1   4.161   3.265  -3.650
   10   2HE   MET   1          HE2       MET   1   4.410   4.001  -5.261
   11   3HE   MET   1          HE3       MET   1   3.765   4.961  -3.902
   12    H    LYS   2           H        LYS   2   5.141  -1.311  -5.369
   13    HA   LYS   2           HA       LYS   2   5.420  -3.140  -3.013
   14   1HB   LYS   2          HB2       LYS   2   6.483  -3.584  -5.832
   15   2HB   LYS   2          HB3       LYS   2   6.737  -4.614  -4.412
   16   1HG   LYS   2          HG2       LYS   2   4.253  -5.012  -4.325
   17   2HG   LYS   2          HG3       LYS   2   4.103  -4.102  -5.847
   18   1HD   LYS   2          HD2       LYS   2   5.610  -5.715  -6.970
   19   2HD   LYS   2          HD3       LYS   2   5.762  -6.632  -5.454
   20   1HE   LYS   2          HE2       LYS   2   3.306  -7.027  -5.452
   21   2HE   LYS   2          HE3       LYS   2   3.157  -6.121  -6.964
   22   1HZ   LYS   2          HZ1       LYS   2   4.682  -8.641  -6.632
   23   2HZ   LYS   2          HZ2       LYS   2   3.234  -8.497  -7.361
   24   3HZ   LYS   2          HZ3       LYS   2   4.546  -7.804  -8.030
   25    H    LEU   3           H        LEU   3   8.156  -3.235  -4.456
   26    HA   LEU   3           HA       LEU   3   9.352  -0.652  -3.618
   27   1HB   LEU   3          HB2       LEU   3  10.699  -3.357  -4.011
   28   2HB   LEU   3          HB3       LEU   3  11.452  -1.872  -3.427
   29    HG   LEU   3           HG       LEU   3   9.330  -3.533  -1.997
   30   1HD1  LEU   3          HD11      LEU   3  11.614  -4.435  -1.950
   31   2HD1  LEU   3          HD12      LEU   3  12.230  -2.891  -1.313
   32   3HD1  LEU   3          HD13      LEU   3  11.111  -3.882  -0.343
   33   1HD2  LEU   3          HD21      LEU   3  10.520  -0.831  -1.261
   34   2HD2  LEU   3          HD22      LEU   3   8.819  -1.269  -1.538
   35   3HD2  LEU   3          HD23      LEU   3   9.652  -1.897  -0.113
   36    H    ARG   4           H        ARG   4  11.000   0.172  -4.914
   37    HA   ARG   4           HA       ARG   4  11.803   1.105  -6.697
   38   1HB   ARG   4          HB2       ARG   4  11.922  -1.694  -7.854
   39   2HB   ARG   4          HB3       ARG   4  12.794  -0.274  -8.447
   40   1HG   ARG   4          HG2       ARG   4  13.780  -0.038  -6.074
   41   2HG   ARG   4          HG3       ARG   4  13.104  -1.635  -5.740
   42   1HD   ARG   4          HD2       ARG   4  15.417  -1.909  -6.368
   43   2HD   ARG   4          HD3       ARG   4  14.414  -2.543  -7.686
   44    HE   ARG   4           HE       ARG   4  15.105   0.249  -8.087
   45   1HH1  ARG   4          HH21      ARG   4  16.472  -3.018  -8.422
   46   2HH1  ARG   4          HH22      ARG   4  17.556  -2.570  -9.686
   47   1HH2  ARG   4          HH11      ARG   4  16.479   0.834  -9.694
   48   2HH2  ARG   4          HH12      ARG   4  17.573  -0.295 -10.450
   49    H    GLN   5           H        GLN   5   8.907   1.058  -6.542
   50    HA   GLN   5           HA       GLN   5   8.158   1.407  -9.418
   51   1HB   GLN   5          HB2       GLN   5   6.243   2.514  -7.433
   52   2HB   GLN   5          HB3       GLN   5   5.971   1.480  -8.824
   53   1HG   GLN   5          HG2       GLN   5   5.240   0.209  -7.015
   54   2HG   GLN   5          HG3       GLN   5   6.853  -0.461  -7.291
   55   1HE2  GLN   5          HE22      GLN   5   5.032   1.975  -5.315
   56   2HE2  GLN   5          HE21      GLN   5   6.122   1.797  -3.946
   57    HA   PRO   6           HA       PRO   6   9.226   5.728  -8.819
   58   1HB   PRO   6          HB2       PRO   6   7.626   7.077 -10.530
   59   2HB   PRO   6          HB3       PRO   6   8.994   6.036 -11.051
   60   1HG   PRO   6          HG2       PRO   6   6.041   5.318 -10.951
   61   2HG   PRO   6          HG3       PRO   6   7.194   5.049 -12.297
   62   1HD   PRO   6          HD2       PRO   6   6.568   3.111 -10.445
   63   2HD   PRO   6          HD3       PRO   6   8.186   3.220 -11.202
   64    H    MET   7           H        MET   7   8.618   7.269  -7.469
   65    HA   MET   7           HA       MET   7   6.656   7.328  -5.610
   66   1HB   MET   7          HB2       MET   7   8.681   8.767  -5.830
   67   2HB   MET   7          HB3       MET   7   7.831   9.758  -7.021
   68   1HG   MET   7          HG2       MET   7   6.103  10.265  -5.287
   69   2HG   MET   7          HG3       MET   7   7.046   9.345  -4.110
   70   1HE   MET   7          HE1       MET   7  10.316  11.590  -3.828
   71   2HE   MET   7          HE2       MET   7   9.492  10.127  -3.234
   72   3HE   MET   7          HE3       MET   7  10.088  10.208  -4.910
   73    HA   PRO   8           HA       PRO   8   2.993   8.264  -8.101
   74   1HB   PRO   8          HB2       PRO   8   1.036   8.072  -6.238
   75   2HB   PRO   8          HB3       PRO   8   2.055   6.661  -6.653
   76   1HG   PRO   8          HG2       PRO   8   2.410   8.588  -4.345
   77   2HG   PRO   8          HG3       PRO   8   2.357   6.792  -4.287
   78   1HD   PRO   8          HD2       PRO   8   4.728   8.223  -4.416
   79   2HD   PRO   8          HD3       PRO   8   4.542   6.605  -5.152
   80    H    GLU   9           H        GLU   9   0.841   9.689  -6.898
   81    HA   GLU   9           HA       GLU   9   1.439  12.472  -7.263
   82   1HB   GLU   9          HB2       GLU   9  -0.836  10.888  -6.012
   83   2HB   GLU   9          HB3       GLU   9  -0.937  12.618  -6.458
   84   1HG   GLU   9          HG2       GLU   9  -0.604  10.218  -8.284
   85   2HG   GLU   9          HG3       GLU   9  -2.077  11.162  -8.036
   86    H    LEU  10           H        LEU  10   2.162  13.887  -5.712
   87    HA   LEU  10           HA       LEU  10   1.801  13.292  -2.805
   88   1HB   LEU  10          HB2       LEU  10   3.862  14.773  -4.473
   89   2HB   LEU  10          HB3       LEU  10   3.589  15.253  -2.823
   90    HG   LEU  10           HG       LEU  10   5.502  13.695  -3.377
   91   1HD1  LEU  10          HD11      LEU  10   4.687  14.273  -1.076
   92   2HD1  LEU  10          HD12      LEU  10   3.637  12.836  -1.120
   93   3HD1  LEU  10          HD13      LEU  10   5.410  12.676  -1.176
   94   1HD2  LEU  10          HD21      LEU  10   5.159  11.300  -3.321
   95   2HD2  LEU  10          HD22      LEU  10   3.403  11.506  -3.267
   96   3HD2  LEU  10          HD23      LEU  10   4.310  12.005  -4.705
   97    H    THR  11           H        THR  11  -0.282  14.283  -2.406
   98    HA   THR  11           HA       THR  11  -0.265  17.093  -2.447
   99    HB   THR  11           HB       THR  11  -0.812  16.696  -4.889
  100    HG1  THR  11           HG1      THR  11  -1.484  18.590  -4.105
  101   1HG2  THR  11          HG21      THR  11  -3.073  16.026  -5.524
  102   2HG2  THR  11          HG22      THR  11  -2.100  14.711  -4.866
  103   3HG2  THR  11          HG23      THR  11  -3.378  15.461  -3.868
  104    H    GLY  12           H        GLY  12  -2.097  17.932  -1.296
  105   1HA   GLY  12          HA2       GLY  12  -4.219  16.335  -0.286
  106   2HA   GLY  12          HA3       GLY  12  -2.999  16.671   0.974
  107    H    GLU  13           H        GLU  13  -5.746  17.786   0.810
  108    HA   GLU  13           HA       GLU  13  -5.127  20.673   0.362
  109   1HB   GLU  13          HB2       GLU  13  -6.405  19.343  -1.430
  110   2HB   GLU  13          HB3       GLU  13  -7.707  19.183  -0.263
  111   1HG   GLU  13          HG2       GLU  13  -8.173  20.985  -1.818
  112   2HG   GLU  13          HG3       GLU  13  -7.963  21.666  -0.220
  113    H    LYS  14           H        LYS  14  -6.237  18.420   2.749
  114    HA   LYS  14           HA       LYS  14  -8.109  20.277   4.008
  115   1HB   LYS  14          HB2       LYS  14  -8.298  17.844   4.385
  116   2HB   LYS  14          HB3       LYS  14  -6.752  17.859   5.268
  117   1HG   LYS  14          HG2       LYS  14  -7.639  19.260   6.983
  118   2HG   LYS  14          HG3       LYS  14  -9.069  19.667   6.036
  119   1HD   LYS  14          HD2       LYS  14  -9.673  18.212   7.840
  120   2HD   LYS  14          HD3       LYS  14  -9.942  17.394   6.297
  121   1HE   LYS  14          HE2       LYS  14  -7.966  16.025   6.589
  122   2HE   LYS  14          HE3       LYS  14  -7.439  16.973   7.991
  123   1HZ   LYS  14          HZ1       LYS  14  -8.562  14.829   8.536
  124   2HZ   LYS  14          HZ2       LYS  14  -9.221  16.112   9.281
  125   3HZ   LYS  14          HZ3       LYS  14  -9.971  15.435   7.980
  126    H    ALA  15           H        ALA  15  -4.617  19.530   4.268
  127    HA   ALA  15           HA       ALA  15  -4.117  22.261   4.971
  128   1HB   ALA  15          HB1       ALA  15  -3.472  20.146   7.092
  129   2HB   ALA  15          HB2       ALA  15  -2.797  21.779   7.067
  130   3HB   ALA  15          HB3       ALA  15  -4.531  21.557   7.258
  131    H    TRP  16           H        TRP  16  -1.802  22.677   4.958
  132    HA   TRP  16           HA       TRP  16  -0.012  20.728   3.692
  133   1HB   TRP  16          HB2       TRP  16   0.351  22.853   1.997
  134   2HB   TRP  16          HB3       TRP  16  -0.486  21.361   1.664
  135    HD1  TRP  16           HD1      TRP  16  -2.497  21.849   0.272
  136    HE1  TRP  16           HE1      TRP  16  -4.501  23.416   0.330
  137    HE3  TRP  16           HE3      TRP  16  -1.118  24.667   4.314
  138    HZ2  TRP  16           HZ2      TRP  16  -5.401  25.669   1.961
  139    HZ3  TRP  16           HZ3      TRP  16  -2.590  26.500   5.121
  140    HH2  TRP  16           HH2      TRP  16  -4.725  27.008   3.953
  141    H    LEU  17           H        LEU  17   0.397  21.227   6.045
  142    HA   LEU  17           HA       LEU  17   1.096  23.806   7.029
  143   1HB   LEU  17          HB2       LEU  17   1.853  21.086   8.169
  144   2HB   LEU  17          HB3       LEU  17   1.834  22.616   9.033
  145    HG   LEU  17           HG       LEU  17  -0.593  21.134   7.924
  146   1HD1  LEU  17          HD11      LEU  17   0.379  21.574  10.762
  147   2HD1  LEU  17          HD12      LEU  17  -1.158  20.799  10.305
  148   3HD1  LEU  17          HD13      LEU  17   0.386  20.047   9.860
  149   1HD2  LEU  17          HD21      LEU  17  -1.952  22.805   9.185
  150   2HD2  LEU  17          HD22      LEU  17  -0.485  23.750   9.492
  151   3HD2  LEU  17          HD23      LEU  17  -1.072  23.528   7.835
  152    H    ASN  18           H        ASN  18   2.958  24.837   7.074
  153    HA   ASN  18           HA       ASN  18   5.069  25.519   6.798
  154   1HB   ASN  18          HB2       ASN  18   5.950  22.684   6.321
  155   2HB   ASN  18          HB3       ASN  18   6.989  24.077   6.496
  156   1HD2  ASN  18          HD22      ASN  18   6.463  21.498   8.099
  157   2HD2  ASN  18          HD21      ASN  18   6.484  22.079   9.769
  158    H    GLY  19           H        GLY  19   3.679  23.227   4.510
  159   1HA   GLY  19          HA2       GLY  19   3.405  24.566   2.253
  160   2HA   GLY  19          HA3       GLY  19   5.155  24.271   2.186
  161    H    GLU  20           H        GLU  20   3.802  23.120   0.188
  162    HA   GLU  20           HA       GLU  20   4.170  20.274   0.748
  163   1HB   GLU  20          HB2       GLU  20   2.141  19.685  -0.448
  164   2HB   GLU  20          HB3       GLU  20   1.810  20.685   0.959
  165   1HG   GLU  20          HG2       GLU  20   0.306  21.369  -0.723
  166   2HG   GLU  20          HG3       GLU  20   1.457  22.667  -0.476
  167    H    VAL  21           H        VAL  21   4.638  19.099  -1.320
  168    HA   VAL  21           HA       VAL  21   5.260  20.717  -3.659
  169    HB   VAL  21           HB       VAL  21   7.567  19.299  -3.618
  170   1HG1  VAL  21          HG11      VAL  21   8.752  21.332  -3.193
  171   2HG1  VAL  21          HG12      VAL  21   7.313  21.653  -4.165
  172   3HG1  VAL  21          HG13      VAL  21   7.316  22.071  -2.434
  173   1HG2  VAL  21          HG21      VAL  21   7.368  20.177  -0.718
  174   2HG2  VAL  21          HG22      VAL  21   7.273  18.489  -1.283
  175   3HG2  VAL  21          HG23      VAL  21   8.751  19.431  -1.543
  176    H    THR  22           H        THR  22   5.337  19.533  -5.511
  177    HA   THR  22           HA       THR  22   4.236  16.852  -5.591
  178    HB   THR  22           HB       THR  22   4.928  17.317  -8.083
  179    HG1  THR  22           HG1      THR  22   5.138  19.497  -8.543
  180   1HG2  THR  22          HG21      THR  22   2.866  18.989  -6.615
  181   2HG2  THR  22          HG22      THR  22   2.874  18.628  -8.366
  182   3HG2  THR  22          HG23      THR  22   2.664  17.316  -7.186
  183    H    ARG  23           H        ARG  23   5.341  15.096  -6.711
  184    HA   ARG  23           HA       ARG  23   7.919  14.488  -5.809
  185   1HB   ARG  23          HB2       ARG  23   8.014  12.775  -7.490
  186   2HB   ARG  23          HB3       ARG  23   6.439  12.797  -6.706
  187   1HG   ARG  23          HG2       ARG  23   5.448  13.911  -8.680
  188   2HG   ARG  23          HG3       ARG  23   7.032  13.907  -9.487
  189   1HD   ARG  23          HD2       ARG  23   7.109  11.482  -9.482
  190   2HD   ARG  23          HD3       ARG  23   5.634  11.383  -8.525
  191    HE   ARG  23           HE       ARG  23   5.901  12.039 -11.388
  192   1HH1  ARG  23          HH21      ARG  23   3.686  11.676  -8.617
  193   2HH1  ARG  23          HH22      ARG  23   2.246  11.881  -9.595
  194   1HH2  ARG  23          HH11      ARG  23   3.957  12.192 -12.650
  195   2HH2  ARG  23          HH12      ARG  23   2.417  12.102 -11.871
  196    H    GLU  24           H        GLU  24   6.915  16.326  -8.747
  197    HA   GLU  24           HA       GLU  24   9.576  16.235  -9.807
  198   1HB   GLU  24          HB2       GLU  24   8.791  17.851 -11.467
  199   2HB   GLU  24          HB3       GLU  24   7.588  16.587 -11.216
  200   1HG   GLU  24          HG2       GLU  24   6.259  18.092  -9.793
  201   2HG   GLU  24          HG3       GLU  24   7.468  19.362  -9.937
  202    H    GLN  25           H        GLN  25   8.408  18.191  -7.193
  203    HA   GLN  25           HA       GLN  25  10.660  20.118  -7.540
  204   1HB   GLN  25          HB2       GLN  25   8.213  20.089  -5.741
  205   2HB   GLN  25          HB3       GLN  25   9.503  21.303  -5.664
  206   1HG   GLN  25          HG2       GLN  25   9.022  21.997  -7.982
  207   2HG   GLN  25          HG3       GLN  25   7.765  20.766  -8.115
  208   1HE2  GLN  25          HE22      GLN  25   5.735  21.065  -7.067
  209   2HE2  GLN  25          HE21      GLN  25   5.281  22.609  -6.370
  210    H    LEU  26           H        LEU  26   9.525  17.326  -5.718
  211    HA   LEU  26           HA       LEU  26  11.400  17.492  -3.512
  212   1HB   LEU  26          HB2       LEU  26   9.492  15.475  -4.742
  213   2HB   LEU  26          HB3       LEU  26  10.621  14.954  -3.491
  214    HG   LEU  26           HG       LEU  26   8.636  17.234  -3.140
  215   1HD1  LEU  26          HD11      LEU  26   7.207  15.587  -1.981
  216   2HD1  LEU  26          HD12      LEU  26   7.453  15.176  -3.684
  217   3HD1  LEU  26          HD13      LEU  26   8.341  14.285  -2.438
  218   1HD2  LEU  26          HD21      LEU  26  10.475  17.285  -1.515
  219   2HD2  LEU  26          HD22      LEU  26   8.982  16.778  -0.721
  220   3HD2  LEU  26          HD23      LEU  26  10.213  15.567  -1.133
  221    H    ILE  27           H        ILE  27  11.165  15.387  -6.440
  222    HA   ILE  27           HA       ILE  27  13.934  14.478  -6.022
  223    HB   ILE  27           HB       ILE  27  13.263  13.083  -8.127
  224   1HG1  ILE  27          HG12      ILE  27  10.462  13.439  -7.079
  225   2HG1  ILE  27          HG13      ILE  27  11.108  14.321  -8.499
  226   1HG2  ILE  27          HG21      ILE  27  12.063  12.535  -5.385
  227   2HG2  ILE  27          HG22      ILE  27  12.439  11.329  -6.644
  228   3HG2  ILE  27          HG23      ILE  27  13.746  12.208  -5.876
  229   1HD1  ILE  27          HD11      ILE  27  11.598  12.162  -9.598
  230   2HD1  ILE  27          HD12      ILE  27  10.801  11.329  -8.239
  231   3HD1  ILE  27          HD13      ILE  27   9.872  12.422  -9.272
  232    H    GLY  28           H        GLY  28  15.072  13.966  -8.188
  233   1HA   GLY  28          HA2       GLY  28  15.479  14.728 -10.441
  234   2HA   GLY  28          HA3       GLY  28  15.198  16.397  -9.914
  235    H    GLU  29           H        GLU  29  16.704  15.489  -7.303
  236    HA   GLU  29           HA       GLU  29  19.499  15.767  -8.321
  237   1HB   GLU  29          HB2       GLU  29  18.204  17.966  -8.107
  238   2HB   GLU  29          HB3       GLU  29  18.114  17.656  -6.374
  239   1HG   GLU  29          HG2       GLU  29  20.640  17.581  -6.306
  240   2HG   GLU  29          HG3       GLU  29  20.674  17.940  -8.034
  241    H    LYS  30           H        LYS  30  17.297  15.399  -5.484
  242    HA   LYS  30           HA       LYS  30  19.453  13.992  -4.000
  243   1HB   LYS  30          HB2       LYS  30  17.536  16.149  -3.003
  244   2HB   LYS  30          HB3       LYS  30  18.561  15.171  -1.955
  245   1HG   LYS  30          HG2       LYS  30  20.580  16.149  -2.995
  246   2HG   LYS  30          HG3       LYS  30  19.562  17.118  -4.085
  247   1HD   LYS  30          HD2       LYS  30  18.521  18.252  -2.158
  248   2HD   LYS  30          HD3       LYS  30  19.463  17.249  -1.048
  249   1HE   LYS  30          HE2       LYS  30  20.792  19.078  -1.004
  250   2HE   LYS  30          HE3       LYS  30  21.545  18.242  -2.360
  251   1HZ   LYS  30          HZ1       LYS  30  21.155  20.572  -2.839
  252   2HZ   LYS  30          HZ2       LYS  30  20.222  19.704  -3.855
  253   3HZ   LYS  30          HZ3       LYS  30  19.560  20.444  -2.552
  254    HA   PRO  31           HA       PRO  31  16.160  11.021  -3.355
  255   1HB   PRO  31          HB2       PRO  31  16.866   9.985  -0.879
  256   2HB   PRO  31          HB3       PRO  31  17.629   9.549  -2.436
  257   1HG   PRO  31          HG2       PRO  31  18.590  11.526  -0.370
  258   2HG   PRO  31          HG3       PRO  31  19.523  10.279  -1.269
  259   1HD   PRO  31          HD2       PRO  31  19.525  12.890  -2.036
  260   2HD   PRO  31          HD3       PRO  31  19.533  11.578  -3.240
  261    H    THR  32           H        THR  32  14.503  10.418  -1.753
  262    HA   THR  32           HA       THR  32  13.564  12.760  -0.150
  263    HB   THR  32           HB       THR  32  11.972  11.190  -2.211
  264    HG1  THR  32           HG1      THR  32  13.324  12.746  -3.116
  265   1HG2  THR  32          HG21      THR  32  10.170  12.859  -1.804
  266   2HG2  THR  32          HG22      THR  32  10.441  11.800  -0.421
  267   3HG2  THR  32          HG23      THR  32  11.070  13.462  -0.401
  268    H    LEU  33           H        LEU  33  12.258  12.234   1.610
  269    HA   LEU  33           HA       LEU  33  11.761   9.365   2.215
  270   1HB   LEU  33          HB2       LEU  33  13.555   9.861   3.681
  271   2HB   LEU  33          HB3       LEU  33  12.980  11.505   3.977
  272    HG   LEU  33           HG       LEU  33  11.130  10.706   5.337
  273   1HD1  LEU  33          HD11      LEU  33  12.164   7.868   4.920
  274   2HD1  LEU  33          HD12      LEU  33  10.792   8.386   5.935
  275   3HD1  LEU  33          HD13      LEU  33  10.688   8.511   4.193
  276   1HD2  LEU  33          HD21      LEU  33  12.379   9.874   7.233
  277   2HD2  LEU  33          HD22      LEU  33  13.714   9.354   6.180
  278   3HD2  LEU  33          HD23      LEU  33  13.347  11.079   6.377
  279    H    ILE  34           H        ILE  34   9.586   9.211   2.077
  280    HA   ILE  34           HA       ILE  34   7.901  11.522   2.926
  281    HB   ILE  34           HB       ILE  34   6.908   8.983   1.594
  282   1HG1  ILE  34          HG12      ILE  34   7.421  11.624   0.152
  283   2HG1  ILE  34          HG13      ILE  34   8.411  10.184  -0.023
  284   1HG2  ILE  34          HG21      ILE  34   4.849  10.313   1.267
  285   2HG2  ILE  34          HG22      ILE  34   5.290  10.327   2.960
  286   3HG2  ILE  34          HG23      ILE  34   5.642  11.747   1.953
  287   1HD1  ILE  34          HD11      ILE  34   6.355   8.934  -0.818
  288   2HD1  ILE  34          HD12      ILE  34   5.499  10.476  -0.854
  289   3HD1  ILE  34          HD13      ILE  34   6.921  10.240  -1.881
  290    H    HIS  35           H        HIS  35   6.851  11.217   4.959
  291    HA   HIS  35           HA       HIS  35   6.655   8.414   5.871
  292   1HB   HIS  35          HB2       HIS  35   7.412   8.748   8.003
  293   2HB   HIS  35          HB3       HIS  35   8.620   9.537   7.009
  294    HD1  HIS  35           HD1      HIS  35   6.370  10.115   9.917
  295    HD2  HIS  35           HD2      HIS  35   8.456  12.384   7.051
  296    HE1  HIS  35           HE1      HIS  35   6.528  12.481  10.847
  297    H    PHE  36           H        PHE  36   4.998   7.927   7.210
  298    HA   PHE  36           HA       PHE  36   2.641   9.718   7.124
  299   1HB   PHE  36          HB2       PHE  36   2.936   6.749   6.790
  300   2HB   PHE  36          HB3       PHE  36   1.476   7.415   7.508
  301    HD1  PHE  36           HD1      PHE  36   3.709   8.162   4.532
  302    HD2  PHE  36           HD2      PHE  36  -0.311   7.829   6.075
  303    HE1  PHE  36           HE1      PHE  36   2.808   8.812   2.331
  304    HE2  PHE  36           HE2      PHE  36  -1.208   8.435   3.846
  305    HZ   PHE  36           HZ       PHE  36   0.347   8.936   1.976
  306    H    TRP  37           H        TRP  37   1.757  10.128   9.174
  307    HA   TRP  37           HA       TRP  37   2.603   8.616  11.564
  308   1HB   TRP  37          HB2       TRP  37   3.557  10.643  12.621
  309   2HB   TRP  37          HB3       TRP  37   4.504  10.102  11.247
  310    HD1  TRP  37           HD1      TRP  37   3.907  11.426   8.866
  311    HE1  TRP  37           HE1      TRP  37   3.339  13.902   8.448
  312    HE3  TRP  37           HE3      TRP  37   2.879  12.862  13.671
  313    HZ2  TRP  37           HZ2      TRP  37   2.531  16.200  10.013
  314    HZ3  TRP  37           HZ3      TRP  37   2.340  15.213  14.181
  315    HH2  TRP  37           HH2      TRP  37   2.114  16.890  12.365
  316    H    SER  38           H        SER  38   1.614   9.936  13.548
  317    HA   SER  38           HA       SER  38  -0.851  11.352  12.845
  318   1HB   SER  38          HB2       SER  38  -2.235   9.949  14.186
  319   2HB   SER  38          HB3       SER  38  -1.394   8.887  13.045
  320    HG   SER  38           HG       SER  38  -1.471   8.215  15.306
  321    H    ILE  39           H        ILE  39  -1.797  12.181  15.086
  322    HA   ILE  39           HA       ILE  39   0.447  12.659  16.997
  323    HB   ILE  39           HB       ILE  39  -0.634  14.616  17.773
  324   1HG1  ILE  39          HG12      ILE  39  -2.719  14.584  15.580
  325   2HG1  ILE  39          HG13      ILE  39  -3.038  13.820  17.148
  326   1HG2  ILE  39          HG21      ILE  39  -0.388  14.701  14.735
  327   2HG2  ILE  39          HG22      ILE  39  -0.264  16.082  15.830
  328   3HG2  ILE  39          HG23      ILE  39   0.946  14.791  15.902
  329   1HD1  ILE  39          HD11      ILE  39  -2.270  16.728  16.783
  330   2HD1  ILE  39          HD12      ILE  39  -3.881  16.071  17.141
  331   3HD1  ILE  39          HD13      ILE  39  -2.581  15.884  18.328
  332    H    SER  40           H        SER  40  -1.375  10.274  16.673
  333    HA   SER  40           HA       SER  40  -2.683  10.357  19.337
  334   1HB   SER  40          HB2       SER  40  -4.304   8.740  18.168
  335   2HB   SER  40          HB3       SER  40  -4.339  10.446  17.710
  336    HG   SER  40           HG       SER  40  -4.266   9.570  15.830
  337    H    CYS  41           H        CYS  41  -0.148   8.721  17.640
  338    HA   CYS  41           HA       CYS  41  -0.475   6.310  19.388
  339   1HB   CYS  41          HB2       CYS  41   0.745   6.532  16.608
  340   2HB   CYS  41          HB3       CYS  41   0.704   5.069  17.604
  341    HG   CYS  41           HG       CYS  41  -1.063   4.919  15.668
  342    H    HIS  42           H        HIS  42   1.338   5.581  20.497
  343    HA   HIS  42           HA       HIS  42   3.069   7.605  21.346
  344   1HB   HIS  42          HB2       HIS  42   2.402   5.660  22.714
  345   2HB   HIS  42          HB3       HIS  42   3.359   4.592  21.684
  346    HD1  HIS  42           HD1      HIS  42   3.892   7.461  24.247
  347    HD2  HIS  42           HD2      HIS  42   5.955   4.410  22.200
  348    HE1  HIS  42           HE1      HIS  42   6.224   7.368  25.259
  349    H    LEU  43           H        LEU  43   3.724   4.969  19.022
  350    HA   LEU  43           HA       LEU  43   6.518   5.544  18.744
  351   1HB   LEU  43          HB2       LEU  43   4.475   4.233  16.908
  352   2HB   LEU  43          HB3       LEU  43   6.122   4.515  16.359
  353    HG   LEU  43           HG       LEU  43   5.498   2.940  18.887
  354   1HD1  LEU  43          HD11      LEU  43   5.897   0.918  17.543
  355   2HD1  LEU  43          HD12      LEU  43   4.510   1.820  16.919
  356   3HD1  LEU  43          HD13      LEU  43   6.074   1.910  16.080
  357   1HD2  LEU  43          HD21      LEU  43   8.014   3.177  17.168
  358   2HD2  LEU  43          HD22      LEU  43   7.809   3.809  18.817
  359   3HD2  LEU  43          HD23      LEU  43   7.813   2.069  18.541
  360    H    CYS  44           H        CYS  44   3.637   7.046  17.221
  361    HA   CYS  44           HA       CYS  44   5.138   8.704  15.419
  362   1HB   CYS  44          HB2       CYS  44   2.466   9.349  16.722
  363   2HB   CYS  44          HB3       CYS  44   3.176  10.065  15.276
  364    HG   CYS  44           HG       CYS  44   1.081   8.335  14.881
  365    H    LYS  45           H        LYS  45   4.151   9.091  18.876
  366    HA   LYS  45           HA       LYS  45   5.112  11.789  19.058
  367   1HB   LYS  45          HB2       LYS  45   5.027   9.773  21.335
  368   2HB   LYS  45          HB3       LYS  45   5.046  11.531  21.435
  369   1HG   LYS  45          HG2       LYS  45   2.738   9.783  20.539
  370   2HG   LYS  45          HG3       LYS  45   2.838  10.841  21.938
  371   1HD   LYS  45          HD2       LYS  45   3.041  12.806  20.282
  372   2HD   LYS  45          HD3       LYS  45   2.683  11.641  18.998
  373   1HE   LYS  45          HE2       LYS  45   0.632  12.753  19.569
  374   2HE   LYS  45          HE3       LYS  45   0.515  11.084  20.119
  375   1HZ   LYS  45          HZ1       LYS  45  -0.310  12.662  21.751
  376   2HZ   LYS  45          HZ2       LYS  45   0.975  11.880  22.376
  377   3HZ   LYS  45          HZ3       LYS  45   1.127  13.422  21.847
  378    H    GLU  46           H        GLU  46   6.865   8.746  19.106
  379    HA   GLU  46           HA       GLU  46   9.303  10.000  20.206
  380   1HB   GLU  46          HB2       GLU  46   8.701   7.241  19.045
  381   2HB   GLU  46          HB3       GLU  46  10.226   7.697  19.799
  382   1HG   GLU  46          HG2       GLU  46   7.540   7.831  21.267
  383   2HG   GLU  46          HG3       GLU  46   8.553   6.396  21.229
  384    H    ALA  47           H        ALA  47   8.024   8.802  17.074
  385    HA   ALA  47           HA       ALA  47  10.374   9.409  15.554
  386   1HB   ALA  47          HB1       ALA  47   8.815   9.310  13.605
  387   2HB   ALA  47          HB2       ALA  47   8.580   7.919  14.684
  388   3HB   ALA  47          HB3       ALA  47   7.430   9.278  14.709
  389    H    MET  48           H        MET  48   7.533  11.368  16.561
  390    HA   MET  48           HA       MET  48   7.912  13.524  14.963
  391   1HB   MET  48          HB2       MET  48   6.818  13.166  17.743
  392   2HB   MET  48          HB3       MET  48   7.041  14.805  17.147
  393   1HG   MET  48          HG2       MET  48   5.519  12.724  15.543
  394   2HG   MET  48          HG3       MET  48   4.775  13.707  16.798
  395   1HE   MET  48          HE1       MET  48   7.167  14.753  13.421
  396   2HE   MET  48          HE2       MET  48   6.046  13.360  13.294
  397   3HE   MET  48          HE3       MET  48   5.659  14.904  12.510
  398    HA   PRO  49           HA       PRO  49  11.167  15.713  17.673
  399   1HB   PRO  49          HB2       PRO  49  12.606  14.092  19.461
  400   2HB   PRO  49          HB3       PRO  49  11.322  15.271  19.887
  401   1HG   PRO  49          HG2       PRO  49  11.153  12.294  19.583
  402   2HG   PRO  49          HG3       PRO  49  10.295  13.347  20.745
  403   1HD   PRO  49          HD2       PRO  49   9.100  12.359  18.494
  404   2HD   PRO  49          HD3       PRO  49   8.685  13.964  19.157
  405    H    GLN  50           H        GLN  50  11.686  12.172  16.875
  406    HA   GLN  50           HA       GLN  50  14.409  12.829  16.214
  407   1HB   GLN  50          HB2       GLN  50  13.318  10.452  16.720
  408   2HB   GLN  50          HB3       GLN  50  13.282  10.358  14.958
  409   1HG   GLN  50          HG2       GLN  50  15.829  11.338  16.298
  410   2HG   GLN  50          HG3       GLN  50  15.403   9.653  16.520
  411   1HE2  GLN  50          HE22      GLN  50  14.902   8.398  14.438
  412   2HE2  GLN  50          HE21      GLN  50  16.022   8.660  13.110
  413    H    VAL  51           H        VAL  51  11.425  12.818  14.336
  414    HA   VAL  51           HA       VAL  51  12.471  13.251  11.736
  415    HB   VAL  51           HB       VAL  51   9.889  14.125  13.098
  416   1HG1  VAL  51          HG11      VAL  51   8.945  14.635  10.940
  417   2HG1  VAL  51          HG12      VAL  51  10.297  15.720  11.265
  418   3HG1  VAL  51          HG13      VAL  51  10.512  14.367  10.138
  419   1HG2  VAL  51          HG21      VAL  51  10.328  11.615  12.531
  420   2HG2  VAL  51          HG22      VAL  51   8.826  12.355  11.971
  421   3HG2  VAL  51          HG23      VAL  51  10.177  12.112  10.847
  422    H    ASN  52           H        ASN  52  11.923  15.533  14.555
  423    HA   ASN  52           HA       ASN  52  12.617  17.838  13.052
  424   1HB   ASN  52          HB2       ASN  52  12.151  18.822  14.922
  425   2HB   ASN  52          HB3       ASN  52  12.000  17.290  15.760
  426   1HD2  ASN  52          HD22      ASN  52  13.892  16.501  17.015
  427   2HD2  ASN  52          HD21      ASN  52  15.108  17.648  17.539
  428    H    GLU  53           H        GLU  53  14.796  15.555  14.880
  429    HA   GLU  53           HA       GLU  53  17.061  17.181  14.037
  430   1HB   GLU  53          HB2       GLU  53  18.527  15.599  14.972
  431   2HB   GLU  53          HB3       GLU  53  17.224  15.931  16.108
  432   1HG   GLU  53          HG2       GLU  53  16.215  13.791  15.696
  433   2HG   GLU  53          HG3       GLU  53  17.286  13.470  14.324
  434    H    PHE  54           H        PHE  54  15.370  14.378  12.638
  435    HA   PHE  54           HA       PHE  54  17.313  13.533  10.765
  436   1HB   PHE  54          HB2       PHE  54  14.820  12.698  11.515
  437   2HB   PHE  54          HB3       PHE  54  14.393  13.503  10.036
  438    HD1  PHE  54           HD1      PHE  54  15.723  10.572  11.618
  439    HD2  PHE  54           HD2      PHE  54  15.537  12.681   7.863
  440    HE1  PHE  54           HE1      PHE  54  16.205   8.455  10.414
  441    HE2  PHE  54           HE2      PHE  54  16.051  10.582   6.674
  442    HZ   PHE  54           HZ       PHE  54  16.382   8.455   7.936
  443    H    ARG  55           H        ARG  55  14.682  15.909  10.661
  444    HA   ARG  55           HA       ARG  55  15.045  16.766   8.036
  445   1HB   ARG  55          HB2       ARG  55  13.016  17.227   9.044
  446   2HB   ARG  55          HB3       ARG  55  13.717  17.864  10.498
  447   1HG   ARG  55          HG2       ARG  55  13.740  19.332   7.818
  448   2HG   ARG  55          HG3       ARG  55  12.486  19.496   9.040
  449   1HD   ARG  55          HD2       ARG  55  15.327  20.491   9.162
  450   2HD   ARG  55          HD3       ARG  55  13.834  21.376   9.372
  451    HE   ARG  55           HE       ARG  55  14.854  19.326  11.307
  452   1HH1  ARG  55          HH22      ARG  55  13.052  22.413  10.905
  453   2HH1  ARG  55          HH21      ARG  55  12.831  22.526  12.613
  454   1HH2  ARG  55          HH12      ARG  55  14.790  19.814  13.513
  455   2HH2  ARG  55          HH11      ARG  55  13.972  21.251  14.075
  456    H    ASP  56           H        ASP  56  16.634  18.051  11.041
  457    HA   ASP  56           HA       ASP  56  17.866  20.198   9.468
  458   1HB   ASP  56          HB2       ASP  56  17.415  20.488  11.829
  459   2HB   ASP  56          HB3       ASP  56  18.431  19.091  12.226
  460    H    LYS  57           H        LYS  57  18.811  17.066  10.770
  461    HA   LYS  57           HA       LYS  57  21.552  17.136  10.277
  462   1HB   LYS  57          HB2       LYS  57  20.340  15.744  11.858
  463   2HB   LYS  57          HB3       LYS  57  19.530  14.897  10.515
  464   1HG   LYS  57          HG2       LYS  57  21.540  13.728   9.970
  465   2HG   LYS  57          HG3       LYS  57  22.498  14.706  11.092
  466   1HD   LYS  57          HD2       LYS  57  21.789  12.386  11.929
  467   2HD   LYS  57          HD3       LYS  57  21.491  13.747  13.011
  468   1HE   LYS  57          HE2       LYS  57  19.113  13.790  12.445
  469   2HE   LYS  57          HE3       LYS  57  19.353  12.564  11.196
  470   1HZ   LYS  57          HZ1       LYS  57  18.463  11.554  13.186
  471   2HZ   LYS  57          HZ2       LYS  57  20.000  11.018  12.922
  472   3HZ   LYS  57          HZ3       LYS  57  19.661  12.147  14.113
  473    H    TYR  58           H        TYR  58  18.852  16.194   8.135
  474    HA   TYR  58           HA       TYR  58  20.847  15.561   6.014
  475   1HB   TYR  58          HB2       TYR  58  18.167  14.236   6.503
  476   2HB   TYR  58          HB3       TYR  58  19.287  13.874   5.198
  477    HD1  TYR  58           HD1      TYR  58  18.254  12.771   8.362
  478    HD2  TYR  58           HD2      TYR  58  21.789  13.288   5.947
  479    HE1  TYR  58           HE1      TYR  58  19.441  11.091   9.747
  480    HE2  TYR  58           HE2      TYR  58  23.001  11.659   7.360
  481    HH   TYR  58           HH       TYR  58  21.531  10.248  10.322
  482    H    GLN  59           H        GLN  59  18.430  17.944   6.660
  483    HA   GLN  59           HA       GLN  59  17.206  18.121   4.210
  484   1HB   GLN  59          HB2       GLN  59  17.122  20.625   4.501
  485   2HB   GLN  59          HB3       GLN  59  16.458  19.647   5.780
  486   1HG   GLN  59          HG2       GLN  59  17.648  21.580   6.672
  487   2HG   GLN  59          HG3       GLN  59  18.379  20.092   7.212
  488   1HE2  GLN  59          HE22      GLN  59  20.554  20.200   7.331
  489   2HE2  GLN  59          HE21      GLN  59  21.578  21.103   6.228
  490    H    ASP  60           H        ASP  60  20.573  18.655   4.631
  491    HA   ASP  60           HA       ASP  60  20.990  20.176   2.177
  492   1HB   ASP  60          HB2       ASP  60  22.445  20.376   4.170
  493   2HB   ASP  60          HB3       ASP  60  22.928  18.689   3.994
  494    H    GLN  61           H        GLN  61  20.297  16.901   2.763
  495    HA   GLN  61           HA       GLN  61  21.624  15.950   0.256
  496   1HB   GLN  61          HB2       GLN  61  21.539  14.605   2.989
  497   2HB   GLN  61          HB3       GLN  61  22.257  13.931   1.524
  498   1HG   GLN  61          HG2       GLN  61  23.922  15.786   1.488
  499   2HG   GLN  61          HG3       GLN  61  23.263  16.387   3.013
  500   1HE2  GLN  61          HE22      GLN  61  23.704  15.238   4.988
  501   2HE2  GLN  61          HE21      GLN  61  24.859  13.932   5.045
  502    H    LEU  62           H        LEU  62  18.749  16.026   2.195
  503    HA   LEU  62           HA       LEU  62  17.432  13.856   0.658
  504   1HB   LEU  62          HB2       LEU  62  18.394  12.931   2.793
  505   2HB   LEU  62          HB3       LEU  62  17.615  14.244   3.672
  506    HG   LEU  62           HG       LEU  62  15.358  13.303   2.897
  507   1HD1  LEU  62          HD11      LEU  62  17.077  10.854   2.288
  508   2HD1  LEU  62          HD12      LEU  62  15.305  10.931   2.282
  509   3HD1  LEU  62          HD13      LEU  62  16.231  11.833   1.075
  510   1HD2  LEU  62          HD21      LEU  62  16.205  13.104   5.170
  511   2HD2  LEU  62          HD22      LEU  62  15.389  11.602   4.681
  512   3HD2  LEU  62          HD23      LEU  62  17.165  11.691   4.713
  513    H    ASN  63           H        ASN  63  15.264  14.297   0.369
  514    HA   ASN  63           HA       ASN  63  14.172  16.874   1.415
  515   1HB   ASN  63          HB2       ASN  63  13.064  14.967  -0.697
  516   2HB   ASN  63          HB3       ASN  63  12.354  16.490  -0.185
  517   1HD2  ASN  63          HD21      ASN  63  15.153  15.005  -1.833
  518   2HD2  ASN  63          HD22      ASN  63  15.491  16.416  -2.809
  519    H    VAL  64           H        VAL  64  13.468  16.402   3.567
  520    HA   VAL  64           HA       VAL  64  11.907  13.940   4.009
  521    HB   VAL  64           HB       VAL  64  11.801  16.200   5.992
  522   1HG1  VAL  64          HG11      VAL  64  10.647  13.936   6.239
  523   2HG1  VAL  64          HG12      VAL  64  12.249  13.193   6.316
  524   3HG1  VAL  64          HG13      VAL  64  11.744  14.355   7.565
  525   1HG2  VAL  64          HG21      VAL  64  14.301  14.507   5.573
  526   2HG2  VAL  64          HG22      VAL  64  14.187  16.285   5.647
  527   3HG2  VAL  64          HG23      VAL  64  13.889  15.316   7.095
  528    H    VAL  65           H        VAL  65   9.650  13.888   3.886
  529    HA   VAL  65           HA       VAL  65   8.107  16.345   3.952
  530    HB   VAL  65           HB       VAL  65   8.555  16.193   1.569
  531   1HG1  VAL  65          HG11      VAL  65   9.143  13.823   1.318
  532   2HG1  VAL  65          HG12      VAL  65   7.454  13.370   1.629
  533   3HG1  VAL  65          HG13      VAL  65   7.883  14.284   0.170
  534   1HG2  VAL  65          HG21      VAL  65   5.715  15.201   1.980
  535   2HG2  VAL  65          HG22      VAL  65   6.257  16.872   2.245
  536   3HG2  VAL  65          HG23      VAL  65   6.350  16.157   0.631
  537    H    ALA  66           H        ALA  66   5.810  15.775   4.501
  538    HA   ALA  66           HA       ALA  66   5.524  12.954   5.374
  539   1HB   ALA  66          HB1       ALA  66   6.598  14.459   7.130
  540   2HB   ALA  66          HB2       ALA  66   5.008  15.234   7.296
  541   3HB   ALA  66          HB3       ALA  66   5.217  13.491   7.616
  542    H    VAL  67           H        VAL  67   3.478  12.396   6.260
  543    HA   VAL  67           HA       VAL  67   1.184  13.965   5.220
  544    HB   VAL  67           HB       VAL  67   1.645  10.977   4.818
  545   1HG1  VAL  67          HG11      VAL  67  -0.378  11.227   3.337
  546   2HG1  VAL  67          HG12      VAL  67  -0.715  11.556   5.038
  547   3HG1  VAL  67          HG13      VAL  67  -0.524  12.904   3.902
  548   1HG2  VAL  67          HG21      VAL  67   1.764  11.561   2.367
  549   2HG2  VAL  67          HG22      VAL  67   1.904  13.272   2.830
  550   3HG2  VAL  67          HG23      VAL  67   3.158  12.104   3.297
  551    H    HIS  68           H        HIS  68   0.008  14.394   7.045
  552    HA   HIS  68           HA       HIS  68   0.195  12.609   9.402
  553   1HB   HIS  68          HB2       HIS  68  -0.104  15.079   9.707
  554   2HB   HIS  68          HB3       HIS  68  -1.625  14.980   8.813
  555    HD1  HIS  68           HD1      HIS  68  -3.641  13.567  10.058
  556    HD2  HIS  68           HD2      HIS  68  -0.113  14.209  12.256
  557    HE1  HIS  68           HE1      HIS  68  -4.174  12.934  12.461
  558    H    MET  69           H        MET  69  -1.055  10.758   9.473
  559    HA   MET  69           HA       MET  69  -3.265  10.420   7.535
  560   1HB   MET  69          HB2       MET  69  -1.617   8.597   7.908
  561   2HB   MET  69          HB3       MET  69  -2.130   8.502   9.597
  562   1HG   MET  69          HG2       MET  69  -4.462   8.024   8.834
  563   2HG   MET  69          HG3       MET  69  -3.918   8.114   7.155
  564   1HE   MET  69          HE1       MET  69  -4.939   5.704   6.552
  565   2HE   MET  69          HE2       MET  69  -4.794   4.332   7.673
  566   3HE   MET  69          HE3       MET  69  -5.631   5.809   8.192
  567    HA   PRO  70           HA       PRO  70  -5.777  11.822  11.110
  568   1HB   PRO  70          HB2       PRO  70  -8.179  12.058   9.870
  569   2HB   PRO  70          HB3       PRO  70  -6.901  13.314   9.790
  570   1HG   PRO  70          HG2       PRO  70  -7.546  11.171   7.733
  571   2HG   PRO  70          HG3       PRO  70  -7.229  12.908   7.449
  572   1HD   PRO  70          HD2       PRO  70  -5.314  10.963   7.161
  573   2HD   PRO  70          HD3       PRO  70  -4.928  12.631   7.695
  574    H    ARG  71           H        ARG  71  -6.564  10.350  12.429
  575    HA   ARG  71           HA       ARG  71  -7.375   7.638  11.457
  576   1HB   ARG  71          HB2       ARG  71  -4.955   7.804  11.835
  577   2HB   ARG  71          HB3       ARG  71  -5.231   8.534  13.406
  578   1HG   ARG  71          HG2       ARG  71  -6.459   6.358  14.082
  579   2HG   ARG  71          HG3       ARG  71  -5.793   5.658  12.592
  580   1HD   ARG  71          HD2       ARG  71  -3.528   6.192  13.359
  581   2HD   ARG  71          HD3       ARG  71  -4.163   7.040  14.773
  582    HE   ARG  71           HE       ARG  71  -3.860   4.173  14.401
  583   1HH1  ARG  71          HH21      ARG  71  -5.697   6.628  16.275
  584   2HH1  ARG  71          HH22      ARG  71  -5.910   5.588  17.627
  585   1HH2  ARG  71          HH11      ARG  71  -4.220   2.816  16.209
  586   2HH2  ARG  71          HH12      ARG  71  -5.091   3.381  17.580
  587    H    SER  72           H        SER  72  -7.452  10.155  14.040
  588    HA   SER  72           HA       SER  72  -9.734   8.755  15.336
  589   1HB   SER  72          HB2       SER  72  -7.684   9.828  17.169
  590   2HB   SER  72          HB3       SER  72  -8.568   8.298  17.241
  591    HG   SER  72           HG       SER  72  -6.251   9.011  15.783
  592    H    GLU  73           H        GLU  73 -10.860  10.188  16.913
  593    HA   GLU  73           HA       GLU  73 -11.194  12.856  16.016
  594   1HB   GLU  73          HB2       GLU  73 -12.880  11.562  17.171
  595   2HB   GLU  73          HB3       GLU  73 -11.926  11.583  18.668
  596   1HG   GLU  73          HG2       GLU  73 -12.171  14.036  18.799
  597   2HG   GLU  73          HG3       GLU  73 -13.005  14.057  17.240
  598    H    ASP  74           H        ASP  74  -8.930  11.475  18.317
  599    HA   ASP  74           HA       ASP  74  -8.076  13.901  19.556
  600   1HB   ASP  74          HB2       ASP  74  -7.727  11.530  20.386
  601   2HB   ASP  74          HB3       ASP  74  -6.486  11.338  19.144
  602    H    ASP  75           H        ASP  75  -7.610  12.881  16.305
  603    HA   ASP  75           HA       ASP  75  -5.227  14.629  15.997
  604   1HB   ASP  75          HB2       ASP  75  -4.097  12.945  14.717
  605   2HB   ASP  75          HB3       ASP  75  -4.510  12.291  16.299
  606    H    LEU  76           H        LEU  76  -8.262  13.658  14.648
  607    HA   LEU  76           HA       LEU  76  -7.585  13.958  11.953
  608   1HB   LEU  76          HB2       LEU  76  -9.954  13.721  11.497
  609   2HB   LEU  76          HB3       LEU  76  -9.388  12.601  12.720
  610    HG   LEU  76           HG       LEU  76 -10.377  14.161  14.484
  611   1HD1  LEU  76          HD11      LEU  76 -12.312  15.571  13.718
  612   2HD1  LEU  76          HD12      LEU  76 -10.744  16.243  13.308
  613   3HD1  LEU  76          HD13      LEU  76 -11.706  15.427  12.054
  614   1HD2  LEU  76          HD21      LEU  76 -11.426  12.034  13.744
  615   2HD2  LEU  76          HD22      LEU  76 -12.640  13.242  14.170
  616   3HD2  LEU  76          HD23      LEU  76 -12.284  12.907  12.458
  617    H    ASP  77           H        ASP  77  -7.472  16.507  13.943
  618    HA   ASP  77           HA       ASP  77  -8.823  18.429  12.095
  619   1HB   ASP  77          HB2       ASP  77  -9.813  18.346  14.318
  620   2HB   ASP  77          HB3       ASP  77  -8.234  18.689  15.036
  621    HA   PRO  78           HA       PRO  78  -4.578  19.568  11.180
  622   1HB   PRO  78          HB2       PRO  78  -5.823  22.038  10.065
  623   2HB   PRO  78          HB3       PRO  78  -4.567  20.936   9.385
  624   1HG   PRO  78          HG2       PRO  78  -7.173  20.812   8.574
  625   2HG   PRO  78          HG3       PRO  78  -6.172  19.330   8.782
  626   1HD   PRO  78          HD2       PRO  78  -8.265  20.468  10.635
  627   2HD   PRO  78          HD3       PRO  78  -7.915  18.764  10.210
  628    H    GLY  79           H        GLY  79  -6.639  21.502  13.289
  629   1HA   GLY  79          HA2       GLY  79  -4.656  23.621  13.742
  630   2HA   GLY  79          HA3       GLY  79  -6.170  23.320  14.628
  631    H    LYS  80           H        LYS  80  -5.840  20.585  15.241
  632    HA   LYS  80           HA       LYS  80  -4.090  20.625  17.532
  633   1HB   LYS  80          HB2       LYS  80  -5.099  18.193  15.997
  634   2HB   LYS  80          HB3       LYS  80  -4.472  18.229  17.644
  635   1HG   LYS  80          HG2       LYS  80  -6.412  19.391  18.466
  636   2HG   LYS  80          HG3       LYS  80  -7.039  19.647  16.822
  637   1HD   LYS  80          HD2       LYS  80  -7.158  17.209  16.461
  638   2HD   LYS  80          HD3       LYS  80  -6.560  16.910  18.091
  639   1HE   LYS  80          HE2       LYS  80  -9.172  18.335  17.384
  640   2HE   LYS  80          HE3       LYS  80  -9.034  16.636  17.847
  641   1HZ   LYS  80          HZ1       LYS  80  -8.188  17.362  20.012
  642   2HZ   LYS  80          HZ2       LYS  80  -8.365  18.936  19.595
  643   3HZ   LYS  80          HZ3       LYS  80  -9.670  17.974  19.728
  644    H    ILE  81           H        ILE  81  -3.841  19.256  14.227
  645    HA   ILE  81           HA       ILE  81  -1.332  18.015  14.562
  646    HB   ILE  81           HB       ILE  81  -2.627  19.133  12.048
  647   1HG1  ILE  81          HG12      ILE  81  -2.578  16.267  13.090
  648   2HG1  ILE  81          HG13      ILE  81  -3.925  17.349  13.354
  649   1HG2  ILE  81          HG21      ILE  81  -0.134  18.699  11.795
  650   2HG2  ILE  81          HG22      ILE  81  -0.422  17.022  12.282
  651   3HG2  ILE  81          HG23      ILE  81  -1.118  17.661  10.777
  652   1HD1  ILE  81          HD11      ILE  81  -4.310  17.562  10.918
  653   2HD1  ILE  81          HD12      ILE  81  -2.967  16.459  10.606
  654   3HD1  ILE  81          HD13      ILE  81  -4.408  15.898  11.461
  655    H    LYS  82           H        LYS  82  -1.979  21.290  12.994
  656    HA   LYS  82           HA       LYS  82   0.618  22.097  12.884
  657   1HB   LYS  82          HB2       LYS  82  -1.322  23.286  11.920
  658   2HB   LYS  82          HB3       LYS  82  -1.873  23.745  13.528
  659   1HG   LYS  82          HG2       LYS  82  -0.764  25.586  12.328
  660   2HG   LYS  82          HG3       LYS  82   0.054  25.201  13.847
  661   1HD   LYS  82          HD2       LYS  82   1.776  23.925  12.626
  662   2HD   LYS  82          HD3       LYS  82   0.955  24.213  11.105
  663   1HE   LYS  82          HE2       LYS  82   2.165  26.343  12.943
  664   2HE   LYS  82          HE3       LYS  82   2.944  25.692  11.502
  665   1HZ   LYS  82          HZ1       LYS  82   1.894  27.795  11.033
  666   2HZ   LYS  82          HZ2       LYS  82   1.138  26.640  10.172
  667   3HZ   LYS  82          HZ3       LYS  82   0.433  27.266  11.512
  668    H    GLU  83           H        GLU  83  -1.507  22.589  15.807
  669    HA   GLU  83           HA       GLU  83   0.491  24.058  17.203
  670   1HB   GLU  83          HB2       GLU  83  -1.885  22.396  18.132
  671   2HB   GLU  83          HB3       GLU  83  -0.860  23.273  19.264
  672   1HG   GLU  83          HG2       GLU  83  -2.320  24.612  16.945
  673   2HG   GLU  83          HG3       GLU  83  -2.962  24.479  18.577
  674    H    THR  84           H        THR  84  -0.073  20.566  16.943
  675    HA   THR  84           HA       THR  84   1.846  19.787  18.955
  676    HB   THR  84           HB       THR  84   0.495  18.365  16.606
  677    HG1  THR  84           HG1      THR  84  -1.030  18.951  17.951
  678   1HG2  THR  84          HG21      THR  84   0.905  16.290  17.998
  679   2HG2  THR  84          HG22      THR  84   2.287  16.990  17.145
  680   3HG2  THR  84          HG23      THR  84   2.092  17.246  18.909
  681    H    ALA  85           H        ALA  85   1.937  19.743  15.360
  682    HA   ALA  85           HA       ALA  85   4.576  18.996  14.924
  683   1HB   ALA  85          HB1       ALA  85   2.900  19.166  13.176
  684   2HB   ALA  85          HB2       ALA  85   2.772  20.927  13.395
  685   3HB   ALA  85          HB3       ALA  85   4.261  20.229  12.750
  686    H    ALA  86           H        ALA  86   3.310  22.315  15.428
  687    HA   ALA  86           HA       ALA  86   5.658  23.776  15.035
  688   1HB   ALA  86          HB1       ALA  86   3.392  24.756  15.331
  689   2HB   ALA  86          HB2       ALA  86   3.419  24.270  17.048
  690   3HB   ALA  86          HB3       ALA  86   4.560  25.490  16.450
  691    H    GLU  87           H        GLU  87   4.768  21.758  17.769
  692    HA   GLU  87           HA       GLU  87   6.780  22.994  19.567
  693   1HB   GLU  87          HB2       GLU  87   4.522  20.988  19.888
  694   2HB   GLU  87          HB3       GLU  87   5.770  21.154  21.128
  695   1HG   GLU  87          HG2       GLU  87   4.037  23.450  20.108
  696   2HG   GLU  87          HG3       GLU  87   3.670  22.481  21.529
  697    H    HIS  88           H        HIS  88   6.087  19.943  17.803
  698    HA   HIS  88           HA       HIS  88   8.536  18.659  18.529
  699   1HB   HIS  88          HB2       HIS  88   6.716  18.283  16.120
  700   2HB   HIS  88          HB3       HIS  88   8.007  17.181  16.605
  701    HD1  HIS  88           HD1      HIS  88   7.522  16.900  19.692
  702    HD2  HIS  88           HD2      HIS  88   4.513  17.053  16.749
  703    HE1  HIS  88           HE1      HIS  88   5.476  15.811  20.711
  704    H    ASP  89           H        ASP  89   8.081  21.374  16.427
  705    HA   ASP  89           HA       ASP  89   9.648  22.699  15.565
  706   1HB   ASP  89          HB2       ASP  89  11.219  21.735  17.340
  707   2HB   ASP  89          HB3       ASP  89  11.829  20.646  16.093
  708    H    ILE  90           H        ILE  90   8.376  20.142  14.191
  709    HA   ILE  90           HA       ILE  90  10.175  19.640  11.999
  710    HB   ILE  90           HB       ILE  90   8.317  18.354  11.072
  711   1HG1  ILE  90          HG12      ILE  90   6.670  19.467  13.387
  712   2HG1  ILE  90          HG13      ILE  90   6.349  19.627  11.657
  713   1HG2  ILE  90          HG21      ILE  90   8.653  17.806  14.054
  714   2HG2  ILE  90          HG22      ILE  90   8.391  16.630  12.754
  715   3HG2  ILE  90          HG23      ILE  90   9.916  17.509  12.848
  716   1HD1  ILE  90          HD11      ILE  90   4.854  17.969  12.424
  717   2HD1  ILE  90          HD12      ILE  90   6.143  17.064  11.611
  718   3HD1  ILE  90          HD13      ILE  90   6.105  17.192  13.393
  719    H    THR  91           H        THR  91  10.633  21.004  10.430
  720    HA   THR  91           HA       THR  91   8.614  23.003   9.543
  721    HB   THR  91           HB       THR  91  10.553  24.401   8.957
  722    HG1  THR  91           HG1      THR  91  12.258  23.175   8.718
  723   1HG2  THR  91          HG21      THR  91   9.455  24.695  11.143
  724   2HG2  THR  91          HG22      THR  91  10.492  23.471  11.872
  725   3HG2  THR  91          HG23      THR  91  11.201  24.978  11.264
  726    H    GLN  92           H        GLN  92   9.871  20.114   8.543
  727    HA   GLN  92           HA       GLN  92  10.361  20.392   5.767
  728   1HB   GLN  92          HB2       GLN  92   9.546  18.023   5.707
  729   2HB   GLN  92          HB3       GLN  92  10.772  18.289   6.947
  730   1HG   GLN  92          HG2       GLN  92   9.139  18.240   8.716
  731   2HG   GLN  92          HG3       GLN  92   7.790  18.361   7.590
  732   1HE2  GLN  92          HE22      GLN  92   7.710  16.404   9.520
  733   2HE2  GLN  92          HE21      GLN  92   7.912  14.843   8.753
  734    HA   PRO  93           HA       PRO  93   6.157  21.175   4.226
  735   1HB   PRO  93          HB2       PRO  93   6.072  19.531   1.976
  736   2HB   PRO  93          HB3       PRO  93   6.856  21.142   2.029
  737   1HG   PRO  93          HG2       PRO  93   8.131  18.415   2.332
  738   2HG   PRO  93          HG3       PRO  93   8.709  19.808   1.367
  739   1HD   PRO  93          HD2       PRO  93   9.730  19.245   3.812
  740   2HD   PRO  93          HD3       PRO  93   9.472  20.935   3.298
  741    H    ILE  94           H        ILE  94   4.116  20.207   4.665
  742    HA   ILE  94           HA       ILE  94   3.986  17.298   5.180
  743    HB   ILE  94           HB       ILE  94   3.199  19.504   7.142
  744   1HG1  ILE  94          HG12      ILE  94   5.408  17.429   7.241
  745   2HG1  ILE  94          HG13      ILE  94   5.521  19.186   7.275
  746   1HG2  ILE  94          HG21      ILE  94   2.850  16.508   7.534
  747   2HG2  ILE  94          HG22      ILE  94   2.387  17.833   8.647
  748   3HG2  ILE  94          HG23      ILE  94   1.536  17.641   7.146
  749   1HD1  ILE  94          HD11      ILE  94   4.462  19.206   9.533
  750   2HD1  ILE  94          HD12      ILE  94   4.570  17.422   9.536
  751   3HD1  ILE  94          HD13      ILE  94   6.040  18.398   9.448
  752    H    PHE  95           H        PHE  95   1.825  16.544   4.699
  753    HA   PHE  95           HA       PHE  95  -0.200  18.658   4.405
  754   1HB   PHE  95          HB2       PHE  95  -1.135  17.819   2.371
  755   2HB   PHE  95          HB3       PHE  95   0.487  18.408   2.153
  756    HD1  PHE  95           HD1      PHE  95  -1.302  15.124   2.762
  757    HD2  PHE  95           HD2      PHE  95   1.868  17.203   0.704
  758    HE1  PHE  95           HE1      PHE  95  -0.884  13.122   1.336
  759    HE2  PHE  95           HE2      PHE  95   2.250  15.212  -0.714
  760    HZ   PHE  95           HZ       PHE  95   0.785  13.184  -0.450
  761    H    VAL  96           H        VAL  96  -2.351  17.928   4.402
  762    HA   VAL  96           HA       VAL  96  -2.937  15.378   5.746
  763    HB   VAL  96           HB       VAL  96  -4.257  17.983   6.589
  764   1HG1  VAL  96          HG11      VAL  96  -3.914  15.304   7.988
  765   2HG1  VAL  96          HG12      VAL  96  -4.871  16.688   8.573
  766   3HG1  VAL  96          HG13      VAL  96  -5.354  15.834   7.097
  767   1HG2  VAL  96          HG21      VAL  96  -2.873  18.131   8.622
  768   2HG2  VAL  96          HG22      VAL  96  -1.768  16.901   7.948
  769   3HG2  VAL  96          HG23      VAL  96  -1.946  18.462   7.161
  770    H    ASP  97           H        ASP  97  -4.920  14.593   4.867
  771    HA   ASP  97           HA       ASP  97  -6.660  16.410   3.330
  772   1HB   ASP  97          HB2       ASP  97  -4.750  15.525   1.859
  773   2HB   ASP  97          HB3       ASP  97  -5.445  13.922   2.107
  774    H    SER  98           H        SER  98  -8.676  15.385   2.763
  775    HA   SER  98           HA       SER  98  -9.705  13.490   4.655
  776   1HB   SER  98          HB2       SER  98 -11.679  13.664   2.951
  777   2HB   SER  98          HB3       SER  98 -11.224  15.076   3.918
  778    HG   SER  98           HG       SER  98 -11.524  15.579   1.695
  779    H    ASP  99           H        ASP  99  -7.992  13.115   1.599
  780    HA   ASP  99           HA       ASP  99  -8.773  10.229   1.514
  781   1HB   ASP  99          HB2       ASP  99  -9.956  11.528  -0.193
  782   2HB   ASP  99          HB3       ASP  99  -8.436  12.205  -0.771
  783    H    HIS 100           H        HIS 100  -6.295  12.598   0.413
  784    HA   HIS 100           HA       HIS 100  -4.141  12.606   0.160
  785   1HB   HIS 100          HB2       HIS 100  -3.949   9.870   1.472
  786   2HB   HIS 100          HB3       HIS 100  -2.599  10.831   0.907
  787    HD1  HIS 100           HD1      HIS 100  -4.207  10.170   4.038
  788    HD2  HIS 100           HD2      HIS 100  -2.873  13.603   2.002
  789    HE1  HIS 100           HE1      HIS 100  -3.860  11.975   5.803
  790    H    ALA 101           H        ALA 101  -3.080  12.394  -1.723
  791    HA   ALA 101           HA       ALA 101  -4.421  10.802  -3.741
  792   1HB   ALA 101          HB1       ALA 101  -2.805  11.756  -5.235
  793   2HB   ALA 101          HB2       ALA 101  -3.380  13.006  -4.129
  794   3HB   ALA 101          HB3       ALA 101  -1.769  12.266  -3.865
  795    H    LEU 102           H        LEU 102  -2.018  10.080  -1.448
  796    HA   LEU 102           HA       LEU 102  -0.617   8.020  -3.031
  797   1HB   LEU 102          HB2       LEU 102  -0.496   8.786  -0.115
  798   2HB   LEU 102          HB3       LEU 102  -0.305   7.075  -0.499
  799    HG   LEU 102           HG       LEU 102   1.349   7.925  -2.353
  800   1HD1  LEU 102          HD11      LEU 102   0.987  10.353  -1.840
  801   2HD1  LEU 102          HD12      LEU 102   1.639  10.092  -0.211
  802   3HD1  LEU 102          HD13      LEU 102   2.678   9.870  -1.635
  803   1HD2  LEU 102          HD21      LEU 102   2.069   7.619   0.567
  804   2HD2  LEU 102          HD22      LEU 102   2.001   6.363  -0.670
  805   3HD2  LEU 102          HD23      LEU 102   3.242   7.620  -0.770
  806    H    THR 103           H        THR 103  -3.468   8.166  -0.854
  807    HA   THR 103           HA       THR 103  -3.835   5.389  -0.666
  808    HB   THR 103           HB       THR 103  -5.967   7.452  -0.867
  809    HG1  THR 103           HG1      THR 103  -5.403   8.314   0.978
  810   1HG2  THR 103          HG21      THR 103  -6.752   5.132  -0.330
  811   2HG2  THR 103          HG22      THR 103  -5.725   5.154   1.132
  812   3HG2  THR 103          HG23      THR 103  -7.086   6.271   0.979
  813    H    ASP 104           H        ASP 104  -4.304   7.577  -3.426
  814    HA   ASP 104           HA       ASP 104  -6.190   5.771  -4.733
  815   1HB   ASP 104          HB2       ASP 104  -6.035   8.275  -5.224
  816   2HB   ASP 104          HB3       ASP 104  -4.420   7.981  -5.888
  817    H    ALA 105           H        ALA 105  -2.832   5.870  -4.190
  818    HA   ALA 105           HA       ALA 105  -2.281   4.077  -6.540
  819   1HB   ALA 105          HB1       ALA 105   0.006   4.868  -6.412
  820   2HB   ALA 105          HB2       ALA 105  -1.085   6.261  -6.516
  821   3HB   ALA 105          HB3       ALA 105  -0.354   5.818  -4.953
  822    H    PHE 106           H        PHE 106  -2.218   4.360  -3.032
  823    HA   PHE 106           HA       PHE 106  -0.960   1.663  -2.817
  824   1HB   PHE 106          HB2       PHE 106   0.245   4.079  -2.260
  825   2HB   PHE 106          HB3       PHE 106  -0.450   3.712  -0.704
  826    HD1  PHE 106           HD1      PHE 106   0.072   0.518  -1.007
  827    HD2  PHE 106           HD2      PHE 106   2.488   4.059  -1.544
  828    HE1  PHE 106           HE1      PHE 106   2.106  -0.798  -0.577
  829    HE2  PHE 106           HE2      PHE 106   4.523   2.722  -1.117
  830    HZ   PHE 106           HZ       PHE 106   4.344   0.284  -0.647
  831    H    GLU 107           H        GLU 107  -3.801   3.443  -2.196
  832    HA   GLU 107           HA       GLU 107  -5.505   3.224  -0.705
  833   1HB   GLU 107          HB2       GLU 107  -4.587   0.431  -1.300
  834   2HB   GLU 107          HB3       GLU 107  -6.095   0.767  -0.411
  835   1HG   GLU 107          HG2       GLU 107  -6.890   2.142  -2.315
  836   2HG   GLU 107          HG3       GLU 107  -5.416   1.758  -3.210
  837    H    ASN 108           H        ASN 108  -3.378   4.151   0.554
  838    HA   ASN 108           HA       ASN 108  -2.124   3.245   2.658
  839   1HB   ASN 108          HB2       ASN 108  -1.816   5.506   2.142
  840   2HB   ASN 108          HB3       ASN 108  -3.533   5.854   2.213
  841   1HD2  ASN 108          HD22      ASN 108  -0.962   4.657   4.547
  842   2HD2  ASN 108          HD21      ASN 108  -1.632   5.532   5.898
  843    H    GLU 109           H        GLU 109  -2.466   2.059   4.319
  844    HA   GLU 109           HA       GLU 109  -4.565   2.656   6.255
  845   1HB   GLU 109          HB2       GLU 109  -5.469   0.955   4.553
  846   2HB   GLU 109          HB3       GLU 109  -4.273  -0.181   5.172
  847   1HG   GLU 109          HG2       GLU 109  -5.311   0.069   7.461
  848   2HG   GLU 109          HG3       GLU 109  -6.455   1.226   6.792
  849    H    TYR 110           H        TYR 110  -1.861   3.312   6.397
  850    HA   TYR 110           HA       TYR 110  -0.625   1.467   8.269
  851   1HB   TYR 110          HB2       TYR 110   1.488   1.813   6.990
  852   2HB   TYR 110          HB3       TYR 110   0.284   0.802   6.196
  853    HD1  TYR 110           HD1      TYR 110   1.592   4.355   6.131
  854    HD2  TYR 110           HD2      TYR 110  -0.192   1.108   3.925
  855    HE1  TYR 110           HE1      TYR 110   1.728   5.700   4.078
  856    HE2  TYR 110           HE2      TYR 110   0.025   2.411   1.839
  857    HH   TYR 110           HH       TYR 110   0.691   4.431   0.877
  858    H    VAL 111           H        VAL 111   0.327   2.586   9.794
  859    HA   VAL 111           HA       VAL 111   1.639   5.061   9.567
  860    HB   VAL 111           HB       VAL 111  -0.633   6.027   9.456
  861   1HG1  VAL 111          HG11      VAL 111  -2.233   5.987  11.232
  862   2HG1  VAL 111          HG12      VAL 111  -1.907   4.320  10.741
  863   3HG1  VAL 111          HG13      VAL 111  -1.193   4.964  12.241
  864   1HG2  VAL 111          HG21      VAL 111  -0.448   7.702  11.129
  865   2HG2  VAL 111          HG22      VAL 111   0.708   6.726  12.058
  866   3HG2  VAL 111          HG23      VAL 111   1.114   7.287  10.406
  867    HA   PRO 112           HA       PRO 112   2.976   6.262  10.851
  868   1HB   PRO 112          HB2       PRO 112   5.421   6.165  12.091
  869   2HB   PRO 112          HB3       PRO 112   3.997   6.969  12.791
  870   1HG   PRO 112          HG2       PRO 112   5.068   4.201  13.377
  871   2HG   PRO 112          HG3       PRO 112   4.482   5.430  14.540
  872   1HD   PRO 112          HD2       PRO 112   2.921   3.338  13.700
  873   2HD   PRO 112          HD3       PRO 112   2.225   4.952  14.046
  874    H    ALA 113           H        ALA 113   4.460   6.201   9.067
  875    HA   ALA 113           HA       ALA 113   5.896   3.653   8.586
  876   1HB   ALA 113          HB1       ALA 113   4.810   3.323   6.388
  877   2HB   ALA 113          HB2       ALA 113   3.640   3.173   7.724
  878   3HB   ALA 113          HB3       ALA 113   3.698   4.661   6.757
  879    H    TYR 114           H        TYR 114   7.420   3.762   6.862
  880    HA   TYR 114           HA       TYR 114   8.145   6.547   6.056
  881   1HB   TYR 114          HB2       TYR 114  10.346   4.737   6.900
  882   2HB   TYR 114          HB3       TYR 114  10.140   6.459   7.126
  883    HD1  TYR 114           HD1      TYR 114   9.747   3.149   8.582
  884    HD2  TYR 114           HD2      TYR 114   8.715   7.299   9.074
  885    HE1  TYR 114           HE1      TYR 114   8.978   2.675  10.883
  886    HE2  TYR 114           HE2      TYR 114   7.903   6.839  11.363
  887    HH   TYR 114           HH       TYR 114   7.582   5.216  13.008
  888    H    TYR 115           H        TYR 115   8.977   6.719   4.028
  889    HA   TYR 115           HA       TYR 115   9.474   4.252   2.418
  890   1HB   TYR 115          HB2       TYR 115   7.739   6.685   1.788
  891   2HB   TYR 115          HB3       TYR 115   8.188   5.437   0.632
  892    HD1  TYR 115           HD1      TYR 115   7.074   3.326   0.556
  893    HD2  TYR 115           HD2      TYR 115   6.140   6.167   3.660
  894    HE1  TYR 115           HE1      TYR 115   5.148   1.933   1.242
  895    HE2  TYR 115           HE2      TYR 115   4.177   4.810   4.317
  896    HH   TYR 115           HH       TYR 115   2.937   2.853   3.894
  897    H    VAL 116           H        VAL 116  11.445   4.441   1.412
  898    HA   VAL 116           HA       VAL 116  12.706   7.156   1.395
  899    HB   VAL 116           HB       VAL 116  14.146   4.473   1.453
  900   1HG1  VAL 116          HG11      VAL 116  15.010   7.324   2.144
  901   2HG1  VAL 116          HG12      VAL 116  16.038   5.873   2.226
  902   3HG1  VAL 116          HG13      VAL 116  15.436   6.451   0.666
  903   1HG2  VAL 116          HG21      VAL 116  13.435   6.234   3.832
  904   2HG2  VAL 116          HG22      VAL 116  12.869   4.571   3.547
  905   3HG2  VAL 116          HG23      VAL 116  14.577   4.873   3.863
  906    H    PHE 117           H        PHE 117  13.248   7.953  -0.589
  907    HA   PHE 117           HA       PHE 117  12.982   6.152  -2.948
  908   1HB   PHE 117          HB2       PHE 117  12.172   9.070  -2.669
  909   2HB   PHE 117          HB3       PHE 117  12.088   8.108  -4.131
  910    HD1  PHE 117           HD1      PHE 117  10.155   6.773  -4.614
  911    HD2  PHE 117           HD2      PHE 117  10.682   8.436  -0.673
  912    HE1  PHE 117           HE1      PHE 117   7.828   6.152  -4.043
  913    HE2  PHE 117           HE2      PHE 117   8.376   7.781  -0.101
  914    HZ   PHE 117           HZ       PHE 117   6.930   6.640  -1.775
  915    H    ASP 118           H        ASP 118  14.506   6.404  -4.455
  916    HA   ASP 118           HA       ASP 118  17.020   7.766  -3.965
  917   1HB   ASP 118          HB2       ASP 118  16.352   5.711  -5.445
  918   2HB   ASP 118          HB3       ASP 118  15.894   6.939  -6.616
  919    H    LYS 119           H        LYS 119  17.844   9.480  -5.532
  920    HA   LYS 119           HA       LYS 119  16.141  11.759  -5.710
  921   1HB   LYS 119          HB2       LYS 119  17.852  12.828  -6.989
  922   2HB   LYS 119          HB3       LYS 119  18.579  11.954  -5.650
  923   1HG   LYS 119          HG2       LYS 119  19.894  10.812  -6.983
  924   2HG   LYS 119          HG3       LYS 119  18.552  10.200  -7.943
  925   1HD   LYS 119          HD2       LYS 119  19.817  12.946  -8.370
  926   2HD   LYS 119          HD3       LYS 119  20.369  11.480  -9.188
  927   1HE   LYS 119          HE2       LYS 119  18.170  11.145 -10.213
  928   2HE   LYS 119          HE3       LYS 119  17.521  12.563  -9.381
  929   1HZ   LYS 119          HZ1       LYS 119  19.770  12.709 -11.307
  930   2HZ   LYS 119          HZ2       LYS 119  18.215  12.951 -11.719
  931   3HZ   LYS 119          HZ3       LYS 119  18.922  13.974 -10.674
  932    H    THR 120           H        THR 120  16.049   8.994  -7.725
  933    HA   THR 120           HA       THR 120  14.988  10.375 -10.095
  934    HB   THR 120           HB       THR 120  14.445   7.994 -10.679
  935    HG1  THR 120           HG1      THR 120  15.372   6.386  -9.386
  936   1HG2  THR 120          HG21      THR 120  16.751   7.224 -11.049
  937   2HG2  THR 120          HG22      THR 120  16.640   8.967 -11.389
  938   3HG2  THR 120          HG23      THR 120  17.359   8.397  -9.858
  939    H    GLY 121           H        GLY 121  13.896   9.046  -7.066
  940   1HA   GLY 121          HA2       GLY 121  11.733   9.115  -6.173
  941   2HA   GLY 121          HA3       GLY 121  11.032   9.277  -7.793
  942    H    GLN 122           H        GLN 122  13.507   6.777  -7.672
  943    HA   GLN 122           HA       GLN 122  11.388   4.769  -7.881
  944   1HB   GLN 122          HB2       GLN 122  13.035   3.192  -8.358
  945   2HB   GLN 122          HB3       GLN 122  13.543   4.658  -9.206
  946   1HG   GLN 122          HG2       GLN 122  15.171   5.106  -7.414
  947   2HG   GLN 122          HG3       GLN 122  14.698   3.625  -6.593
  948   1HE2  GLN 122          HE22      GLN 122  17.321   4.685  -8.098
  949   2HE2  GLN 122          HE21      GLN 122  17.720   3.300  -9.079
  950    H    LEU 123           H        LEU 123  10.420   3.964  -6.135
  951    HA   LEU 123           HA       LEU 123  11.135   4.613  -3.441
  952   1HB   LEU 123          HB2       LEU 123   8.853   4.063  -4.054
  953   2HB   LEU 123          HB3       LEU 123   9.335   2.483  -4.640
  954    HG   LEU 123           HG       LEU 123   9.771   1.658  -2.464
  955   1HD1  LEU 123          HD11      LEU 123   9.340   4.513  -1.448
  956   2HD1  LEU 123          HD12      LEU 123   9.408   3.089  -0.386
  957   3HD1  LEU 123          HD13      LEU 123  10.815   3.539  -1.324
  958   1HD2  LEU 123          HD21      LEU 123   7.171   3.242  -2.461
  959   2HD2  LEU 123          HD22      LEU 123   7.457   1.544  -2.929
  960   3HD2  LEU 123          HD23      LEU 123   7.588   1.989  -1.260
  961    H    ARG 124           H        ARG 124  13.114   3.972  -2.600
  962    HA   ARG 124           HA       ARG 124  14.398   1.526  -3.573
  963   1HB   ARG 124          HB2       ARG 124  15.147   3.578  -1.434
  964   2HB   ARG 124          HB3       ARG 124  16.116   2.148  -1.778
  965   1HG   ARG 124          HG2       ARG 124  15.523   4.414  -3.714
  966   2HG   ARG 124          HG3       ARG 124  17.043   4.109  -2.873
  967   1HD   ARG 124          HD2       ARG 124  16.936   1.765  -4.080
  968   2HD   ARG 124          HD3       ARG 124  15.791   2.577  -5.148
  969    HE   ARG 124           HE       ARG 124  17.530   4.182  -5.761
  970   1HH1  ARG 124          HH21      ARG 124  18.775   1.243  -4.170
  971   2HH1  ARG 124          HH22      ARG 124  20.390   1.467  -4.757
  972   1HH2  ARG 124          HH11      ARG 124  19.519   4.444  -6.563
  973   2HH2  ARG 124          HH12      ARG 124  20.804   3.297  -6.263
  974    H    HIS 125           H        HIS 125  12.830   2.581  -0.454
  975    HA   HIS 125           HA       HIS 125  12.380  -0.241   0.219
  976   1HB   HIS 125          HB2       HIS 125  14.798   0.337   0.831
  977   2HB   HIS 125          HB3       HIS 125  14.157   1.540   1.944
  978    HD1  HIS 125           HD1      HIS 125  14.432  -2.276   1.490
  979    HD2  HIS 125           HD2      HIS 125  13.124   0.637   4.228
  980    HE1  HIS 125           HE1      HIS 125  14.080  -3.494   3.695
  981    H    PHE 126           H        PHE 126  11.123  -0.425   2.263
  982    HA   PHE 126           HA       PHE 126   9.928   2.023   3.344
  983   1HB   PHE 126          HB2       PHE 126   8.113   1.751   2.055
  984   2HB   PHE 126          HB3       PHE 126   8.515   0.112   1.580
  985    HD1  PHE 126           HD1      PHE 126   7.545  -1.810   2.700
  986    HD2  PHE 126           HD2      PHE 126   6.841   2.179   4.182
  987    HE1  PHE 126           HE1      PHE 126   5.764  -2.676   4.200
  988    HE2  PHE 126           HE2      PHE 126   5.051   1.305   5.653
  989    HZ   PHE 126           HZ       PHE 126   4.514  -1.099   5.689
  990    H    GLN 127           H        GLN 127   9.154   1.721   5.448
  991    HA   GLN 127           HA       GLN 127   9.054  -0.900   6.711
  992   1HB   GLN 127          HB2       GLN 127  10.930   1.315   7.685
  993   2HB   GLN 127          HB3       GLN 127  10.326   0.052   8.749
  994   1HG   GLN 127          HG2       GLN 127  12.052  -0.402   6.303
  995   2HG   GLN 127          HG3       GLN 127  12.592  -0.400   7.971
  996   1HE2  GLN 127          HE22      GLN 127  11.063  -2.301   5.490
  997   2HE2  GLN 127          HE21      GLN 127  10.900  -3.785   6.426
  998    H    ALA 128           H        ALA 128   8.003  -0.557   8.963
  999    HA   ALA 128           HA       ALA 128   6.743   2.046   9.334
 1000   1HB   ALA 128          HB1       ALA 128   4.475   1.016   9.622
 1001   2HB   ALA 128          HB2       ALA 128   5.062   0.859   7.959
 1002   3HB   ALA 128          HB3       ALA 128   5.122  -0.536   9.062
 1003    H    GLY 129           H        GLY 129   5.881   2.290  11.456
 1004   1HA   GLY 129          HA2       GLY 129   5.952   2.125  13.732
 1005   2HA   GLY 129          HA3       GLY 129   5.685   0.398  13.468
 1006    H    GLY 130           H        GLY 130   8.488   2.666  13.053
 1007   1HA   GLY 130          HA2       GLY 130  10.273   0.632  14.341
 1008   2HA   GLY 130          HA3       GLY 130  10.769   1.783  13.098
 1009    H    SER 131           H        SER 131  11.226   1.227  16.206
 1010    HA   SER 131           HA       SER 131  10.373   3.259  17.789
 1011   1HB   SER 131          HB2       SER 131  13.115   1.958  17.933
 1012   2HB   SER 131          HB3       SER 131  12.160   2.621  19.274
 1013    HG   SER 131           HG       SER 131  11.979   0.334  19.103
 1014    H    GLY 132           H        GLY 132  10.426   5.387  17.381
 1015   1HA   GLY 132          HA2       GLY 132  11.145   7.487  16.918
 1016   2HA   GLY 132          HA3       GLY 132  12.681   6.988  17.642
 1017    H    MET 133           H        MET 133  11.434   5.508  14.645
 1018    HA   MET 133           HA       MET 133  12.401   5.215  12.641
 1019   1HB   MET 133          HB2       MET 133  13.263   8.110  12.701
 1020   2HB   MET 133          HB3       MET 133  12.936   7.090  11.304
 1021   1HG   MET 133          HG2       MET 133  10.515   6.963  12.177
 1022   2HG   MET 133          HG3       MET 133  10.968   8.312  13.224
 1023   1HE   MET 133          HE1       MET 133  13.196   9.478  10.726
 1024   2HE   MET 133          HE2       MET 133  12.197  10.862  10.258
 1025   3HE   MET 133          HE3       MET 133  12.418  10.470  11.980
 1026    H    LYS 134           H        LYS 134  14.307   4.913  15.116
 1027    HA   LYS 134           HA       LYS 134  16.794   5.997  14.254
 1028   1HB   LYS 134          HB2       LYS 134  16.007   3.899  16.294
 1029   2HB   LYS 134          HB3       LYS 134  17.710   4.180  15.965
 1030   1HG   LYS 134          HG2       LYS 134  15.951   6.570  16.578
 1031   2HG   LYS 134          HG3       LYS 134  16.436   5.497  17.885
 1032   1HD   LYS 134          HD2       LYS 134  17.956   7.406  17.707
 1033   2HD   LYS 134          HD3       LYS 134  18.788   5.868  17.458
 1034   1HE   LYS 134          HE2       LYS 134  18.730   6.245  14.993
 1035   2HE   LYS 134          HE3       LYS 134  17.925   7.801  15.254
 1036   1HZ   LYS 134          HZ1       LYS 134  20.634   7.100  16.230
 1037   2HZ   LYS 134          HZ2       LYS 134  20.309   7.986  14.895
 1038   3HZ   LYS 134          HZ3       LYS 134  19.915   8.565  16.386
 1039    H    MET 135           H        MET 135  15.283   2.936  13.382
 1040    HA   MET 135           HA       MET 135  17.709   1.852  12.179
 1041   1HB   MET 135          HB2       MET 135  15.743   0.471  12.929
 1042   2HB   MET 135          HB3       MET 135  14.793   1.152  11.610
 1043   1HG   MET 135          HG2       MET 135  17.295   0.139  10.536
 1044   2HG   MET 135          HG3       MET 135  16.622  -1.066  11.614
 1045   1HE   MET 135          HE1       MET 135  14.654   0.460   7.700
 1046   2HE   MET 135          HE2       MET 135  14.665   1.490   9.149
 1047   3HE   MET 135          HE3       MET 135  16.197   1.008   8.373
 1048    H    LEU 136           H        LEU 136  14.993   3.905  11.116
 1049    HA   LEU 136           HA       LEU 136  15.306   3.681   8.335
 1050   1HB   LEU 136          HB2       LEU 136  13.379   4.715   9.622
 1051   2HB   LEU 136          HB3       LEU 136  14.427   6.106   9.936
 1052    HG   LEU 136           HG       LEU 136  14.582   6.557   7.489
 1053   1HD1  LEU 136          HD11      LEU 136  12.659   4.200   7.328
 1054   2HD1  LEU 136          HD12      LEU 136  12.855   5.407   6.042
 1055   3HD1  LEU 136          HD13      LEU 136  14.228   4.391   6.507
 1056   1HD2  LEU 136          HD21      LEU 136  12.264   7.379   7.332
 1057   2HD2  LEU 136          HD22      LEU 136  11.844   6.432   8.780
 1058   3HD2  LEU 136          HD23      LEU 136  13.031   7.747   8.872
 1059    H    GLU 137           H        GLU 137  16.964   5.760  10.680
 1060    HA   GLU 137           HA       GLU 137  18.341   7.499   8.954
 1061   1HB   GLU 137          HB2       GLU 137  18.329   7.744  11.353
 1062   2HB   GLU 137          HB3       GLU 137  19.158   6.198  11.586
 1063   1HG   GLU 137          HG2       GLU 137  21.217   7.024  10.769
 1064   2HG   GLU 137          HG3       GLU 137  20.435   8.368   9.927
 1065    H    LYS 138           H        LYS 138  19.045   4.052   9.699
 1066    HA   LYS 138           HA       LYS 138  21.644   4.076   8.387
 1067   1HB   LYS 138          HB2       LYS 138  19.811   1.676   8.831
 1068   2HB   LYS 138          HB3       LYS 138  21.547   1.663   8.591
 1069   1HG   LYS 138          HG2       LYS 138  20.019   2.670  11.025
 1070   2HG   LYS 138          HG3       LYS 138  20.977   1.205  10.915
 1071   1HD   LYS 138          HD2       LYS 138  22.066   4.055  10.787
 1072   2HD   LYS 138          HD3       LYS 138  22.136   2.966  12.175
 1073   1HE   LYS 138          HE2       LYS 138  23.491   1.350  10.837
 1074   2HE   LYS 138          HE3       LYS 138  23.473   2.474   9.474
 1075   1HZ   LYS 138          HZ1       LYS 138  24.660   4.075  10.869
 1076   2HZ   LYS 138          HZ2       LYS 138  24.678   3.027  12.125
 1077   3HZ   LYS 138          HZ3       LYS 138  25.497   2.681  10.763
 1078    H    ARG 139           H        ARG 139  18.252   3.290   7.477
 1079    HA   ARG 139           HA       ARG 139  18.974   2.282   4.935
 1080   1HB   ARG 139          HB2       ARG 139  16.792   1.906   6.248
 1081   2HB   ARG 139          HB3       ARG 139  16.294   3.504   5.696
 1082   1HG   ARG 139          HG2       ARG 139  15.332   1.954   4.172
 1083   2HG   ARG 139          HG3       ARG 139  16.662   2.713   3.312
 1084   1HD   ARG 139          HD2       ARG 139  16.817   0.430   2.762
 1085   2HD   ARG 139          HD3       ARG 139  18.090   0.640   3.950
 1086    HE   ARG 139           HE       ARG 139  15.467  -0.722   4.256
 1087   1HH1  ARG 139          HH21      ARG 139  18.646  -0.159   5.758
 1088   2HH1  ARG 139          HH22      ARG 139  18.330  -1.221   7.077
 1089   1HH2  ARG 139          HH11      ARG 139  15.042  -2.027   5.953
 1090   2HH2  ARG 139          HH12      ARG 139  16.226  -2.356   7.178
 1091    H    VAL 140           H        VAL 140  17.864   5.566   5.948
 1092    HA   VAL 140           HA       VAL 140  18.021   6.763   3.395
 1093    HB   VAL 140           HB       VAL 140  18.170   7.655   6.280
 1094   1HG1  VAL 140          HG11      VAL 140  18.169   9.991   5.674
 1095   2HG1  VAL 140          HG12      VAL 140  19.670   9.251   5.160
 1096   3HG1  VAL 140          HG13      VAL 140  18.411   9.591   3.949
 1097   1HG2  VAL 140          HG21      VAL 140  16.010   6.971   5.227
 1098   2HG2  VAL 140          HG22      VAL 140  16.000   8.677   5.652
 1099   3HG2  VAL 140          HG23      VAL 140  16.243   8.209   3.972
 1100    H    ASN 141           H        ASN 141  20.630   6.261   5.875
 1101    HA   ASN 141           HA       ASN 141  22.544   7.735   4.314
 1102   1HB   ASN 141          HB2       ASN 141  22.791   5.775   6.618
 1103   2HB   ASN 141          HB3       ASN 141  24.218   6.253   5.712
 1104   1HD2  ASN 141          HD22      ASN 141  21.627   7.507   7.814
 1105   2HD2  ASN 141          HD21      ASN 141  22.438   9.015   8.197
 1106    H    ARG 142           H        ARG 142  21.647   4.261   4.346
 1107    HA   ARG 142           HA       ARG 142  23.551   3.462   2.361
 1108   1HB   ARG 142          HB2       ARG 142  22.465   1.727   3.525
 1109   2HB   ARG 142          HB3       ARG 142  20.873   2.424   3.313
 1110   1HG   ARG 142          HG2       ARG 142  21.088   0.406   2.004
 1111   2HG   ARG 142          HG3       ARG 142  20.783   1.805   0.995
 1112   1HD   ARG 142          HD2       ARG 142  22.360   0.398  -0.126
 1113   2HD   ARG 142          HD3       ARG 142  23.227   1.855   0.378
 1114    HE   ARG 142           HE       ARG 142  23.615   0.010   2.422
 1115   1HH1  ARG 142          HH21      ARG 142  24.315   0.105  -1.109
 1116   2HH1  ARG 142          HH22      ARG 142  25.789  -0.774  -0.935
 1117   1HH2  ARG 142          HH11      ARG 142  25.563  -1.199   2.574
 1118   2HH2  ARG 142          HH12      ARG 142  26.490  -1.558   1.170
 1119    H    VAL 143           H        VAL 143  20.147   4.742   1.943
 1120    HA   VAL 143           HA       VAL 143  20.330   4.641  -0.883
 1121    HB   VAL 143           HB       VAL 143  18.583   6.275   0.971
 1122   1HG1  VAL 143          HG11      VAL 143  17.106   6.664  -1.016
 1123   2HG1  VAL 143          HG12      VAL 143  18.643   7.525  -1.121
 1124   3HG1  VAL 143          HG13      VAL 143  18.400   6.041  -2.066
 1125   1HG2  VAL 143          HG21      VAL 143  18.138   3.784  -0.751
 1126   2HG2  VAL 143          HG22      VAL 143  18.243   3.821   1.013
 1127   3HG2  VAL 143          HG23      VAL 143  16.882   4.593   0.202
 1128    H    LEU 144           H        LEU 144  21.515   7.179   1.357
 1129    HA   LEU 144           HA       LEU 144  22.258   8.997  -0.737
 1130   1HB   LEU 144          HB2       LEU 144  23.607   8.499   1.963
 1131   2HB   LEU 144          HB3       LEU 144  24.026   9.812   0.878
 1132    HG   LEU 144           HG       LEU 144  21.280   9.434   2.094
 1133   1HD1  LEU 144          HD11      LEU 144  21.876  11.256   3.638
 1134   2HD1  LEU 144          HD12      LEU 144  22.988   9.890   3.831
 1135   3HD1  LEU 144          HD13      LEU 144  23.512  11.327   2.939
 1136   1HD2  LEU 144          HD21      LEU 144  20.907  11.783   1.407
 1137   2HD2  LEU 144          HD22      LEU 144  22.520  11.810   0.645
 1138   3HD2  LEU 144          HD23      LEU 144  21.249  10.761   0.014
 1139    H    ALA 145           H        ALA 145  24.095   6.322   0.842
 1140    HA   ALA 145           HA       ALA 145  26.428   6.609  -0.749
 1141   1HB   ALA 145          HB1       ALA 145  26.973   4.337  -0.022
 1142   2HB   ALA 145          HB2       ALA 145  26.311   5.267   1.336
 1143   3HB   ALA 145          HB3       ALA 145  25.302   4.063   0.498
 1144    H    GLU 146           H        GLU 146  23.358   4.956  -1.431
 1145    HA   GLU 146           HA       GLU 146  24.201   3.629  -3.844
 1146   1HB   GLU 146          HB2       GLU 146  21.462   4.522  -2.851
 1147   2HB   GLU 146          HB3       GLU 146  21.709   3.562  -4.285
 1148   1HG   GLU 146          HG2       GLU 146  22.622   2.640  -1.554
 1149   2HG   GLU 146          HG3       GLU 146  21.014   2.323  -2.185
 1150    H    THR 147           H        THR 147  23.678   7.018  -3.205
 1151    HA   THR 147           HA       THR 147  23.337   7.527  -6.096
 1152    HB   THR 147           HB       THR 147  21.263   7.467  -4.411
 1153    HG1  THR 147           HG1      THR 147  20.236   8.283  -6.001
 1154   1HG2  THR 147          HG21      THR 147  21.810  10.433  -4.297
 1155   2HG2  THR 147          HG22      THR 147  20.511   9.482  -3.546
 1156   3HG2  THR 147          HG23      THR 147  22.172   9.321  -2.959
 1157    H    GLU 148           H        GLU 148  25.629   7.766  -4.105
 1158    HA   GLU 148           HA       GLU 148  26.531  10.442  -4.986
 1159   1HB   GLU 148          HB2       GLU 148  25.730  10.678  -2.657
 1160   2HB   GLU 148          HB3       GLU 148  26.765   9.337  -2.146
 1161   1HG   GLU 148          HG2       GLU 148  28.771  10.596  -2.811
 1162   2HG   GLU 148          HG3       GLU 148  27.769  11.908  -3.431
  Start of MODEL    3
    1   1H    MET   1           H1       MET   1   3.263  -2.284   0.350
    2   2H    MET   1           H2       MET   1   1.874  -1.704  -0.310
    3   3H    MET   1           H3       MET   1   2.529  -3.102  -0.854
    4    HA   MET   1           HA       MET   1   2.984  -1.354  -2.436
    5   1HB   MET   1          HB2       MET   1   4.336  -0.021  -0.047
    6   2HB   MET   1          HB3       MET   1   4.651   0.409  -1.729
    7   1HG   MET   1          HG2       MET   1   2.133   0.772  -1.994
    8   2HG   MET   1          HG3       MET   1   2.016   0.639  -0.240
    9   1HE   MET   1          HE1       MET   1   2.938   2.727  -3.308
   10   2HE   MET   1          HE2       MET   1   3.770   4.158  -2.665
   11   3HE   MET   1          HE3       MET   1   4.609   2.594  -2.717
   12    H    LYS   2           H        LYS   2   4.644  -1.855  -3.824
   13    HA   LYS   2           HA       LYS   2   6.625  -3.840  -2.843
   14   1HB   LYS   2          HB2       LYS   2   5.945  -2.976  -5.683
   15   2HB   LYS   2          HB3       LYS   2   7.041  -4.269  -5.207
   16   1HG   LYS   2          HG2       LYS   2   5.158  -5.492  -4.150
   17   2HG   LYS   2          HG3       LYS   2   4.034  -4.225  -4.643
   18   1HD   LYS   2          HD2       LYS   2   5.674  -5.998  -6.481
   19   2HD   LYS   2          HD3       LYS   2   3.954  -6.164  -6.153
   20   1HE   LYS   2          HE2       LYS   2   5.309  -3.851  -7.621
   21   2HE   LYS   2          HE3       LYS   2   4.346  -5.137  -8.340
   22   1HZ   LYS   2          HZ1       LYS   2   3.340  -2.976  -6.572
   23   2HZ   LYS   2          HZ2       LYS   2   2.987  -3.234  -8.138
   24   3HZ   LYS   2          HZ3       LYS   2   2.434  -4.281  -7.023
   25    H    LEU   3           H        LEU   3   8.822  -3.460  -3.458
   26    HA   LEU   3           HA       LEU   3   9.703  -0.675  -3.317
   27   1HB   LEU   3          HB2       LEU   3  11.344  -3.204  -3.760
   28   2HB   LEU   3          HB3       LEU   3  11.970  -1.590  -3.422
   29    HG   LEU   3           HG       LEU   3  10.392  -3.388  -1.546
   30   1HD1  LEU   3          HD11      LEU   3  13.163  -2.139  -1.336
   31   2HD1  LEU   3          HD12      LEU   3  12.398  -3.220  -0.146
   32   3HD1  LEU   3          HD13      LEU   3  12.809  -3.829  -1.757
   33   1HD2  LEU   3          HD21      LEU   3  11.115  -0.455  -1.173
   34   2HD2  LEU   3          HD22      LEU   3   9.496  -1.193  -1.133
   35   3HD2  LEU   3          HD23      LEU   3  10.641  -1.551   0.157
   36    H    ARG   4           H        ARG   4  11.269   0.107  -4.844
   37    HA   ARG   4           HA       ARG   4  11.512   1.225  -6.700
   38   1HB   ARG   4          HB2       ARG   4  11.411  -1.488  -8.057
   39   2HB   ARG   4          HB3       ARG   4  12.016   0.007  -8.783
   40   1HG   ARG   4          HG2       ARG   4  13.682   0.196  -6.890
   41   2HG   ARG   4          HG3       ARG   4  13.179  -1.419  -6.357
   42   1HD   ARG   4          HD2       ARG   4  13.808  -2.337  -8.575
   43   2HD   ARG   4          HD3       ARG   4  14.330  -0.737  -9.104
   44    HE   ARG   4           HE       ARG   4  15.697  -2.594  -7.313
   45   1HH1  ARG   4          HH21      ARG   4  15.569   0.817  -8.373
   46   2HH1  ARG   4          HH22      ARG   4  17.203   1.143  -7.911
   47   1HH2  ARG   4          HH11      ARG   4  17.845  -2.125  -6.687
   48   2HH2  ARG   4          HH12      ARG   4  18.517  -0.560  -6.930
   49    H    GLN   5           H        GLN   5   8.545   0.580  -5.878
   50    HA   GLN   5           HA       GLN   5   7.134   1.122  -8.389
   51   1HB   GLN   5          HB2       GLN   5   6.419   1.587  -5.455
   52   2HB   GLN   5          HB3       GLN   5   5.320   1.888  -6.798
   53   1HG   GLN   5          HG2       GLN   5   5.431  -0.493  -7.484
   54   2HG   GLN   5          HG3       GLN   5   6.556  -0.837  -6.164
   55   1HE2  GLN   5          HE22      GLN   5   5.372   0.715  -4.119
   56   2HE2  GLN   5          HE21      GLN   5   3.617   0.519  -4.040
   57    HA   PRO   6           HA       PRO   6   8.338   5.473  -8.164
   58   1HB   PRO   6          HB2       PRO   6   6.546   6.672  -9.810
   59   2HB   PRO   6          HB3       PRO   6   7.901   5.651 -10.392
   60   1HG   PRO   6          HG2       PRO   6   4.999   4.842 -10.000
   61   2HG   PRO   6          HG3       PRO   6   6.051   4.529 -11.416
   62   1HD   PRO   6          HD2       PRO   6   5.642   2.686  -9.411
   63   2HD   PRO   6          HD3       PRO   6   7.193   2.802 -10.301
   64    H    MET   7           H        MET   7   7.795   7.022  -6.675
   65    HA   MET   7           HA       MET   7   5.774   6.909  -4.831
   66   1HB   MET   7          HB2       MET   7   6.046   9.299  -4.427
   67   2HB   MET   7          HB3       MET   7   7.529   8.365  -4.467
   68   1HG   MET   7          HG2       MET   7   8.097   9.243  -6.669
   69   2HG   MET   7          HG3       MET   7   6.551  10.091  -6.757
   70   1HE   MET   7          HE1       MET   7   8.783   9.844  -3.442
   71   2HE   MET   7          HE2       MET   7   9.917   9.743  -4.801
   72   3HE   MET   7          HE3       MET   7   9.922  11.179  -3.750
   73    HA   PRO   8           HA       PRO   8   2.265   7.706  -7.478
   74   1HB   PRO   8          HB2       PRO   8   0.238   6.979  -5.847
   75   2HB   PRO   8          HB3       PRO   8   1.535   5.845  -6.280
   76   1HG   PRO   8          HG2       PRO   8   1.345   7.578  -3.806
   77   2HG   PRO   8          HG3       PRO   8   1.575   5.795  -3.864
   78   1HD   PRO   8          HD2       PRO   8   3.704   7.512  -3.659
   79   2HD   PRO   8          HD3       PRO   8   3.791   5.993  -4.600
   80    H    GLU   9           H        GLU   9  -0.215   8.589  -6.099
   81    HA   GLU   9           HA       GLU   9  -0.148  11.390  -6.662
   82   1HB   GLU   9          HB2       GLU   9  -2.166   9.367  -5.637
   83   2HB   GLU   9          HB3       GLU   9  -2.609  11.061  -5.961
   84   1HG   GLU   9          HG2       GLU   9  -1.450   9.152  -8.022
   85   2HG   GLU   9          HG3       GLU   9  -3.169   9.469  -7.796
   86    H    LEU  10           H        LEU  10   1.584  11.734  -4.906
   87    HA   LEU  10           HA       LEU  10   0.594  12.124  -2.179
   88   1HB   LEU  10          HB2       LEU  10   3.045  13.194  -3.661
   89   2HB   LEU  10          HB3       LEU  10   2.661  13.583  -1.997
   90    HG   LEU  10           HG       LEU  10   4.357  11.970  -2.033
   91   1HD1  LEU  10          HD11      LEU  10   1.781  10.592  -1.155
   92   2HD1  LEU  10          HD12      LEU  10   3.418  10.167  -0.637
   93   3HD1  LEU  10          HD13      LEU  10   2.745  11.741  -0.195
   94   1HD2  LEU  10          HD21      LEU  10   3.938  10.913  -4.228
   95   2HD2  LEU  10          HD22      LEU  10   4.241   9.744  -2.931
   96   3HD2  LEU  10          HD23      LEU  10   2.587   9.996  -3.511
   97    H    THR  11           H        THR  11  -1.459  13.211  -2.704
   98    HA   THR  11           HA       THR  11  -1.139  16.093  -2.830
   99    HB   THR  11           HB       THR  11  -1.110  15.367  -5.238
  100    HG1  THR  11           HG1      THR  11  -1.820  17.383  -4.902
  101   1HG2  THR  11          HG21      THR  11  -2.591  13.430  -5.172
  102   2HG2  THR  11          HG22      THR  11  -3.978  14.468  -4.768
  103   3HG2  THR  11          HG23      THR  11  -3.159  14.630  -6.336
  104    H    GLY  12           H        GLY  12  -3.195  17.202  -2.285
  105   1HA   GLY  12          HA2       GLY  12  -5.488  15.857  -1.270
  106   2HA   GLY  12          HA3       GLY  12  -4.266  16.069   0.000
  107    H    GLU  13           H        GLU  13  -6.608  17.305   0.424
  108    HA   GLU  13           HA       GLU  13  -6.113  20.202  -0.145
  109   1HB   GLU  13          HB2       GLU  13  -8.657  18.541  -0.420
  110   2HB   GLU  13          HB3       GLU  13  -8.614  20.306  -0.490
  111   1HG   GLU  13          HG2       GLU  13  -7.044  20.167  -2.437
  112   2HG   GLU  13          HG3       GLU  13  -7.238  18.411  -2.436
  113    H    LYS  14           H        LYS  14  -6.766  17.926   2.411
  114    HA   LYS  14           HA       LYS  14  -8.688  19.500   3.877
  115   1HB   LYS  14          HB2       LYS  14  -8.411  17.103   4.229
  116   2HB   LYS  14          HB3       LYS  14  -6.791  17.379   4.907
  117   1HG   LYS  14          HG2       LYS  14  -7.729  18.611   6.784
  118   2HG   LYS  14          HG3       LYS  14  -9.369  18.444   6.115
  119   1HD   LYS  14          HD2       LYS  14  -9.312  16.023   6.405
  120   2HD   LYS  14          HD3       LYS  14  -7.583  16.058   6.738
  121   1HE   LYS  14          HE2       LYS  14  -8.503  15.770   8.847
  122   2HE   LYS  14          HE3       LYS  14  -8.072  17.481   8.785
  123   1HZ   LYS  14          HZ1       LYS  14 -10.410  17.998   8.436
  124   2HZ   LYS  14          HZ2       LYS  14 -10.810  16.413   8.349
  125   3HZ   LYS  14          HZ3       LYS  14 -10.262  17.029   9.759
  126    H    ALA  15           H        ALA  15  -5.084  19.253   4.166
  127    HA   ALA  15           HA       ALA  15  -4.954  22.031   4.938
  128   1HB   ALA  15          HB1       ALA  15  -5.440  21.076   7.192
  129   2HB   ALA  15          HB2       ALA  15  -4.086  19.938   7.028
  130   3HB   ALA  15          HB3       ALA  15  -3.780  21.668   7.130
  131    H    TRP  16           H        TRP  16  -2.696  22.736   5.066
  132    HA   TRP  16           HA       TRP  16  -0.647  20.773   4.395
  133   1HB   TRP  16          HB2       TRP  16   0.421  22.083   2.726
  134   2HB   TRP  16          HB3       TRP  16  -1.196  21.677   2.192
  135    HD1  TRP  16           HD1      TRP  16  -2.726  23.636   1.475
  136    HE1  TRP  16           HE1      TRP  16  -2.422  26.148   1.180
  137    HE3  TRP  16           HE3      TRP  16   1.702  24.203   3.980
  138    HZ2  TRP  16           HZ2      TRP  16  -0.513  28.190   1.987
  139    HZ3  TRP  16           HZ3      TRP  16   2.750  26.441   4.190
  140    HH2  TRP  16           HH2      TRP  16   1.650  28.438   3.200
  141    H    LEU  17           H        LEU  17   1.247  21.294   5.354
  142    HA   LEU  17           HA       LEU  17   1.274  23.577   7.295
  143   1HB   LEU  17          HB2       LEU  17   0.288  21.855   8.520
  144   2HB   LEU  17          HB3       LEU  17   1.151  20.596   7.661
  145    HG   LEU  17           HG       LEU  17   3.238  21.134   8.884
  146   1HD1  LEU  17          HD11      LEU  17   1.473  23.034  10.497
  147   2HD1  LEU  17          HD12      LEU  17   3.115  22.532  10.929
  148   3HD1  LEU  17          HD13      LEU  17   2.850  23.514   9.488
  149   1HD2  LEU  17          HD21      LEU  17   0.779  20.590  10.601
  150   2HD2  LEU  17          HD22      LEU  17   1.609  19.396   9.585
  151   3HD2  LEU  17          HD23      LEU  17   2.454  20.112  10.948
  152    H    ASN  18           H        ASN  18   3.130  24.563   7.138
  153    HA   ASN  18           HA       ASN  18   5.285  25.132   6.944
  154   1HB   ASN  18          HB2       ASN  18   6.030  22.253   6.470
  155   2HB   ASN  18          HB3       ASN  18   7.130  23.592   6.682
  156   1HD2  ASN  18          HD22      ASN  18   6.361  21.019   8.271
  157   2HD2  ASN  18          HD21      ASN  18   6.407  21.618   9.933
  158    H    GLY  19           H        GLY  19   3.894  22.895   4.609
  159   1HA   GLY  19          HA2       GLY  19   3.782  24.446   2.367
  160   2HA   GLY  19          HA3       GLY  19   5.430  23.797   2.313
  161    H    GLU  20           H        GLU  20   3.944  22.967   0.259
  162    HA   GLU  20           HA       GLU  20   3.746  20.095   0.786
  163   1HB   GLU  20          HB2       GLU  20   1.798  19.951  -0.687
  164   2HB   GLU  20          HB3       GLU  20   1.476  20.881   0.786
  165   1HG   GLU  20          HG2       GLU  20   1.353  22.940  -0.348
  166   2HG   GLU  20          HG3       GLU  20   2.128  22.301  -1.801
  167    H    VAL  21           H        VAL  21   4.193  18.861  -1.224
  168    HA   VAL  21           HA       VAL  21   5.544  20.261  -3.412
  169    HB   VAL  21           HB       VAL  21   7.071  18.125  -1.884
  170   1HG1  VAL  21          HG11      VAL  21   7.950  20.360  -3.778
  171   2HG1  VAL  21          HG12      VAL  21   9.048  19.220  -2.974
  172   3HG1  VAL  21          HG13      VAL  21   7.896  18.622  -4.147
  173   1HG2  VAL  21          HG21      VAL  21   7.383  21.106  -1.373
  174   2HG2  VAL  21          HG22      VAL  21   6.835  19.872  -0.211
  175   3HG2  VAL  21          HG23      VAL  21   8.486  19.829  -0.819
  176    H    THR  22           H        THR  22   6.219  18.462  -5.085
  177    HA   THR  22           HA       THR  22   4.183  16.288  -5.073
  178    HB   THR  22           HB       THR  22   4.077  16.827  -7.551
  179    HG1  THR  22           HG1      THR  22   4.964  18.707  -8.253
  180   1HG2  THR  22          HG21      THR  22   2.652  18.755  -7.355
  181   2HG2  THR  22          HG22      THR  22   2.357  17.661  -5.987
  182   3HG2  THR  22          HG23      THR  22   3.315  19.149  -5.751
  183    H    ARG  23           H        ARG  23   4.626  14.628  -6.665
  184    HA   ARG  23           HA       ARG  23   7.181  13.467  -6.722
  185   1HB   ARG  23          HB2       ARG  23   6.102  11.843  -8.169
  186   2HB   ARG  23          HB3       ARG  23   4.982  12.309  -6.890
  187   1HG   ARG  23          HG2       ARG  23   4.021  14.012  -8.658
  188   2HG   ARG  23          HG3       ARG  23   4.930  13.072  -9.842
  189   1HD   ARG  23          HD2       ARG  23   2.722  12.088  -7.994
  190   2HD   ARG  23          HD3       ARG  23   2.599  12.320  -9.733
  191    HE   ARG  23           HE       ARG  23   3.895  10.122  -8.264
  192   1HH1  ARG  23          HH21      ARG  23   3.406  11.582 -11.480
  193   2HH1  ARG  23          HH22      ARG  23   3.914  10.174 -12.335
  194   1HH2  ARG  23          HH11      ARG  23   4.586   8.344  -9.348
  195   2HH2  ARG  23          HH12      ARG  23   4.580   8.238 -11.092
  196    H    GLU  24           H        GLU  24   6.573  16.316  -8.253
  197    HA   GLU  24           HA       GLU  24   8.728  15.647 -10.205
  198   1HB   GLU  24          HB2       GLU  24   7.681  17.114 -11.861
  199   2HB   GLU  24          HB3       GLU  24   6.563  15.835 -11.380
  200   1HG   GLU  24          HG2       GLU  24   5.348  17.393  -9.909
  201   2HG   GLU  24          HG3       GLU  24   6.480  18.686 -10.295
  202    H    GLN  25           H        GLN  25   8.226  17.132  -7.415
  203    HA   GLN  25           HA       GLN  25  10.251  19.258  -7.987
  204   1HB   GLN  25          HB2       GLN  25   7.796  19.401  -6.203
  205   2HB   GLN  25          HB3       GLN  25   9.134  20.559  -6.132
  206   1HG   GLN  25          HG2       GLN  25   8.691  21.204  -8.482
  207   2HG   GLN  25          HG3       GLN  25   7.357  20.046  -8.554
  208   1HE2  GLN  25          HE22      GLN  25   5.556  20.337  -6.910
  209   2HE2  GLN  25          HE21      GLN  25   5.141  21.977  -6.443
  210    H    LEU  26           H        LEU  26   8.965  16.738  -5.818
  211    HA   LEU  26           HA       LEU  26  11.028  16.895  -3.810
  212   1HB   LEU  26          HB2       LEU  26   9.158  14.700  -4.828
  213   2HB   LEU  26          HB3       LEU  26  10.318  14.404  -3.540
  214    HG   LEU  26           HG       LEU  26   8.160  16.531  -3.383
  215   1HD1  LEU  26          HD11      LEU  26   7.170  14.289  -3.560
  216   2HD1  LEU  26          HD12      LEU  26   8.156  13.738  -2.193
  217   3HD1  LEU  26          HD13      LEU  26   6.919  14.998  -1.960
  218   1HD2  LEU  26          HD21      LEU  26  10.024  15.334  -1.284
  219   2HD2  LEU  26          HD22      LEU  26  10.062  16.997  -1.890
  220   3HD2  LEU  26          HD23      LEU  26   8.681  16.449  -0.940
  221    H    ILE  27           H        ILE  27  10.964  15.674  -7.111
  222    HA   ILE  27           HA       ILE  27  13.561  14.316  -6.647
  223    HB   ILE  27           HB       ILE  27  12.566  12.703  -8.450
  224   1HG1  ILE  27          HG12      ILE  27   9.954  13.380  -7.013
  225   2HG1  ILE  27          HG13      ILE  27  10.350  13.759  -8.693
  226   1HG2  ILE  27          HG21      ILE  27  13.462  12.214  -6.122
  227   2HG2  ILE  27          HG22      ILE  27  11.793  12.333  -5.527
  228   3HG2  ILE  27          HG23      ILE  27  12.275  11.083  -6.708
  229   1HD1  ILE  27          HD11      ILE  27  10.123  10.992  -7.455
  230   2HD1  ILE  27          HD12      ILE  27   9.030  11.704  -8.622
  231   3HD1  ILE  27          HD13      ILE  27  10.681  11.295  -9.120
  232    H    GLY  28           H        GLY  28  14.604  13.640  -8.665
  233   1HA   GLY  28          HA2       GLY  28  15.121  14.248 -10.959
  234   2HA   GLY  28          HA3       GLY  28  14.632  15.914 -10.599
  235    H    GLU  29           H        GLU  29  16.167  14.881  -7.793
  236    HA   GLU  29           HA       GLU  29  18.878  15.630  -8.718
  237   1HB   GLU  29          HB2       GLU  29  17.317  17.684  -8.343
  238   2HB   GLU  29          HB3       GLU  29  17.398  17.286  -6.628
  239   1HG   GLU  29          HG2       GLU  29  19.948  17.393  -6.822
  240   2HG   GLU  29          HG3       GLU  29  19.742  17.958  -8.477
  241    H    LYS  30           H        LYS  30  16.864  15.161  -5.709
  242    HA   LYS  30           HA       LYS  30  19.150  13.674  -4.508
  243   1HB   LYS  30          HB2       LYS  30  17.396  15.820  -3.233
  244   2HB   LYS  30          HB3       LYS  30  18.502  14.784  -2.338
  245   1HG   LYS  30          HG2       LYS  30  20.427  15.757  -3.496
  246   2HG   LYS  30          HG3       LYS  30  19.350  16.757  -4.502
  247   1HD   LYS  30          HD2       LYS  30  18.489  17.922  -2.535
  248   2HD   LYS  30          HD3       LYS  30  19.393  16.846  -1.461
  249   1HE   LYS  30          HE2       LYS  30  20.862  18.549  -1.403
  250   2HE   LYS  30          HE3       LYS  30  21.492  17.745  -2.841
  251   1HZ   LYS  30          HZ1       LYS  30  19.701  20.108  -2.769
  252   2HZ   LYS  30          HZ2       LYS  30  21.249  20.075  -3.271
  253   3HZ   LYS  30          HZ3       LYS  30  20.082  19.348  -4.163
  254    HA   PRO  31           HA       PRO  31  16.029  10.657  -3.405
  255   1HB   PRO  31          HB2       PRO  31  17.394  10.520  -0.727
  256   2HB   PRO  31          HB3       PRO  31  16.956   9.184  -1.847
  257   1HG   PRO  31          HG2       PRO  31  19.517  10.007  -1.666
  258   2HG   PRO  31          HG3       PRO  31  18.777   9.640  -3.254
  259   1HD   PRO  31          HD2       PRO  31  19.179  12.354  -1.972
  260   2HD   PRO  31          HD3       PRO  31  19.538  11.823  -3.644
  261    H    THR  32           H        THR  32  14.416  10.167  -1.610
  262    HA   THR  32           HA       THR  32  13.540  12.647  -0.186
  263    HB   THR  32           HB       THR  32  11.894  10.878  -2.030
  264    HG1  THR  32           HG1      THR  32  13.186  12.309  -3.166
  265   1HG2  THR  32          HG21      THR  32  10.094  12.546  -1.763
  266   2HG2  THR  32          HG22      THR  32  10.428  11.688  -0.260
  267   3HG2  THR  32          HG23      THR  32  11.026  13.344  -0.480
  268    H    LEU  33           H        LEU  33  12.331  12.303   1.694
  269    HA   LEU  33           HA       LEU  33  11.783   9.486   2.528
  270   1HB   LEU  33          HB2       LEU  33  13.423  10.359   4.140
  271   2HB   LEU  33          HB3       LEU  33  12.547  11.894   4.244
  272    HG   LEU  33           HG       LEU  33  10.554  10.656   5.223
  273   1HD1  LEU  33          HD11      LEU  33  10.961   8.400   4.417
  274   2HD1  LEU  33          HD12      LEU  33  12.522   8.341   5.257
  275   3HD1  LEU  33          HD13      LEU  33  10.998   8.402   6.178
  276   1HD2  LEU  33          HD21      LEU  33  11.424  10.409   7.443
  277   2HD2  LEU  33          HD22      LEU  33  13.084  10.366   6.831
  278   3HD2  LEU  33          HD23      LEU  33  12.111  11.844   6.676
  279    H    ILE  34           H        ILE  34   9.597   9.239   2.429
  280    HA   ILE  34           HA       ILE  34   7.897  11.608   3.060
  281    HB   ILE  34           HB       ILE  34   6.982   9.082   1.642
  282   1HG1  ILE  34          HG12      ILE  34   7.854  11.707   0.354
  283   2HG1  ILE  34          HG13      ILE  34   8.599  10.131   0.139
  284   1HG2  ILE  34          HG21      ILE  34   5.692  11.839   1.892
  285   2HG2  ILE  34          HG22      ILE  34   4.960  10.374   1.203
  286   3HG2  ILE  34          HG23      ILE  34   5.306  10.445   2.920
  287   1HD1  ILE  34          HD11      ILE  34   5.878  11.002  -0.822
  288   2HD1  ILE  34          HD12      ILE  34   7.289  10.565  -1.794
  289   3HD1  ILE  34          HD13      ILE  34   6.431   9.315  -0.862
  290    H    HIS  35           H        HIS  35   6.919  11.358   5.079
  291    HA   HIS  35           HA       HIS  35   6.682   8.563   6.059
  292   1HB   HIS  35          HB2       HIS  35   7.482   8.944   8.133
  293   2HB   HIS  35          HB3       HIS  35   8.615   9.855   7.155
  294    HD1  HIS  35           HD1      HIS  35   6.089  10.197   9.926
  295    HD2  HIS  35           HD2      HIS  35   8.351  12.641   7.347
  296    HE1  HIS  35           HE1      HIS  35   5.993  12.535  10.893
  297    H    PHE  36           H        PHE  36   5.057   8.242   7.655
  298    HA   PHE  36           HA       PHE  36   2.594   9.817   7.067
  299   1HB   PHE  36          HB2       PHE  36   3.043   6.829   7.068
  300   2HB   PHE  36          HB3       PHE  36   1.474   7.620   6.984
  301    HD1  PHE  36           HD1      PHE  36   0.631   8.516   4.914
  302    HD2  PHE  36           HD2      PHE  36   4.732   7.196   5.176
  303    HE1  PHE  36           HE1      PHE  36   0.873   8.751   2.457
  304    HE2  PHE  36           HE2      PHE  36   4.966   7.443   2.720
  305    HZ   PHE  36           HZ       PHE  36   3.038   8.223   1.357
  306    H    TRP  37           H        TRP  37   1.526  10.339   9.063
  307    HA   TRP  37           HA       TRP  37   1.946   8.617  11.421
  308   1HB   TRP  37          HB2       TRP  37   2.779  10.453  12.798
  309   2HB   TRP  37          HB3       TRP  37   3.912   9.940  11.568
  310    HD1  TRP  37           HD1      TRP  37   3.602  11.622   9.194
  311    HE1  TRP  37           HE1      TRP  37   3.555  14.187   9.134
  312    HE3  TRP  37           HE3      TRP  37   2.883  12.508  14.165
  313    HZ2  TRP  37           HZ2      TRP  37   3.090  16.368  11.036
  314    HZ3  TRP  37           HZ3      TRP  37   2.821  14.814  15.036
  315    HH2  TRP  37           HH2      TRP  37   2.795  16.750  13.478
  316    H    SER  38           H        SER  38   0.711   9.540  13.353
  317    HA   SER  38           HA       SER  38  -1.710  11.105  12.769
  318   1HB   SER  38          HB2       SER  38  -1.700   8.221  13.737
  319   2HB   SER  38          HB3       SER  38  -3.094   9.302  13.799
  320    HG   SER  38           HG       SER  38  -3.002   9.473  11.544
  321    H    ILE  39           H        ILE  39  -1.780  12.519  14.597
  322    HA   ILE  39           HA       ILE  39   0.185  12.320  16.550
  323    HB   ILE  39           HB       ILE  39  -0.676  14.095  17.715
  324   1HG1  ILE  39          HG12      ILE  39  -3.464  13.850  16.524
  325   2HG1  ILE  39          HG13      ILE  39  -3.000  13.406  18.163
  326   1HG2  ILE  39          HG21      ILE  39  -0.958  15.796  16.045
  327   2HG2  ILE  39          HG22      ILE  39   0.096  14.553  15.393
  328   3HG2  ILE  39          HG23      ILE  39  -1.624  14.645  14.893
  329   1HD1  ILE  39          HD11      ILE  39  -2.215  15.799  18.499
  330   2HD1  ILE  39          HD12      ILE  39  -2.998  16.181  16.942
  331   3HD1  ILE  39          HD13      ILE  39  -3.957  15.577  18.294
  332    H    SER  40           H        SER  40  -2.883  10.654  16.584
  333    HA   SER  40           HA       SER  40  -3.012  10.087  19.369
  334   1HB   SER  40          HB2       SER  40  -3.985   8.373  17.051
  335   2HB   SER  40          HB3       SER  40  -4.569   8.337  18.727
  336    HG   SER  40           HG       SER  40  -4.818  10.344  16.750
  337    H    CYS  41           H        CYS  41  -0.619   8.885  17.104
  338    HA   CYS  41           HA       CYS  41  -0.413   6.257  18.459
  339   1HB   CYS  41          HB2       CYS  41   0.934   7.423  15.979
  340   2HB   CYS  41          HB3       CYS  41   1.139   5.766  16.580
  341    HG   CYS  41           HG       CYS  41  -0.438   5.748  14.492
  342    H    HIS  42           H        HIS  42   0.966   6.163  20.234
  343    HA   HIS  42           HA       HIS  42   2.722   8.249  20.875
  344   1HB   HIS  42          HB2       HIS  42   3.615   6.780  22.618
  345   2HB   HIS  42          HB3       HIS  42   1.860   6.723  22.561
  346    HD1  HIS  42           HD1      HIS  42   0.780   4.306  22.079
  347    HD2  HIS  42           HD2      HIS  42   4.974   4.546  21.759
  348    HE1  HIS  42           HE1      HIS  42   1.616   1.919  21.847
  349    H    LEU  43           H        LEU  43   3.316   5.365  18.949
  350    HA   LEU  43           HA       LEU  43   6.155   5.503  18.825
  351   1HB   LEU  43          HB2       LEU  43   3.993   4.501  16.930
  352   2HB   LEU  43          HB3       LEU  43   5.663   4.546  16.386
  353    HG   LEU  43           HG       LEU  43   4.789   3.055  18.888
  354   1HD1  LEU  43          HD11      LEU  43   5.259   2.011  16.056
  355   2HD1  LEU  43          HD12      LEU  43   4.958   1.013  17.497
  356   3HD1  LEU  43          HD13      LEU  43   3.698   2.097  16.895
  357   1HD2  LEU  43          HD21      LEU  43   7.351   3.029  17.235
  358   2HD2  LEU  43          HD22      LEU  43   7.165   3.602  18.907
  359   3HD2  LEU  43          HD23      LEU  43   6.974   1.885  18.555
  360    H    CYS  44           H        CYS  44   3.653   7.429  17.090
  361    HA   CYS  44           HA       CYS  44   5.666   8.637  15.393
  362   1HB   CYS  44          HB2       CYS  44   4.151  10.008  14.500
  363   2HB   CYS  44          HB3       CYS  44   3.135   8.612  14.885
  364    HG   CYS  44           HG       CYS  44   2.091   9.617  17.040
  365    H    LYS  45           H        LYS  45   4.343   9.376  18.657
  366    HA   LYS  45           HA       LYS  45   5.609  11.925  18.811
  367   1HB   LYS  45          HB2       LYS  45   5.173  10.021  21.140
  368   2HB   LYS  45          HB3       LYS  45   5.398  11.774  21.184
  369   1HG   LYS  45          HG2       LYS  45   2.942  10.320  20.137
  370   2HG   LYS  45          HG3       LYS  45   3.074  11.382  21.542
  371   1HD   LYS  45          HD2       LYS  45   3.801  13.213  19.791
  372   2HD   LYS  45          HD3       LYS  45   3.188  12.075  18.585
  373   1HE   LYS  45          HE2       LYS  45   1.393  13.554  19.015
  374   2HE   LYS  45          HE3       LYS  45   0.998  12.050  19.859
  375   1HZ   LYS  45          HZ1       LYS  45   1.741  13.097  21.926
  376   2HZ   LYS  45          HZ2       LYS  45   2.094  14.490  21.139
  377   3HZ   LYS  45          HZ3       LYS  45   0.553  13.971  21.240
  378    H    GLU  46           H        GLU  46   7.034   8.726  19.148
  379    HA   GLU  46           HA       GLU  46   9.542   9.872  20.214
  380   1HB   GLU  46          HB2       GLU  46   8.996   7.110  19.047
  381   2HB   GLU  46          HB3       GLU  46  10.368   7.602  20.056
  382   1HG   GLU  46          HG2       GLU  46   8.660   8.193  21.875
  383   2HG   GLU  46          HG3       GLU  46   7.425   7.443  20.880
  384    H    ALA  47           H        ALA  47   8.302   8.667  17.065
  385    HA   ALA  47           HA       ALA  47  10.769   9.138  15.665
  386   1HB   ALA  47          HB1       ALA  47   9.396   8.904  13.637
  387   2HB   ALA  47          HB2       ALA  47   8.983   7.633  14.812
  388   3HB   ALA  47          HB3       ALA  47   7.907   9.041  14.595
  389    H    MET  48           H        MET  48   8.073  11.272  16.581
  390    HA   MET  48           HA       MET  48   8.559  13.265  14.698
  391   1HB   MET  48          HB2       MET  48   7.168  13.306  17.420
  392   2HB   MET  48          HB3       MET  48   7.313  14.730  16.393
  393   1HG   MET  48          HG2       MET  48   5.414  12.566  16.221
  394   2HG   MET  48          HG3       MET  48   5.372  14.136  15.496
  395   1HE   MET  48          HE1       MET  48   7.127  13.787  12.140
  396   2HE   MET  48          HE2       MET  48   5.637  14.523  12.779
  397   3HE   MET  48          HE3       MET  48   7.167  14.673  13.669
  398    HA   PRO  49           HA       PRO  49  11.546  15.566  17.615
  399   1HB   PRO  49          HB2       PRO  49  12.932  13.947  19.428
  400   2HB   PRO  49          HB3       PRO  49  11.595  15.072  19.837
  401   1HG   PRO  49          HG2       PRO  49  11.504  12.098  19.385
  402   2HG   PRO  49          HG3       PRO  49  10.634  13.056  20.615
  403   1HD   PRO  49          HD2       PRO  49   9.401  12.233  18.352
  404   2HD   PRO  49          HD3       PRO  49   9.048  13.838  19.045
  405    H    GLN  50           H        GLN  50  11.970  12.028  16.806
  406    HA   GLN  50           HA       GLN  50  14.695  12.513  15.942
  407   1HB   GLN  50          HB2       GLN  50  12.787  10.260  15.261
  408   2HB   GLN  50          HB3       GLN  50  14.449  10.384  14.657
  409   1HG   GLN  50          HG2       GLN  50  15.204  10.657  17.080
  410   2HG   GLN  50          HG3       GLN  50  13.558  10.233  17.562
  411   1HE2  GLN  50          HE22      GLN  50  16.462   9.029  15.802
  412   2HE2  GLN  50          HE21      GLN  50  16.041   7.336  15.960
  413    H    VAL  51           H        VAL  51  11.589  12.770  14.229
  414    HA   VAL  51           HA       VAL  51  12.603  13.253  11.628
  415    HB   VAL  51           HB       VAL  51  10.017  14.054  13.005
  416   1HG1  VAL  51          HG11      VAL  51   9.076  14.619  10.846
  417   2HG1  VAL  51          HG12      VAL  51  10.392  15.734  11.239
  418   3HG1  VAL  51          HG13      VAL  51  10.659  14.437  10.060
  419   1HG2  VAL  51          HG21      VAL  51  10.403  11.592  12.359
  420   2HG2  VAL  51          HG22      VAL  51   8.968  12.359  11.673
  421   3HG2  VAL  51          HG23      VAL  51  10.424  12.125  10.685
  422    H    ASN  52           H        ASN  52  12.266  15.417  14.529
  423    HA   ASN  52           HA       ASN  52  12.921  17.781  13.059
  424   1HB   ASN  52          HB2       ASN  52  12.453  18.719  14.969
  425   2HB   ASN  52          HB3       ASN  52  12.292  17.165  15.750
  426   1HD2  ASN  52          HD22      ASN  52  14.105  16.363  17.057
  427   2HD2  ASN  52          HD21      ASN  52  15.327  17.488  17.614
  428    H    GLU  53           H        GLU  53  15.126  15.489  14.860
  429    HA   GLU  53           HA       GLU  53  17.384  17.149  14.076
  430   1HB   GLU  53          HB2       GLU  53  18.824  15.483  15.014
  431   2HB   GLU  53          HB3       GLU  53  17.527  15.897  16.129
  432   1HG   GLU  53          HG2       GLU  53  16.399  13.812  15.738
  433   2HG   GLU  53          HG3       GLU  53  17.460  13.400  14.385
  434    H    PHE  54           H        PHE  54  15.794  14.306  12.673
  435    HA   PHE  54           HA       PHE  54  17.730  13.563  10.736
  436   1HB   PHE  54          HB2       PHE  54  15.846  12.184  11.404
  437   2HB   PHE  54          HB3       PHE  54  14.699  13.420  10.897
  438    HD1  PHE  54           HD1      PHE  54  16.618  10.555   9.869
  439    HD2  PHE  54           HD2      PHE  54  14.470  14.015   8.459
  440    HE1  PHE  54           HE1      PHE  54  16.483   9.556   7.602
  441    HE2  PHE  54           HE2      PHE  54  14.437  13.059   6.169
  442    HZ   PHE  54           HZ       PHE  54  15.466  10.872   5.721
  443    H    ARG  55           H        ARG  55  14.934  15.826  10.760
  444    HA   ARG  55           HA       ARG  55  15.164  16.668   8.143
  445   1HB   ARG  55          HB2       ARG  55  13.174  17.165   9.222
  446   2HB   ARG  55          HB3       ARG  55  13.948  17.835  10.628
  447   1HG   ARG  55          HG2       ARG  55  13.822  19.252   7.933
  448   2HG   ARG  55          HG3       ARG  55  12.648  19.442   9.229
  449   1HD   ARG  55          HD2       ARG  55  15.500  20.418   9.159
  450   2HD   ARG  55          HD3       ARG  55  14.041  21.324   9.443
  451    HE   ARG  55           HE       ARG  55  15.302  19.385  11.339
  452   1HH1  ARG  55          HH21      ARG  55  12.956  22.068  10.987
  453   2HH1  ARG  55          HH22      ARG  55  12.656  22.062  12.691
  454   1HH2  ARG  55          HH11      ARG  55  15.107  19.773  13.566
  455   2HH2  ARG  55          HH12      ARG  55  14.071  21.049  14.151
  456    H    ASP  56           H        ASP  56  16.962  17.893  11.014
  457    HA   ASP  56           HA       ASP  56  18.017  20.159   9.500
  458   1HB   ASP  56          HB2       ASP  56  17.830  20.237  11.913
  459   2HB   ASP  56          HB3       ASP  56  18.890  18.824  12.065
  460    H    LYS  57           H        LYS  57  19.164  16.890  10.450
  461    HA   LYS  57           HA       LYS  57  21.769  17.272   9.466
  462   1HB   LYS  57          HB2       LYS  57  20.147  14.756   9.969
  463   2HB   LYS  57          HB3       LYS  57  21.850  14.707   9.499
  464   1HG   LYS  57          HG2       LYS  57  22.519  16.000  11.458
  465   2HG   LYS  57          HG3       LYS  57  20.850  16.192  11.971
  466   1HD   LYS  57          HD2       LYS  57  22.429  13.593  11.855
  467   2HD   LYS  57          HD3       LYS  57  21.929  14.486  13.303
  468   1HE   LYS  57          HE2       LYS  57  19.507  14.122  12.571
  469   2HE   LYS  57          HE3       LYS  57  20.128  13.062  11.301
  470   1HZ   LYS  57          HZ1       LYS  57  21.196  11.775  13.178
  471   2HZ   LYS  57          HZ2       LYS  57  20.202  12.607  14.217
  472   3HZ   LYS  57          HZ3       LYS  57  19.590  11.665  13.013
  473    H    TYR  58           H        TYR  58  18.824  16.217   7.790
  474    HA   TYR  58           HA       TYR  58  20.467  15.729   5.357
  475   1HB   TYR  58          HB2       TYR  58  17.828  14.453   6.065
  476   2HB   TYR  58          HB3       TYR  58  18.921  14.013   4.758
  477    HD1  TYR  58           HD1      TYR  58  17.852  12.981   7.876
  478    HD2  TYR  58           HD2      TYR  58  21.513  13.595   5.699
  479    HE1  TYR  58           HE1      TYR  58  19.060  11.601   9.536
  480    HE2  TYR  58           HE2      TYR  58  22.740  12.234   7.355
  481    HH   TYR  58           HH       TYR  58  22.624  11.186   9.457
  482    H    GLN  59           H        GLN  59  18.310  18.159   6.410
  483    HA   GLN  59           HA       GLN  59  16.779  18.467   4.103
  484   1HB   GLN  59          HB2       GLN  59  16.739  20.933   4.604
  485   2HB   GLN  59          HB3       GLN  59  16.215  19.859   5.873
  486   1HG   GLN  59          HG2       GLN  59  17.507  21.737   6.756
  487   2HG   GLN  59          HG3       GLN  59  18.263  20.211   7.128
  488   1HE2  GLN  59          HE21      GLN  59  20.440  20.284   7.031
  489   2HE2  GLN  59          HE22      GLN  59  21.365  21.237   5.883
  490    H    ASP  60           H        ASP  60  20.179  18.763   4.176
  491    HA   ASP  60           HA       ASP  60  20.252  20.241   1.586
  492   1HB   ASP  60          HB2       ASP  60  21.588  21.098   3.510
  493   2HB   ASP  60          HB3       ASP  60  22.480  19.578   3.548
  494    H    GLN  61           H        GLN  61  19.793  17.152   2.391
  495    HA   GLN  61           HA       GLN  61  21.705  15.992   0.410
  496   1HB   GLN  61          HB2       GLN  61  21.036  14.822   3.138
  497   2HB   GLN  61          HB3       GLN  61  22.121  14.150   1.919
  498   1HG   GLN  61          HG2       GLN  61  23.536  16.258   2.146
  499   2HG   GLN  61          HG3       GLN  61  22.534  16.708   3.528
  500   1HE2  GLN  61          HE22      GLN  61  23.010  15.760   5.586
  501   2HE2  GLN  61          HE21      GLN  61  24.250  14.550   5.769
  502    H    LEU  62           H        LEU  62  18.450  15.978   1.855
  503    HA   LEU  62           HA       LEU  62  17.422  14.185  -0.172
  504   1HB   LEU  62          HB2       LEU  62  17.967  12.424   1.158
  505   2HB   LEU  62          HB3       LEU  62  17.982  13.334   2.648
  506    HG   LEU  62           HG       LEU  62  15.315  12.725   1.352
  507   1HD1  LEU  62          HD11      LEU  62  16.531  10.547   1.460
  508   2HD1  LEU  62          HD12      LEU  62  16.817  10.830   3.187
  509   3HD1  LEU  62          HD13      LEU  62  15.172  10.620   2.581
  510   1HD2  LEU  62          HD21      LEU  62  15.457  14.262   3.310
  511   2HD2  LEU  62          HD22      LEU  62  14.539  12.798   3.645
  512   3HD2  LEU  62          HD23      LEU  62  16.204  12.963   4.253
  513    H    ASN  63           H        ASN  63  15.087  14.267  -0.101
  514    HA   ASN  63           HA       ASN  63  14.101  16.926   0.786
  515   1HB   ASN  63          HB2       ASN  63  12.837  14.843  -1.057
  516   2HB   ASN  63          HB3       ASN  63  12.169  16.421  -0.657
  517   1HD2  ASN  63          HD22      ASN  63  14.915  14.770  -2.207
  518   2HD2  ASN  63          HD21      ASN  63  15.254  16.056  -3.333
  519    H    VAL  64           H        VAL  64  13.311  16.835   2.852
  520    HA   VAL  64           HA       VAL  64  12.017  14.377   3.854
  521    HB   VAL  64           HB       VAL  64  12.172  17.064   5.272
  522   1HG1  VAL  64          HG11      VAL  64  12.300  14.185   6.282
  523   2HG1  VAL  64          HG12      VAL  64  12.206  15.651   7.287
  524   3HG1  VAL  64          HG13      VAL  64  10.837  15.177   6.265
  525   1HG2  VAL  64          HG21      VAL  64  14.425  15.028   5.145
  526   2HG2  VAL  64          HG22      VAL  64  14.497  16.713   4.603
  527   3HG2  VAL  64          HG23      VAL  64  14.309  16.365   6.310
  528    H    VAL  65           H        VAL  65   9.744  14.169   3.886
  529    HA   VAL  65           HA       VAL  65   8.064  16.521   3.892
  530    HB   VAL  65           HB       VAL  65   8.452  16.329   1.497
  531   1HG1  VAL  65          HG11      VAL  65   7.745  14.329   0.204
  532   2HG1  VAL  65          HG12      VAL  65   9.120  14.006   1.259
  533   3HG1  VAL  65          HG13      VAL  65   7.493  13.464   1.730
  534   1HG2  VAL  65          HG21      VAL  65   6.169  16.976   2.190
  535   2HG2  VAL  65          HG22      VAL  65   6.239  16.190   0.615
  536   3HG2  VAL  65          HG23      VAL  65   5.655  15.282   2.021
  537    H    ALA  66           H        ALA  66   5.787  15.816   4.401
  538    HA   ALA  66           HA       ALA  66   5.614  13.041   5.422
  539   1HB   ALA  66          HB1       ALA  66   4.994  15.468   7.135
  540   2HB   ALA  66          HB2       ALA  66   5.008  13.764   7.626
  541   3HB   ALA  66          HB3       ALA  66   6.521  14.588   7.201
  542    H    VAL  67           H        VAL  67   3.449  12.528   6.231
  543    HA   VAL  67           HA       VAL  67   1.227  13.994   4.959
  544    HB   VAL  67           HB       VAL  67   1.662  10.989   4.735
  545   1HG1  VAL  67          HG11      VAL  67  -0.193  11.123   3.084
  546   2HG1  VAL  67          HG12      VAL  67  -0.701  11.689   4.677
  547   3HG1  VAL  67          HG13      VAL  67  -0.338  12.866   3.397
  548   1HG2  VAL  67          HG21      VAL  67   3.345  11.957   3.294
  549   2HG2  VAL  67          HG22      VAL  67   2.031  11.370   2.280
  550   3HG2  VAL  67          HG23      VAL  67   2.178  13.111   2.616
  551    H    HIS  68           H        HIS  68  -0.593  13.914   6.355
  552    HA   HIS  68           HA       HIS  68  -0.136  12.427   8.911
  553   1HB   HIS  68          HB2       HIS  68  -0.093  15.045   8.828
  554   2HB   HIS  68          HB3       HIS  68  -1.847  14.900   8.721
  555    HD1  HIS  68           HD1      HIS  68   1.023  14.493  11.148
  556    HD2  HIS  68           HD2      HIS  68  -3.042  13.448  10.848
  557    HE1  HIS  68           HE1      HIS  68   0.311  13.729  13.443
  558    H    MET  69           H        MET  69  -1.483  10.716   9.121
  559    HA   MET  69           HA       MET  69  -3.926  10.631   7.455
  560   1HB   MET  69          HB2       MET  69  -2.475   8.616   7.676
  561   2HB   MET  69          HB3       MET  69  -2.888   8.542   9.392
  562   1HG   MET  69          HG2       MET  69  -5.360   8.551   8.610
  563   2HG   MET  69          HG3       MET  69  -4.735   8.234   6.996
  564   1HE   MET  69          HE1       MET  69  -2.379   6.192   7.408
  565   2HE   MET  69          HE2       MET  69  -3.199   4.616   7.480
  566   3HE   MET  69          HE3       MET  69  -3.707   5.821   6.277
  567    HA   PRO  70           HA       PRO  70  -6.199  12.011  11.217
  568   1HB   PRO  70          HB2       PRO  70  -8.622  12.490  10.093
  569   2HB   PRO  70          HB3       PRO  70  -7.222  13.555   9.771
  570   1HG   PRO  70          HG2       PRO  70  -8.243  11.272   8.049
  571   2HG   PRO  70          HG3       PRO  70  -7.871  12.953   7.552
  572   1HD   PRO  70          HD2       PRO  70  -6.072  10.913   7.288
  573   2HD   PRO  70          HD3       PRO  70  -5.571  12.591   7.684
  574    H    ARG  71           H        ARG  71  -5.617   9.583  11.594
  575    HA   ARG  71           HA       ARG  71  -7.547   7.593  10.669
  576   1HB   ARG  71          HB2       ARG  71  -4.983   7.268  11.076
  577   2HB   ARG  71          HB3       ARG  71  -5.411   7.105  12.782
  578   1HG   ARG  71          HG2       ARG  71  -6.955   5.238  12.246
  579   2HG   ARG  71          HG3       ARG  71  -6.668   5.485  10.515
  580   1HD   ARG  71          HD2       ARG  71  -4.303   4.835  10.821
  581   2HD   ARG  71          HD3       ARG  71  -4.592   4.579  12.544
  582    HE   ARG  71           HE       ARG  71  -5.542   2.554  12.077
  583   1HH1  ARG  71          HH11      ARG  71  -5.473   4.381   9.019
  584   2HH1  ARG  71          HH12      ARG  71  -6.122   3.071   8.072
  585   1HH2  ARG  71          HH21      ARG  71  -6.303   0.795  10.754
  586   2HH2  ARG  71          HH22      ARG  71  -6.500   1.020   9.038
  587    H    SER  72           H        SER  72  -7.114   9.615  13.515
  588    HA   SER  72           HA       SER  72  -9.413   8.297  14.875
  589   1HB   SER  72          HB2       SER  72  -6.681   8.982  16.027
  590   2HB   SER  72          HB3       SER  72  -8.072   8.417  16.974
  591    HG   SER  72           HG       SER  72  -6.641   6.712  16.446
  592    H    GLU  73           H        GLU  73 -10.282   9.729  16.617
  593    HA   GLU  73           HA       GLU  73 -10.940  12.161  15.411
  594   1HB   GLU  73          HB2       GLU  73 -11.398  11.299  18.285
  595   2HB   GLU  73          HB3       GLU  73 -12.201  12.650  17.460
  596   1HG   GLU  73          HG2       GLU  73 -13.135  11.078  15.781
  597   2HG   GLU  73          HG3       GLU  73 -12.401   9.722  16.639
  598    H    ASP  74           H        ASP  74  -8.154  11.565  17.423
  599    HA   ASP  74           HA       ASP  74  -7.998  14.369  18.258
  600   1HB   ASP  74          HB2       ASP  74  -7.221  12.327  19.634
  601   2HB   ASP  74          HB3       ASP  74  -5.783  12.358  18.604
  602    H    ASP  75           H        ASP  75  -6.869  12.452  15.532
  603    HA   ASP  75           HA       ASP  75  -5.233  14.738  14.592
  604   1HB   ASP  75          HB2       ASP  75  -4.431  12.878  12.928
  605   2HB   ASP  75          HB3       ASP  75  -3.731  13.085  14.518
  606    H    LEU  76           H        LEU  76  -8.332  13.753  14.454
  607    HA   LEU  76           HA       LEU  76  -8.937  13.963  11.672
  608   1HB   LEU  76          HB2       LEU  76 -10.281  12.766  13.287
  609   2HB   LEU  76          HB3       LEU  76 -10.390  14.202  14.318
  610    HG   LEU  76           HG       LEU  76 -11.742  15.325  12.732
  611   1HD1  LEU  76          HD11      LEU  76 -11.021  14.274  10.588
  612   2HD1  LEU  76          HD12      LEU  76 -11.678  12.716  11.121
  613   3HD1  LEU  76          HD13      LEU  76 -12.766  14.083  10.787
  614   1HD2  LEU  76          HD21      LEU  76 -13.789  13.967  13.071
  615   2HD2  LEU  76          HD22      LEU  76 -12.784  12.543  13.425
  616   3HD2  LEU  76          HD23      LEU  76 -12.759  13.945  14.513
  617    H    ASP  77           H        ASP  77  -7.810  16.278  13.966
  618    HA   ASP  77           HA       ASP  77  -9.238  18.524  12.638
  619   1HB   ASP  77          HB2       ASP  77  -9.716  18.243  15.044
  620   2HB   ASP  77          HB3       ASP  77  -7.986  18.402  15.379
  621    HA   PRO  78           HA       PRO  78  -5.042  19.183  11.163
  622   1HB   PRO  78          HB2       PRO  78  -5.423  21.405   9.628
  623   2HB   PRO  78          HB3       PRO  78  -5.926  19.749   9.150
  624   1HG   PRO  78          HG2       PRO  78  -7.621  21.951  10.353
  625   2HG   PRO  78          HG3       PRO  78  -8.013  20.874   8.971
  626   1HD   PRO  78          HD2       PRO  78  -8.905  20.401  11.520
  627   2HD   PRO  78          HD3       PRO  78  -8.493  19.064  10.406
  628    H    GLY  79           H        GLY  79  -6.738  21.364  13.295
  629   1HA   GLY  79          HA2       GLY  79  -4.612  23.404  13.390
  630   2HA   GLY  79          HA3       GLY  79  -6.071  23.281  14.402
  631    H    LYS  80           H        LYS  80  -5.808  20.478  15.045
  632    HA   LYS  80           HA       LYS  80  -3.898  20.574  17.239
  633   1HB   LYS  80          HB2       LYS  80  -5.352  18.215  15.960
  634   2HB   LYS  80          HB3       LYS  80  -4.336  18.121  17.398
  635   1HG   LYS  80          HG2       LYS  80  -5.810  19.638  18.626
  636   2HG   LYS  80          HG3       LYS  80  -6.854  19.828  17.195
  637   1HD   LYS  80          HD2       LYS  80  -7.310  17.425  17.171
  638   2HD   LYS  80          HD3       LYS  80  -6.211  17.170  18.539
  639   1HE   LYS  80          HE2       LYS  80  -7.673  18.692  19.917
  640   2HE   LYS  80          HE3       LYS  80  -8.807  18.783  18.556
  641   1HZ   LYS  80          HZ1       LYS  80  -9.204  16.438  18.774
  642   2HZ   LYS  80          HZ2       LYS  80  -8.003  16.254  19.890
  643   3HZ   LYS  80          HZ3       LYS  80  -9.372  17.089  20.262
  644    H    ILE  81           H        ILE  81  -3.893  19.020  13.980
  645    HA   ILE  81           HA       ILE  81  -1.356  17.806  14.247
  646    HB   ILE  81           HB       ILE  81  -2.788  18.853  11.774
  647   1HG1  ILE  81          HG12      ILE  81  -2.508  16.007  12.804
  648   2HG1  ILE  81          HG13      ILE  81  -3.893  17.007  13.185
  649   1HG2  ILE  81          HG21      ILE  81  -0.359  16.990  12.001
  650   2HG2  ILE  81          HG22      ILE  81  -1.224  17.338  10.491
  651   3HG2  ILE  81          HG23      ILE  81  -0.350  18.616  11.304
  652   1HD1  ILE  81          HD11      ILE  81  -3.113  16.317  10.323
  653   2HD1  ILE  81          HD12      ILE  81  -4.302  15.465  11.291
  654   3HD1  ILE  81          HD13      ILE  81  -4.575  17.158  10.880
  655    H    LYS  82           H        LYS  82  -2.130  21.093  12.791
  656    HA   LYS  82           HA       LYS  82   0.450  21.952  12.365
  657   1HB   LYS  82          HB2       LYS  82  -1.752  22.865  11.618
  658   2HB   LYS  82          HB3       LYS  82  -2.076  23.429  13.246
  659   1HG   LYS  82          HG2       LYS  82   0.026  24.488  11.314
  660   2HG   LYS  82          HG3       LYS  82  -1.491  25.245  11.802
  661   1HD   LYS  82          HD2       LYS  82  -0.587  25.071  14.216
  662   2HD   LYS  82          HD3       LYS  82   0.974  24.723  13.445
  663   1HE   LYS  82          HE2       LYS  82   0.985  27.061  13.954
  664   2HE   LYS  82          HE3       LYS  82   0.865  26.880  12.202
  665   1HZ   LYS  82          HZ1       LYS  82  -1.401  27.497  14.021
  666   2HZ   LYS  82          HZ2       LYS  82  -0.650  28.562  13.049
  667   3HZ   LYS  82          HZ3       LYS  82  -1.518  27.353  12.393
  668    H    GLU  83           H        GLU  83  -1.496  22.381  15.421
  669    HA   GLU  83           HA       GLU  83   0.561  23.777  16.771
  670   1HB   GLU  83          HB2       GLU  83  -1.839  23.764  17.374
  671   2HB   GLU  83          HB3       GLU  83  -1.707  22.082  17.908
  672   1HG   GLU  83          HG2       GLU  83  -0.107  22.751  19.669
  673   2HG   GLU  83          HG3       GLU  83  -0.125  24.416  19.079
  674    H    THR  84           H        THR  84  -0.175  20.274  16.671
  675    HA   THR  84           HA       THR  84   1.711  19.425  18.626
  676    HB   THR  84           HB       THR  84   0.439  18.094  16.190
  677    HG1  THR  84           HG1      THR  84  -1.077  18.608  17.590
  678   1HG2  THR  84          HG21      THR  84   2.049  16.858  18.430
  679   2HG2  THR  84          HG22      THR  84   0.899  15.934  17.441
  680   3HG2  THR  84          HG23      THR  84   2.272  16.736  16.660
  681    H    ALA  85           H        ALA  85   1.957  19.603  15.042
  682    HA   ALA  85           HA       ALA  85   4.637  18.849  14.759
  683   1HB   ALA  85          HB1       ALA  85   3.062  19.066  12.910
  684   2HB   ALA  85          HB2       ALA  85   2.939  20.820  13.166
  685   3HB   ALA  85          HB3       ALA  85   4.459  20.125  12.601
  686    H    ALA  86           H        ALA  86   3.288  22.123  15.321
  687    HA   ALA  86           HA       ALA  86   5.647  23.617  15.096
  688   1HB   ALA  86          HB1       ALA  86   3.323  24.541  15.360
  689   2HB   ALA  86          HB2       ALA  86   3.383  24.078  17.084
  690   3HB   ALA  86          HB3       ALA  86   4.504  25.295  16.455
  691    H    GLU  87           H        GLU  87   4.564  21.548  17.741
  692    HA   GLU  87           HA       GLU  87   6.565  22.603  19.642
  693   1HB   GLU  87          HB2       GLU  87   4.300  20.586  19.752
  694   2HB   GLU  87          HB3       GLU  87   5.474  20.719  21.067
  695   1HG   GLU  87          HG2       GLU  87   3.737  23.010  20.041
  696   2HG   GLU  87          HG3       GLU  87   3.349  21.996  21.424
  697    H    HIS  88           H        HIS  88   5.927  19.652  17.684
  698    HA   HIS  88           HA       HIS  88   8.273  18.246  18.476
  699   1HB   HIS  88          HB2       HIS  88   6.634  18.152  15.912
  700   2HB   HIS  88          HB3       HIS  88   7.880  16.987  16.359
  701    HD1  HIS  88           HD1      HIS  88   6.978  16.736  19.495
  702    HD2  HIS  88           HD2      HIS  88   4.610  16.381  16.026
  703    HE1  HIS  88           HE1      HIS  88   5.007  15.291  20.123
  704    H    ASP  89           H        ASP  89   8.064  21.101  16.544
  705    HA   ASP  89           HA       ASP  89   9.644  22.384  15.637
  706   1HB   ASP  89          HB2       ASP  89  11.166  21.526  17.494
  707   2HB   ASP  89          HB3       ASP  89  11.810  20.358  16.337
  708    H    ILE  90           H        ILE  90   8.263  20.026  14.254
  709    HA   ILE  90           HA       ILE  90  10.188  19.256  12.182
  710    HB   ILE  90           HB       ILE  90   8.308  17.935  11.315
  711   1HG1  ILE  90          HG12      ILE  90   6.690  19.090  13.578
  712   2HG1  ILE  90          HG13      ILE  90   6.386  19.190  11.835
  713   1HG2  ILE  90          HG21      ILE  90   9.962  17.156  13.054
  714   2HG2  ILE  90          HG22      ILE  90   8.703  17.428  14.265
  715   3HG2  ILE  90          HG23      ILE  90   8.459  16.250  12.951
  716   1HD1  ILE  90          HD11      ILE  90   6.127  16.675  11.830
  717   2HD1  ILE  90          HD12      ILE  90   6.136  16.770  13.621
  718   3HD1  ILE  90          HD13      ILE  90   4.886  17.597  12.691
  719    H    THR  91           H        THR  91  10.548  20.410  10.416
  720    HA   THR  91           HA       THR  91   8.571  22.482   9.609
  721    HB   THR  91           HB       THR  91  10.473  23.890   9.015
  722    HG1  THR  91           HG1      THR  91  12.157  22.635   8.697
  723   1HG2  THR  91          HG21      THR  91  10.554  22.939  11.920
  724   2HG2  THR  91          HG22      THR  91  11.176  24.476  11.288
  725   3HG2  THR  91          HG23      THR  91   9.438  24.131  11.248
  726    H    GLN  92           H        GLN  92   9.660  19.527   8.593
  727    HA   GLN  92           HA       GLN  92  10.189  20.062   5.822
  728   1HB   GLN  92          HB2       GLN  92   9.804  17.780   5.427
  729   2HB   GLN  92          HB3       GLN  92  10.669  17.860   6.943
  730   1HG   GLN  92          HG2       GLN  92   7.638  17.442   6.746
  731   2HG   GLN  92          HG3       GLN  92   8.788  16.132   6.681
  732   1HE2  GLN  92          HE22      GLN  92   7.239  15.538   8.644
  733   2HE2  GLN  92          HE21      GLN  92   7.830  16.089  10.170
  734    HA   PRO  93           HA       PRO  93   5.972  21.037   4.497
  735   1HB   PRO  93          HB2       PRO  93   5.869  19.555   2.114
  736   2HB   PRO  93          HB3       PRO  93   6.549  21.203   2.295
  737   1HG   PRO  93          HG2       PRO  93   8.008  18.564   2.273
  738   2HG   PRO  93          HG3       PRO  93   8.480  20.109   1.498
  739   1HD   PRO  93          HD2       PRO  93   9.590  19.322   3.806
  740   2HD   PRO  93          HD3       PRO  93   9.185  21.038   3.528
  741    H    ILE  94           H        ILE  94   3.995  20.099   4.970
  742    HA   ILE  94           HA       ILE  94   3.786  17.163   5.209
  743    HB   ILE  94           HB       ILE  94   2.770  19.095   7.325
  744   1HG1  ILE  94          HG12      ILE  94   5.375  17.600   7.250
  745   2HG1  ILE  94          HG13      ILE  94   5.020  19.286   7.623
  746   1HG2  ILE  94          HG21      ILE  94   1.433  17.067   7.126
  747   2HG2  ILE  94          HG22      ILE  94   2.870  16.052   7.279
  748   3HG2  ILE  94          HG23      ILE  94   2.313  17.049   8.641
  749   1HD1  ILE  94          HD11      ILE  94   4.020  18.562   9.802
  750   2HD1  ILE  94          HD12      ILE  94   4.622  16.917   9.445
  751   3HD1  ILE  94          HD13      ILE  94   5.754  18.262   9.625
  752    H    PHE  95           H        PHE  95   1.768  16.492   4.376
  753    HA   PHE  95           HA       PHE  95  -0.285  18.623   4.084
  754   1HB   PHE  95          HB2       PHE  95  -0.815  18.226   1.971
  755   2HB   PHE  95          HB3       PHE  95   0.904  17.945   1.866
  756    HD1  PHE  95           HD1      PHE  95  -2.464  16.450   1.758
  757    HD2  PHE  95           HD2      PHE  95   1.760  15.632   1.413
  758    HE1  PHE  95           HE1      PHE  95  -2.964  14.282   0.670
  759    HE2  PHE  95           HE2      PHE  95   1.241  13.477   0.296
  760    HZ   PHE  95           HZ       PHE  95  -1.137  12.796  -0.080
  761    H    VAL  96           H        VAL  96  -2.398  17.955   4.225
  762    HA   VAL  96           HA       VAL  96  -2.904  15.262   5.407
  763    HB   VAL  96           HB       VAL  96  -4.311  17.808   6.277
  764   1HG1  VAL  96          HG11      VAL  96  -3.880  15.189   7.741
  765   2HG1  VAL  96          HG12      VAL  96  -4.955  16.518   8.213
  766   3HG1  VAL  96          HG13      VAL  96  -5.302  15.545   6.770
  767   1HG2  VAL  96          HG21      VAL  96  -1.738  16.724   7.469
  768   2HG2  VAL  96          HG22      VAL  96  -2.054  18.359   6.873
  769   3HG2  VAL  96          HG23      VAL  96  -2.850  17.806   8.347
  770    H    ASP  97           H        ASP  97  -4.857  14.341   4.656
  771    HA   ASP  97           HA       ASP  97  -6.690  16.052   3.102
  772   1HB   ASP  97          HB2       ASP  97  -4.979  15.025   1.581
  773   2HB   ASP  97          HB3       ASP  97  -5.607  13.442   2.035
  774    H    SER  98           H        SER  98  -8.784  15.150   2.795
  775    HA   SER  98           HA       SER  98  -9.739  13.502   4.948
  776   1HB   SER  98          HB2       SER  98 -11.152  14.350   2.388
  777   2HB   SER  98          HB3       SER  98 -11.895  13.901   3.937
  778    HG   SER  98           HG       SER  98 -11.783  16.176   3.644
  779    H    ASP  99           H        ASP  99  -8.409  12.765   1.783
  780    HA   ASP  99           HA       ASP  99  -9.531  10.000   1.899
  781   1HB   ASP  99          HB2       ASP  99 -10.657  11.344   0.207
  782   2HB   ASP  99          HB3       ASP  99  -9.116  11.831  -0.488
  783    H    HIS 100           H        HIS 100  -6.754  12.033   0.762
  784    HA   HIS 100           HA       HIS 100  -4.635  11.696   0.461
  785   1HB   HIS 100          HB2       HIS 100  -4.935   9.117   2.040
  786   2HB   HIS 100          HB3       HIS 100  -3.427   9.721   1.375
  787    HD1  HIS 100           HD1      HIS 100  -5.419  10.095   4.464
  788    HD2  HIS 100           HD2      HIS 100  -2.901  12.451   2.077
  789    HE1  HIS 100           HE1      HIS 100  -4.666  12.067   5.898
  790    H    ALA 101           H        ALA 101  -4.738  11.794  -1.676
  791    HA   ALA 101           HA       ALA 101  -6.257  10.096  -3.278
  792   1HB   ALA 101          HB1       ALA 101  -5.075  11.178  -5.168
  793   2HB   ALA 101          HB2       ALA 101  -5.558  12.355  -3.929
  794   3HB   ALA 101          HB3       ALA 101  -3.866  11.815  -4.030
  795    H    LEU 102           H        LEU 102  -3.082   9.464  -2.040
  796    HA   LEU 102           HA       LEU 102  -2.393   7.537  -4.136
  797   1HB   LEU 102          HB2       LEU 102  -0.608   6.760  -2.933
  798   2HB   LEU 102          HB3       LEU 102  -0.546   8.537  -2.896
  799    HG   LEU 102           HG       LEU 102  -1.361   6.671  -0.610
  800   1HD1  LEU 102          HD11      LEU 102   1.022   6.486  -1.188
  801   2HD1  LEU 102          HD12      LEU 102   1.208   8.249  -1.059
  802   3HD1  LEU 102          HD13      LEU 102   0.806   7.276   0.376
  803   1HD2  LEU 102          HD21      LEU 102  -1.115   8.731   0.806
  804   2HD2  LEU 102          HD22      LEU 102  -0.916   9.701  -0.676
  805   3HD2  LEU 102          HD23      LEU 102  -2.442   8.840  -0.347
  806    H    THR 103           H        THR 103  -4.615   7.398  -1.508
  807    HA   THR 103           HA       THR 103  -4.438   4.575  -1.116
  808    HB   THR 103           HB       THR 103  -6.761   4.704  -0.433
  809    HG1  THR 103           HG1      THR 103  -6.523   7.518  -0.711
  810   1HG2  THR 103          HG21      THR 103  -5.125   4.992   1.299
  811   2HG2  THR 103          HG22      THR 103  -4.888   6.709   0.898
  812   3HG2  THR 103          HG23      THR 103  -6.419   6.149   1.605
  813    H    ASP 104           H        ASP 104  -5.402   6.482  -3.878
  814    HA   ASP 104           HA       ASP 104  -7.109   4.297  -4.926
  815   1HB   ASP 104          HB2       ASP 104  -7.701   6.645  -5.415
  816   2HB   ASP 104          HB3       ASP 104  -6.116   6.888  -6.173
  817    H    ALA 105           H        ALA 105  -3.806   5.297  -4.849
  818    HA   ALA 105           HA       ALA 105  -3.056   3.755  -7.260
  819   1HB   ALA 105          HB1       ALA 105  -0.795   4.511  -6.745
  820   2HB   ALA 105          HB2       ALA 105  -1.912   5.888  -6.754
  821   3HB   ALA 105          HB3       ALA 105  -1.340   5.212  -5.207
  822    H    PHE 106           H        PHE 106  -2.788   3.562  -3.645
  823    HA   PHE 106           HA       PHE 106  -2.008   0.707  -3.896
  824   1HB   PHE 106          HB2       PHE 106  -0.316   2.863  -2.597
  825   2HB   PHE 106          HB3       PHE 106  -0.077   1.137  -2.358
  826    HD1  PHE 106           HD1      PHE 106   0.169  -0.358  -4.512
  827    HD2  PHE 106           HD2      PHE 106   0.781   3.900  -4.433
  828    HE1  PHE 106           HE1      PHE 106   1.442  -0.501  -6.632
  829    HE2  PHE 106           HE2      PHE 106   2.163   3.734  -6.511
  830    HZ   PHE 106           HZ       PHE 106   2.466   1.538  -7.620
  831    H    GLU 107           H        GLU 107  -4.113   2.784  -2.530
  832    HA   GLU 107           HA       GLU 107  -5.432   2.719  -0.675
  833   1HB   GLU 107          HB2       GLU 107  -5.789   0.683  -2.194
  834   2HB   GLU 107          HB3       GLU 107  -5.170  -0.263  -0.833
  835   1HG   GLU 107          HG2       GLU 107  -6.943   0.859   0.615
  836   2HG   GLU 107          HG3       GLU 107  -7.521   1.698  -0.827
  837    H    ASN 108           H        ASN 108  -3.081   3.496   0.184
  838    HA   ASN 108           HA       ASN 108  -1.711   2.484   2.255
  839   1HB   ASN 108          HB2       ASN 108  -1.155   4.671   1.746
  840   2HB   ASN 108          HB3       ASN 108  -2.823   5.211   1.691
  841   1HD2  ASN 108          HD22      ASN 108  -0.474   3.958   4.213
  842   2HD2  ASN 108          HD21      ASN 108  -1.063   5.005   5.460
  843    H    GLU 109           H        GLU 109  -2.165   1.353   3.960
  844    HA   GLU 109           HA       GLU 109  -4.153   2.217   5.932
  845   1HB   GLU 109          HB2       GLU 109  -4.275  -0.331   4.331
  846   2HB   GLU 109          HB3       GLU 109  -4.526  -0.517   6.058
  847   1HG   GLU 109          HG2       GLU 109  -6.149   1.350   4.304
  848   2HG   GLU 109          HG3       GLU 109  -6.639  -0.247   4.857
  849    H    TYR 110           H        TYR 110  -1.558   2.865   6.078
  850    HA   TYR 110           HA       TYR 110  -0.367   1.150   8.100
  851   1HB   TYR 110          HB2       TYR 110   1.812   1.511   6.986
  852   2HB   TYR 110          HB3       TYR 110   0.709   0.500   6.056
  853    HD1  TYR 110           HD1      TYR 110   0.337   0.928   3.760
  854    HD2  TYR 110           HD2      TYR 110   1.982   4.044   6.242
  855    HE1  TYR 110           HE1      TYR 110   0.701   2.337   1.758
  856    HE2  TYR 110           HE2      TYR 110   2.281   5.486   4.270
  857    HH   TYR 110           HH       TYR 110   1.491   4.371   0.936
  858    H    VAL 111           H        VAL 111   0.431   2.399   9.633
  859    HA   VAL 111           HA       VAL 111   1.629   4.907   9.424
  860    HB   VAL 111           HB       VAL 111  -0.686   5.767   9.057
  861   1HG1  VAL 111          HG11      VAL 111  -2.017   4.139  10.308
  862   2HG1  VAL 111          HG12      VAL 111  -1.384   4.799  11.840
  863   3HG1  VAL 111          HG13      VAL 111  -2.358   5.819  10.770
  864   1HG2  VAL 111          HG21      VAL 111  -0.694   7.556  10.565
  865   2HG2  VAL 111          HG22      VAL 111   0.395   6.715  11.690
  866   3HG2  VAL 111          HG23      VAL 111   0.936   7.177  10.038
  867    HA   PRO 112           HA       PRO 112   2.683   6.259  10.897
  868   1HB   PRO 112          HB2       PRO 112   4.873   6.505  12.470
  869   2HB   PRO 112          HB3       PRO 112   3.244   6.987  13.030
  870   1HG   PRO 112          HG2       PRO 112   4.732   4.414  13.615
  871   2HG   PRO 112          HG3       PRO 112   3.814   5.460  14.744
  872   1HD   PRO 112          HD2       PRO 112   2.766   3.184  13.563
  873   2HD   PRO 112          HD3       PRO 112   1.765   4.585  14.040
  874    H    ALA 113           H        ALA 113   4.336   6.349   9.276
  875    HA   ALA 113           HA       ALA 113   6.063   3.948   9.012
  876   1HB   ALA 113          HB1       ALA 113   4.004   4.620   6.886
  877   2HB   ALA 113          HB2       ALA 113   5.214   3.327   6.810
  878   3HB   ALA 113          HB3       ALA 113   3.896   3.220   7.993
  879    H    TYR 114           H        TYR 114   7.486   4.006   7.184
  880    HA   TYR 114           HA       TYR 114   8.237   6.771   6.357
  881   1HB   TYR 114          HB2       TYR 114  10.242   4.738   7.359
  882   2HB   TYR 114          HB3       TYR 114  10.397   6.480   7.200
  883    HD1  TYR 114           HD1      TYR 114   9.371   7.991   8.958
  884    HD2  TYR 114           HD2      TYR 114   9.290   3.699   9.301
  885    HE1  TYR 114           HE1      TYR 114   8.480   8.200  11.254
  886    HE2  TYR 114           HE2      TYR 114   8.461   3.894  11.627
  887    HH   TYR 114           HH       TYR 114   7.637   7.041  13.112
  888    H    TYR 115           H        TYR 115   8.875   6.850   4.250
  889    HA   TYR 115           HA       TYR 115   9.446   4.318   2.769
  890   1HB   TYR 115          HB2       TYR 115   7.508   6.592   2.161
  891   2HB   TYR 115          HB3       TYR 115   8.143   5.504   0.937
  892    HD1  TYR 115           HD1      TYR 115   6.186   5.418   4.171
  893    HD2  TYR 115           HD2      TYR 115   7.073   3.560   0.397
  894    HE1  TYR 115           HE1      TYR 115   4.440   3.716   4.590
  895    HE2  TYR 115           HE2      TYR 115   5.374   1.833   0.821
  896    HH   TYR 115           HH       TYR 115   3.342   1.808   3.763
  897    H    VAL 116           H        VAL 116  11.324   4.493   1.650
  898    HA   VAL 116           HA       VAL 116  12.600   7.200   1.528
  899    HB   VAL 116           HB       VAL 116  13.974   4.471   1.531
  900   1HG1  VAL 116          HG11      VAL 116  15.010   7.315   1.956
  901   2HG1  VAL 116          HG12      VAL 116  15.984   5.833   2.092
  902   3HG1  VAL 116          HG13      VAL 116  15.289   6.300   0.530
  903   1HG2  VAL 116          HG21      VAL 116  13.591   6.374   3.871
  904   2HG2  VAL 116          HG22      VAL 116  12.913   4.732   3.733
  905   3HG2  VAL 116          HG23      VAL 116  14.660   4.949   3.861
  906    H    PHE 117           H        PHE 117  12.952   7.940  -0.548
  907    HA   PHE 117           HA       PHE 117  12.585   5.988  -2.768
  908   1HB   PHE 117          HB2       PHE 117  11.731   8.892  -2.743
  909   2HB   PHE 117          HB3       PHE 117  11.604   7.776  -4.089
  910    HD1  PHE 117           HD1      PHE 117  10.347   8.428  -0.613
  911    HD2  PHE 117           HD2      PHE 117   9.702   6.341  -4.328
  912    HE1  PHE 117           HE1      PHE 117   8.100   7.745   0.143
  913    HE2  PHE 117           HE2      PHE 117   7.452   5.661  -3.562
  914    HZ   PHE 117           HZ       PHE 117   6.635   6.365  -1.318
  915    H    ASP 118           H        ASP 118  13.970   6.072  -4.375
  916    HA   ASP 118           HA       ASP 118  16.540   7.324  -4.282
  917   1HB   ASP 118          HB2       ASP 118  15.781   5.286  -5.610
  918   2HB   ASP 118          HB3       ASP 118  14.886   6.367  -6.671
  919    H    LYS 119           H        LYS 119  17.337   9.090  -5.628
  920    HA   LYS 119           HA       LYS 119  15.790  11.411  -5.733
  921   1HB   LYS 119          HB2       LYS 119  17.635  12.420  -6.684
  922   2HB   LYS 119          HB3       LYS 119  18.340  11.109  -5.768
  923   1HG   LYS 119          HG2       LYS 119  19.508  10.663  -7.647
  924   2HG   LYS 119          HG3       LYS 119  18.024   9.937  -8.270
  925   1HD   LYS 119          HD2       LYS 119  17.451  12.406  -9.032
  926   2HD   LYS 119          HD3       LYS 119  19.158  12.729  -8.756
  927   1HE   LYS 119          HE2       LYS 119  17.982  10.611 -10.595
  928   2HE   LYS 119          HE3       LYS 119  18.559  12.211 -11.100
  929   1HZ   LYS 119          HZ1       LYS 119  20.789  11.571 -10.369
  930   2HZ   LYS 119          HZ2       LYS 119  20.269  10.077  -9.945
  931   3HZ   LYS 119          HZ3       LYS 119  20.241  10.542 -11.503
  932    H    THR 120           H        THR 120  15.573   8.794  -7.939
  933    HA   THR 120           HA       THR 120  14.264  10.539  -9.945
  934    HB   THR 120           HB       THR 120  16.174   8.833 -10.283
  935    HG1  THR 120           HG1      THR 120  15.299   9.918 -11.983
  936   1HG2  THR 120          HG21      THR 120  13.844   6.916 -10.716
  937   2HG2  THR 120          HG22      THR 120  15.572   6.602 -10.969
  938   3HG2  THR 120          HG23      THR 120  14.951   6.840  -9.330
  939    H    GLY 121           H        GLY 121  13.281   8.832  -7.223
  940   1HA   GLY 121          HA2       GLY 121  11.055   9.059  -6.581
  941   2HA   GLY 121          HA3       GLY 121  10.498   8.829  -8.241
  942    H    GLN 122           H        GLN 122  12.760   6.412  -7.711
  943    HA   GLN 122           HA       GLN 122  10.730   4.349  -7.516
  944   1HB   GLN 122          HB2       GLN 122  13.783   4.337  -7.362
  945   2HB   GLN 122          HB3       GLN 122  12.803   2.882  -7.221
  946   1HG   GLN 122          HG2       GLN 122  11.807   3.346  -9.471
  947   2HG   GLN 122          HG3       GLN 122  12.864   4.753  -9.615
  948   1HE2  GLN 122          HE22      GLN 122  13.983   3.911 -11.483
  949   2HE2  GLN 122          HE21      GLN 122  15.073   2.555 -11.356
  950    H    LEU 123           H        LEU 123   9.816   3.656  -5.683
  951    HA   LEU 123           HA       LEU 123  10.511   4.297  -3.034
  952   1HB   LEU 123          HB2       LEU 123   8.323   3.510  -3.648
  953   2HB   LEU 123          HB3       LEU 123   8.959   1.940  -4.134
  954    HG   LEU 123           HG       LEU 123   9.475   1.313  -1.912
  955   1HD1  LEU 123          HD11      LEU 123  10.463   3.318  -0.956
  956   2HD1  LEU 123          HD12      LEU 123   8.916   4.171  -1.028
  957   3HD1  LEU 123          HD13      LEU 123   9.155   2.784   0.072
  958   1HD2  LEU 123          HD21      LEU 123   6.837   2.830  -1.784
  959   2HD2  LEU 123          HD22      LEU 123   7.067   1.254  -2.548
  960   3HD2  LEU 123          HD23      LEU 123   7.307   1.411  -0.808
  961    H    ARG 124           H        ARG 124  12.635   4.015  -2.483
  962    HA   ARG 124           HA       ARG 124  14.164   1.765  -3.445
  963   1HB   ARG 124          HB2       ARG 124  14.766   4.314  -2.991
  964   2HB   ARG 124          HB3       ARG 124  15.074   3.769  -1.350
  965   1HG   ARG 124          HG2       ARG 124  17.096   3.914  -2.613
  966   2HG   ARG 124          HG3       ARG 124  16.810   2.206  -2.249
  967   1HD   ARG 124          HD2       ARG 124  16.673   1.656  -4.479
  968   2HD   ARG 124          HD3       ARG 124  15.664   3.051  -4.848
  969    HE   ARG 124           HE       ARG 124  17.477   4.282  -5.498
  970   1HH1  ARG 124          HH21      ARG 124  18.783   1.399  -3.889
  971   2HH1  ARG 124          HH22      ARG 124  20.431   1.766  -4.259
  972   1HH2  ARG 124          HH11      ARG 124  19.452   4.844  -5.922
  973   2HH2  ARG 124          HH12      ARG 124  20.857   3.936  -5.430
  974    H    HIS 125           H        HIS 125  12.728   2.700  -0.236
  975    HA   HIS 125           HA       HIS 125  12.678  -0.088   0.538
  976   1HB   HIS 125          HB2       HIS 125  15.047   0.718   1.102
  977   2HB   HIS 125          HB3       HIS 125  14.305   1.863   2.213
  978    HD1  HIS 125           HD1      HIS 125  14.884  -1.930   1.764
  979    HD2  HIS 125           HD2      HIS 125  13.394   0.890   4.504
  980    HE1  HIS 125           HE1      HIS 125  14.644  -3.166   3.976
  981    H    PHE 126           H        PHE 126  11.468  -0.264   2.709
  982    HA   PHE 126           HA       PHE 126  10.034   2.153   3.588
  983   1HB   PHE 126          HB2       PHE 126   8.270   1.591   2.319
  984   2HB   PHE 126          HB3       PHE 126   8.821  -0.052   2.030
  985    HD1  PHE 126           HD1      PHE 126   7.095   2.132   4.517
  986    HD2  PHE 126           HD2      PHE 126   7.869  -1.907   3.222
  987    HE1  PHE 126           HE1      PHE 126   5.343   1.294   6.056
  988    HE2  PHE 126           HE2      PHE 126   6.139  -2.739   4.797
  989    HZ   PHE 126           HZ       PHE 126   4.869  -1.122   6.223
  990    H    GLN 127           H        GLN 127   9.272   1.996   5.710
  991    HA   GLN 127           HA       GLN 127   9.759  -0.400   7.349
  992   1HB   GLN 127          HB2       GLN 127  11.892   0.811   7.474
  993   2HB   GLN 127          HB3       GLN 127  11.064   2.343   7.703
  994   1HG   GLN 127          HG2       GLN 127  12.088   1.617   9.774
  995   2HG   GLN 127          HG3       GLN 127  10.350   1.704   9.946
  996   1HE2  GLN 127          HE22      GLN 127  10.315   0.288  11.760
  997   2HE2  GLN 127          HE21      GLN 127  10.649  -1.425  11.599
  998    H    ALA 128           H        ALA 128   8.388  -0.250   9.330
  999    HA   ALA 128           HA       ALA 128   6.834   2.214   9.656
 1000   1HB   ALA 128          HB1       ALA 128   5.316   0.817   8.306
 1001   2HB   ALA 128          HB2       ALA 128   5.528  -0.542   9.434
 1002   3HB   ALA 128          HB3       ALA 128   4.715   0.946   9.966
 1003    H    GLY 129           H        GLY 129   6.368   2.604  11.820
 1004   1HA   GLY 129          HA2       GLY 129   6.858   2.600  14.057
 1005   2HA   GLY 129          HA3       GLY 129   6.759   0.835  14.015
 1006    H    GLY 130           H        GLY 130   8.521   1.450  15.742
 1007   1HA   GLY 130          HA2       GLY 130  10.839   0.274  15.321
 1008   2HA   GLY 130          HA3       GLY 130  11.220   1.824  14.560
 1009    H    SER 131           H        SER 131   9.183   1.618  17.513
 1010    HA   SER 131           HA       SER 131   9.312   2.905  19.377
 1011   1HB   SER 131          HB2       SER 131  12.094   1.702  19.530
 1012   2HB   SER 131          HB3       SER 131  11.098   2.274  20.879
 1013    HG   SER 131           HG       SER 131  10.983  -0.004  20.592
 1014    H    GLY 132           H        GLY 132   9.954   4.339  16.994
 1015   1HA   GLY 132          HA2       GLY 132  10.613   6.864  17.289
 1016   2HA   GLY 132          HA3       GLY 132  12.203   6.127  17.577
 1017    H    MET 133           H        MET 133  13.089   6.799  15.524
 1018    HA   MET 133           HA       MET 133  12.381   4.906  13.388
 1019   1HB   MET 133          HB2       MET 133  12.202   6.480  11.624
 1020   2HB   MET 133          HB3       MET 133  11.018   6.891  12.850
 1021   1HG   MET 133          HG2       MET 133  12.322   8.790  13.581
 1022   2HG   MET 133          HG3       MET 133  13.711   8.282  12.614
 1023   1HE   MET 133          HE1       MET 133  14.332   9.950  10.918
 1024   2HE   MET 133          HE2       MET 133  13.203  11.190  10.335
 1025   3HE   MET 133          HE3       MET 133  13.513  11.012  12.077
 1026    H    LYS 134           H        LYS 134  14.698   5.099  15.256
 1027    HA   LYS 134           HA       LYS 134  16.868   6.284  13.823
 1028   1HB   LYS 134          HB2       LYS 134  16.929   5.644  16.282
 1029   2HB   LYS 134          HB3       LYS 134  17.036   3.956  15.792
 1030   1HG   LYS 134          HG2       LYS 134  19.244   4.749  16.343
 1031   2HG   LYS 134          HG3       LYS 134  19.187   4.446  14.614
 1032   1HD   LYS 134          HD2       LYS 134  18.801   6.982  14.304
 1033   2HD   LYS 134          HD3       LYS 134  19.110   7.137  16.045
 1034   1HE   LYS 134          HE2       LYS 134  21.337   5.973  15.636
 1035   2HE   LYS 134          HE3       LYS 134  20.973   6.029  13.899
 1036   1HZ   LYS 134          HZ1       LYS 134  21.270   8.396  15.654
 1037   2HZ   LYS 134          HZ2       LYS 134  22.358   7.885  14.552
 1038   3HZ   LYS 134          HZ3       LYS 134  20.905   8.454  14.053
 1039    H    MET 135           H        MET 135  15.393   3.055  13.504
 1040    HA   MET 135           HA       MET 135  17.465   1.894  11.937
 1041   1HB   MET 135          HB2       MET 135  15.358   0.846  13.082
 1042   2HB   MET 135          HB3       MET 135  14.516   1.249  11.594
 1043   1HG   MET 135          HG2       MET 135  16.918  -0.573  11.996
 1044   2HG   MET 135          HG3       MET 135  15.285  -1.054  11.571
 1045   1HE   MET 135          HE1       MET 135  15.121   0.354   7.815
 1046   2HE   MET 135          HE2       MET 135  14.179  -0.458   9.093
 1047   3HE   MET 135          HE3       MET 135  14.692   1.232   9.295
 1048    H    LEU 136           H        LEU 136  14.518   3.771  11.044
 1049    HA   LEU 136           HA       LEU 136  14.831   3.783   8.238
 1050   1HB   LEU 136          HB2       LEU 136  12.819   4.592   9.351
 1051   2HB   LEU 136          HB3       LEU 136  13.708   5.883  10.133
 1052    HG   LEU 136           HG       LEU 136  12.281   6.609   8.298
 1053   1HD1  LEU 136          HD11      LEU 136  13.580   8.276   7.412
 1054   2HD1  LEU 136          HD12      LEU 136  14.192   7.982   9.040
 1055   3HD1  LEU 136          HD13      LEU 136  15.086   7.402   7.616
 1056   1HD2  LEU 136          HD21      LEU 136  14.263   5.325   6.396
 1057   2HD2  LEU 136          HD22      LEU 136  12.693   4.612   6.823
 1058   3HD2  LEU 136          HD23      LEU 136  12.752   6.176   6.009
 1059    H    GLU 137           H        GLU 137  16.207   6.000  10.733
 1060    HA   GLU 137           HA       GLU 137  17.542   7.675   8.923
 1061   1HB   GLU 137          HB2       GLU 137  17.208   8.124  11.321
 1062   2HB   GLU 137          HB3       GLU 137  18.457   6.937  11.726
 1063   1HG   GLU 137          HG2       GLU 137  20.167   8.218  10.607
 1064   2HG   GLU 137          HG3       GLU 137  18.970   9.283   9.860
 1065    H    LYS 138           H        LYS 138  18.563   4.423  10.056
 1066    HA   LYS 138           HA       LYS 138  21.250   4.650   8.960
 1067   1HB   LYS 138          HB2       LYS 138  19.696   2.043   9.188
 1068   2HB   LYS 138          HB3       LYS 138  21.429   2.286   9.203
 1069   1HG   LYS 138          HG2       LYS 138  19.424   2.823  11.395
 1070   2HG   LYS 138          HG3       LYS 138  20.729   1.665  11.403
 1071   1HD   LYS 138          HD2       LYS 138  20.968   4.694  11.549
 1072   2HD   LYS 138          HD3       LYS 138  21.183   3.569  12.877
 1073   1HE   LYS 138          HE2       LYS 138  22.958   3.688  10.387
 1074   2HE   LYS 138          HE3       LYS 138  23.332   4.459  11.926
 1075   1HZ   LYS 138          HZ1       LYS 138  23.374   2.265  12.959
 1076   2HZ   LYS 138          HZ2       LYS 138  23.051   1.534  11.530
 1077   3HZ   LYS 138          HZ3       LYS 138  24.445   2.345  11.739
 1078    H    ARG 139           H        ARG 139  18.064   3.454   7.791
 1079    HA   ARG 139           HA       ARG 139  19.093   2.548   5.333
 1080   1HB   ARG 139          HB2       ARG 139  16.843   1.930   6.395
 1081   2HB   ARG 139          HB3       ARG 139  16.244   3.506   5.878
 1082   1HG   ARG 139          HG2       ARG 139  15.549   1.972   4.232
 1083   2HG   ARG 139          HG3       ARG 139  16.843   2.891   3.494
 1084   1HD   ARG 139          HD2       ARG 139  17.149   0.587   2.884
 1085   2HD   ARG 139          HD3       ARG 139  18.434   0.979   4.013
 1086    HE   ARG 139           HE       ARG 139  15.907  -0.525   4.620
 1087   1HH1  ARG 139          HH21      ARG 139  19.360  -0.083   5.383
 1088   2HH1  ARG 139          HH22      ARG 139  19.337  -1.223   6.673
 1089   1HH2  ARG 139          HH11      ARG 139  15.886  -1.997   6.285
 1090   2HH2  ARG 139          HH12      ARG 139  17.317  -2.369   7.177
 1091    H    VAL 140           H        VAL 140  17.598   5.746   6.140
 1092    HA   VAL 140           HA       VAL 140  17.827   6.840   3.561
 1093    HB   VAL 140           HB       VAL 140  17.768   7.870   6.399
 1094   1HG1  VAL 140          HG11      VAL 140  17.667  10.231   5.449
 1095   2HG1  VAL 140          HG12      VAL 140  19.256   9.484   5.514
 1096   3HG1  VAL 140          HG13      VAL 140  18.398   9.566   3.968
 1097   1HG2  VAL 140          HG21      VAL 140  15.733   7.026   5.192
 1098   2HG2  VAL 140          HG22      VAL 140  15.589   8.703   5.659
 1099   3HG2  VAL 140          HG23      VAL 140  15.962   8.302   3.974
 1100    H    ASN 141           H        ASN 141  20.348   6.500   6.127
 1101    HA   ASN 141           HA       ASN 141  22.240   8.111   4.628
 1102   1HB   ASN 141          HB2       ASN 141  22.504   6.235   7.008
 1103   2HB   ASN 141          HB3       ASN 141  23.926   6.839   6.169
 1104   1HD2  ASN 141          HD22      ASN 141  21.070   7.881   8.065
 1105   2HD2  ASN 141          HD21      ASN 141  21.714   9.461   8.455
 1106    H    ARG 142           H        ARG 142  21.517   4.587   4.797
 1107    HA   ARG 142           HA       ARG 142  23.582   3.834   2.964
 1108   1HB   ARG 142          HB2       ARG 142  22.478   2.137   4.263
 1109   2HB   ARG 142          HB3       ARG 142  20.889   2.611   3.676
 1110   1HG   ARG 142          HG2       ARG 142  21.598   0.542   2.647
 1111   2HG   ARG 142          HG3       ARG 142  21.381   1.809   1.444
 1112   1HD   ARG 142          HD2       ARG 142  23.869   2.163   1.393
 1113   2HD   ARG 142          HD3       ARG 142  24.063   0.864   2.575
 1114    HE   ARG 142           HE       ARG 142  23.514   0.681  -0.297
 1115   1HH1  ARG 142          HH21      ARG 142  23.463  -1.200   2.734
 1116   2HH1  ARG 142          HH22      ARG 142  23.505  -2.718   1.915
 1117   1HH2  ARG 142          HH11      ARG 142  23.553  -1.189  -1.319
 1118   2HH2  ARG 142          HH12      ARG 142  23.568  -2.738  -0.499
 1119    H    VAL 143           H        VAL 143  20.174   4.970   2.365
 1120    HA   VAL 143           HA       VAL 143  20.448   4.608  -0.445
 1121    HB   VAL 143           HB       VAL 143  18.500   6.226   1.202
 1122   1HG1  VAL 143          HG11      VAL 143  18.597   7.342  -0.972
 1123   2HG1  VAL 143          HG12      VAL 143  18.524   5.786  -1.821
 1124   3HG1  VAL 143          HG13      VAL 143  17.124   6.376  -0.898
 1125   1HG2  VAL 143          HG21      VAL 143  16.975   4.368   0.448
 1126   2HG2  VAL 143          HG22      VAL 143  18.346   3.610  -0.386
 1127   3HG2  VAL 143          HG23      VAL 143  18.346   3.755   1.375
 1128    H    LEU 144           H        LEU 144  21.336   7.418   1.638
 1129    HA   LEU 144           HA       LEU 144  22.092   9.103  -0.554
 1130   1HB   LEU 144          HB2       LEU 144  23.430   8.853   2.165
 1131   2HB   LEU 144          HB3       LEU 144  23.741  10.123   0.985
 1132    HG   LEU 144           HG       LEU 144  21.042   9.613   2.256
 1133   1HD1  LEU 144          HD11      LEU 144  21.494  11.571   3.671
 1134   2HD1  LEU 144          HD12      LEU 144  22.714  10.316   3.937
 1135   3HD1  LEU 144          HD13      LEU 144  23.113  11.733   2.947
 1136   1HD2  LEU 144          HD21      LEU 144  20.806  10.770   0.126
 1137   2HD2  LEU 144          HD22      LEU 144  20.492  11.896   1.444
 1138   3HD2  LEU 144          HD23      LEU 144  22.050  11.949   0.588
 1139    H    ALA 145           H        ALA 145  23.913   6.580   1.237
 1140    HA   ALA 145           HA       ALA 145  26.238   6.681  -0.421
 1141   1HB   ALA 145          HB1       ALA 145  26.179   5.756   1.889
 1142   2HB   ALA 145          HB2       ALA 145  25.234   4.374   1.289
 1143   3HB   ALA 145          HB3       ALA 145  26.886   4.636   0.712
 1144    H    GLU 146           H        GLU 146  23.170   5.764  -1.453
 1145    HA   GLU 146           HA       GLU 146  24.210   3.832  -3.472
 1146   1HB   GLU 146          HB2       GLU 146  21.446   4.343  -2.303
 1147   2HB   GLU 146          HB3       GLU 146  21.709   3.382  -3.717
 1148   1HG   GLU 146          HG2       GLU 146  23.170   2.620  -1.198
 1149   2HG   GLU 146          HG3       GLU 146  21.440   2.299  -1.323
 1150    H    THR 147           H        THR 147  23.391   7.094  -2.911
 1151    HA   THR 147           HA       THR 147  22.636   7.572  -5.716
 1152    HB   THR 147           HB       THR 147  21.016   8.846  -3.500
 1153    HG1  THR 147           HG1      THR 147  20.701   6.756  -3.009
 1154   1HG2  THR 147          HG21      THR 147  19.339   8.828  -5.329
 1155   2HG2  THR 147          HG22      THR 147  20.871   9.587  -5.842
 1156   3HG2  THR 147          HG23      THR 147  20.490   7.927  -6.350
 1157    H    GLU 148           H        GLU 148  25.092   8.063  -4.760
 1158    HA   GLU 148           HA       GLU 148  25.348  10.956  -4.947
 1159   1HB   GLU 148          HB2       GLU 148  25.230  10.560  -2.491
 1160   2HB   GLU 148          HB3       GLU 148  26.543   9.376  -2.613
 1161   1HG   GLU 148          HG2       GLU 148  28.050  11.136  -3.462
 1162   2HG   GLU 148          HG3       GLU 148  26.730  12.309  -3.403
  Start of MODEL    4
    1   1H    MET   1           H1       MET   1   1.596  -0.589  -1.718
    2   2H    MET   1           H2       MET   1   1.879  -2.080  -2.334
    3   3H    MET   1           H3       MET   1   2.687  -1.592  -1.006
    4    HA   MET   1           HA       MET   1   2.965  -0.437  -3.706
    5   1HB   MET   1          HB2       MET   1   4.456   0.264  -1.123
    6   2HB   MET   1          HB3       MET   1   4.970   0.734  -2.740
    7   1HG   MET   1          HG2       MET   1   2.638   1.782  -3.006
    8   2HG   MET   1          HG3       MET   1   2.594   1.742  -1.233
    9   1HE   MET   1          HE1       MET   1   2.611   4.313  -3.415
   10   2HE   MET   1          HE2       MET   1   4.207   5.063  -3.614
   11   3HE   MET   1          HE3       MET   1   3.877   3.503  -4.403
   12    H    LYS   2           H        LYS   2   5.106  -0.770  -4.642
   13    HA   LYS   2           HA       LYS   2   6.674  -3.033  -3.590
   14   1HB   LYS   2          HB2       LYS   2   6.996  -4.036  -5.695
   15   2HB   LYS   2          HB3       LYS   2   5.278  -4.003  -5.311
   16   1HG   LYS   2          HG2       LYS   2   4.978  -2.063  -6.864
   17   2HG   LYS   2          HG3       LYS   2   6.718  -2.135  -7.256
   18   1HD   LYS   2          HD2       LYS   2   6.453  -4.468  -7.998
   19   2HD   LYS   2          HD3       LYS   2   4.719  -4.396  -7.620
   20   1HE   LYS   2          HE2       LYS   2   4.439  -2.552  -9.277
   21   2HE   LYS   2          HE3       LYS   2   6.167  -2.624  -9.653
   22   1HZ   LYS   2          HZ1       LYS   2   4.229  -4.818 -10.122
   23   2HZ   LYS   2          HZ2       LYS   2   4.858  -3.846 -11.268
   24   3HZ   LYS   2          HZ3       LYS   2   5.826  -4.885 -10.470
   25    H    LEU   3           H        LEU   3   8.884  -2.946  -4.660
   26    HA   LEU   3           HA       LEU   3   9.867  -0.222  -4.309
   27   1HB   LEU   3          HB2       LEU   3  11.383  -2.772  -4.986
   28   2HB   LEU   3          HB3       LEU   3  12.090  -1.228  -4.508
   29    HG   LEU   3           HG       LEU   3  10.395  -3.079  -2.791
   30   1HD1  LEU   3          HD11      LEU   3  13.248  -2.062  -2.499
   31   2HD1  LEU   3          HD12      LEU   3  12.405  -3.169  -1.392
   32   3HD1  LEU   3          HD13      LEU   3  12.764  -3.681  -3.049
   33   1HD2  LEU   3          HD21      LEU   3  10.748  -1.416  -0.944
   34   2HD2  LEU   3          HD22      LEU   3  11.332  -0.251  -2.161
   35   3HD2  LEU   3          HD23      LEU   3   9.657  -0.851  -2.209
   36    H    ARG   4           H        ARG   4  11.432   0.705  -5.660
   37    HA   ARG   4           HA       ARG   4  11.882   1.932  -7.426
   38   1HB   ARG   4          HB2       ARG   4  11.533  -0.578  -9.099
   39   2HB   ARG   4          HB3       ARG   4  12.469   0.869  -9.505
   40   1HG   ARG   4          HG2       ARG   4  13.892   0.436  -7.446
   41   2HG   ARG   4          HG3       ARG   4  13.042  -1.106  -7.252
   42   1HD   ARG   4          HD2       ARG   4  13.771  -1.777  -9.539
   43   2HD   ARG   4          HD3       ARG   4  14.653  -0.260  -9.710
   44    HE   ARG   4           HE       ARG   4  15.363  -2.619  -8.121
   45   1HH1  ARG   4          HH21      ARG   4  16.116   0.821  -8.697
   46   2HH1  ARG   4          HH22      ARG   4  17.744   0.683  -8.127
   47   1HH2  ARG   4          HH11      ARG   4  17.505  -2.766  -7.330
   48   2HH2  ARG   4          HH12      ARG   4  18.532  -1.385  -7.302
   49    H    GLN   5           H        GLN   5   8.922   1.537  -6.666
   50    HA   GLN   5           HA       GLN   5   7.535   2.290  -9.153
   51   1HB   GLN   5          HB2       GLN   5   6.824   2.514  -6.185
   52   2HB   GLN   5          HB3       GLN   5   5.797   3.133  -7.466
   53   1HG   GLN   5          HG2       GLN   5   5.652   0.843  -8.471
   54   2HG   GLN   5          HG3       GLN   5   6.612   0.222  -7.112
   55   1HE2  GLN   5          HE22      GLN   5   5.766   1.318  -4.929
   56   2HE2  GLN   5          HE21      GLN   5   4.029   1.586  -4.774
   57    HA   PRO   6           HA       PRO   6   8.955   6.545  -8.544
   58   1HB   PRO   6          HB2       PRO   6   7.298   7.941 -10.145
   59   2HB   PRO   6          HB3       PRO   6   8.603   6.872 -10.761
   60   1HG   PRO   6          HG2       PRO   6   5.641   6.238 -10.509
   61   2HG   PRO   6          HG3       PRO   6   6.716   5.945 -11.912
   62   1HD   PRO   6          HD2       PRO   6   6.116   4.026  -9.997
   63   2HD   PRO   6          HD3       PRO   6   7.663   4.051 -10.902
   64    H    MET   7           H        MET   7   8.380   8.039  -6.972
   65    HA   MET   7           HA       MET   7   6.249   7.816  -5.259
   66   1HB   MET   7          HB2       MET   7   6.559  10.164  -4.627
   67   2HB   MET   7          HB3       MET   7   8.012   9.168  -4.644
   68   1HG   MET   7          HG2       MET   7   8.719  10.174  -6.768
   69   2HG   MET   7          HG3       MET   7   7.226  11.109  -6.848
   70   1HE   MET   7          HE1       MET   7  10.452  11.794  -3.615
   71   2HE   MET   7          HE2       MET   7   9.065  10.728  -3.284
   72   3HE   MET   7          HE3       MET   7  10.237  10.296  -4.543
   73    HA   PRO   8           HA       PRO   8   2.944   8.867  -8.023
   74   1HB   PRO   8          HB2       PRO   8   0.808   8.075  -6.551
   75   2HB   PRO   8          HB3       PRO   8   2.127   6.959  -6.987
   76   1HG   PRO   8          HG2       PRO   8   1.799   8.495  -4.394
   77   2HG   PRO   8          HG3       PRO   8   2.110   6.731  -4.610
   78   1HD   PRO   8          HD2       PRO   8   4.131   8.525  -4.150
   79   2HD   PRO   8          HD3       PRO   8   4.313   7.036  -5.127
   80    H    GLU   9           H        GLU   9   0.422   9.677  -6.513
   81    HA   GLU   9           HA       GLU   9   0.375  12.380  -7.401
   82   1HB   GLU   9          HB2       GLU   9  -1.585  10.488  -6.040
   83   2HB   GLU   9          HB3       GLU   9  -2.055  12.038  -6.795
   84   1HG   GLU   9          HG2       GLU   9  -0.857   9.618  -8.186
   85   2HG   GLU   9          HG3       GLU   9  -2.554  10.080  -8.182
   86    H    LEU  10           H        LEU  10   2.158  12.755  -5.512
   87    HA   LEU  10           HA       LEU  10   1.263  13.341  -2.852
   88   1HB   LEU  10          HB2       LEU  10   3.540  14.384  -4.571
   89   2HB   LEU  10          HB3       LEU  10   3.223  14.991  -2.951
   90    HG   LEU  10           HG       LEU  10   3.547  12.763  -1.978
   91   1HD1  LEU  10          HD11      LEU  10   2.978  11.251  -3.867
   92   2HD1  LEU  10          HD12      LEU  10   4.387  11.855  -4.767
   93   3HD1  LEU  10          HD13      LEU  10   4.600  10.938  -3.263
   94   1HD2  LEU  10          HD21      LEU  10   5.412  14.375  -2.186
   95   2HD2  LEU  10          HD22      LEU  10   5.994  12.712  -2.295
   96   3HD2  LEU  10          HD23      LEU  10   5.839  13.687  -3.769
   97    H    THR  11           H        THR  11  -0.812  14.365  -2.886
   98    HA   THR  11           HA       THR  11  -0.818  17.205  -3.315
   99    HB   THR  11           HB       THR  11  -1.002  16.111  -5.677
  100    HG1  THR  11           HG1      THR  11  -2.266  17.775  -6.278
  101   1HG2  THR  11          HG21      THR  11  -3.168  15.423  -6.448
  102   2HG2  THR  11          HG22      THR  11  -2.698  14.371  -5.110
  103   3HG2  THR  11          HG23      THR  11  -3.894  15.654  -4.843
  104    H    GLY  12           H        GLY  12  -2.802  18.132  -2.455
  105   1HA   GLY  12          HA2       GLY  12  -5.052  16.755  -1.507
  106   2HA   GLY  12          HA3       GLY  12  -3.843  16.761  -0.214
  107    H    GLU  13           H        GLU  13  -6.196  18.064   0.265
  108    HA   GLU  13           HA       GLU  13  -5.518  20.970   0.039
  109   1HB   GLU  13          HB2       GLU  13  -8.141  19.499  -0.459
  110   2HB   GLU  13          HB3       GLU  13  -7.988  21.256  -0.359
  111   1HG   GLU  13          HG2       GLU  13  -6.370  21.205  -2.271
  112   2HG   GLU  13          HG3       GLU  13  -6.666  19.472  -2.442
  113    H    LYS  14           H        LYS  14  -6.473  18.492   2.355
  114    HA   LYS  14           HA       LYS  14  -8.254  20.175   3.871
  115   1HB   LYS  14          HB2       LYS  14  -8.348  17.763   4.074
  116   2HB   LYS  14          HB3       LYS  14  -6.738  17.724   4.812
  117   1HG   LYS  14          HG2       LYS  14  -7.473  18.873   6.763
  118   2HG   LYS  14          HG3       LYS  14  -9.073  19.195   6.052
  119   1HD   LYS  14          HD2       LYS  14  -9.669  16.869   6.093
  120   2HD   LYS  14          HD3       LYS  14  -8.010  16.368   6.481
  121   1HE   LYS  14          HE2       LYS  14  -8.113  17.430   8.657
  122   2HE   LYS  14          HE3       LYS  14  -9.699  18.138   8.302
  123   1HZ   LYS  14          HZ1       LYS  14  -9.182  15.226   8.513
  124   2HZ   LYS  14          HZ2       LYS  14  -9.812  16.148   9.708
  125   3HZ   LYS  14          HZ3       LYS  14 -10.646  15.938   8.312
  126    H    ALA  15           H        ALA  15  -4.721  19.420   4.348
  127    HA   ALA  15           HA       ALA  15  -4.360  22.208   5.036
  128   1HB   ALA  15          HB1       ALA  15  -3.546  20.159   7.164
  129   2HB   ALA  15          HB2       ALA  15  -3.217  21.886   7.188
  130   3HB   ALA  15          HB3       ALA  15  -4.882  21.323   7.295
  131    H    TRP  16           H        TRP  16  -2.134  22.778   5.008
  132    HA   TRP  16           HA       TRP  16  -0.200  20.875   3.846
  133   1HB   TRP  16          HB2       TRP  16   0.292  22.854   2.181
  134   2HB   TRP  16          HB3       TRP  16  -0.851  21.563   1.873
  135    HD1  TRP  16           HD1      TRP  16  -2.313  22.618   0.201
  136    HE1  TRP  16           HE1      TRP  16  -4.023  24.487   0.158
  137    HE3  TRP  16           HE3      TRP  16  -1.268  24.779   4.753
  138    HZ2  TRP  16           HZ2      TRP  16  -4.902  26.637   1.902
  139    HZ3  TRP  16           HZ3      TRP  16  -2.582  26.717   5.531
  140    HH2  TRP  16           HH2      TRP  16  -4.400  27.660   4.121
  141    H    LEU  17           H        LEU  17   0.102  21.244   6.196
  142    HA   LEU  17           HA       LEU  17   0.831  23.737   7.358
  143   1HB   LEU  17          HB2       LEU  17   1.525  20.901   8.231
  144   2HB   LEU  17          HB3       LEU  17   1.594  22.340   9.238
  145    HG   LEU  17           HG       LEU  17  -0.922  21.083   8.039
  146   1HD1  LEU  17          HD11      LEU  17   0.021  19.765   9.813
  147   2HD1  LEU  17          HD12      LEU  17   0.166  21.180  10.866
  148   3HD1  LEU  17          HD13      LEU  17  -1.444  20.569  10.409
  149   1HD2  LEU  17          HD21      LEU  17  -2.160  22.699   9.514
  150   2HD2  LEU  17          HD22      LEU  17  -0.631  23.563   9.786
  151   3HD2  LEU  17          HD23      LEU  17  -1.326  23.466   8.160
  152    H    ASN  18           H        ASN  18   2.677  24.773   7.350
  153    HA   ASN  18           HA       ASN  18   4.836  25.386   7.243
  154   1HB   ASN  18          HB2       ASN  18   5.665  22.565   6.631
  155   2HB   ASN  18          HB3       ASN  18   6.708  23.920   6.992
  156   1HD2  ASN  18          HD22      ASN  18   6.496  21.373   8.340
  157   2HD2  ASN  18          HD21      ASN  18   6.322  21.800  10.046
  158    H    GLY  19           H        GLY  19   3.495  23.245   4.767
  159   1HA   GLY  19          HA2       GLY  19   3.427  24.983   2.680
  160   2HA   GLY  19          HA3       GLY  19   5.058  24.300   2.549
  161    H    GLU  20           H        GLU  20   3.732  23.718   0.440
  162    HA   GLU  20           HA       GLU  20   3.219  20.842   0.649
  163   1HB   GLU  20          HB2       GLU  20   1.163  22.756   0.024
  164   2HB   GLU  20          HB3       GLU  20   1.632  22.042  -1.509
  165   1HG   GLU  20          HG2       GLU  20   0.923  20.445   0.973
  166   2HG   GLU  20          HG3       GLU  20  -0.238  20.888  -0.288
  167    H    VAL  21           H        VAL  21   3.872  19.767  -1.376
  168    HA   VAL  21           HA       VAL  21   5.258  21.326  -3.398
  169    HB   VAL  21           HB       VAL  21   6.856  21.408  -1.541
  170   1HG1  VAL  21          HG11      VAL  21   6.975  18.375  -1.675
  171   2HG1  VAL  21          HG12      VAL  21   8.048  19.424  -0.730
  172   3HG1  VAL  21          HG13      VAL  21   6.326  19.333  -0.333
  173   1HG2  VAL  21          HG21      VAL  21   7.712  21.450  -3.798
  174   2HG2  VAL  21          HG22      VAL  21   8.847  20.670  -2.687
  175   3HG2  VAL  21          HG23      VAL  21   7.878  19.677  -3.789
  176    H    THR  22           H        THR  22   5.809  20.053  -5.208
  177    HA   THR  22           HA       THR  22   4.376  17.454  -5.397
  178    HB   THR  22           HB       THR  22   4.877  17.921  -7.890
  179    HG1  THR  22           HG1      THR  22   5.237  20.036  -8.406
  180   1HG2  THR  22          HG21      THR  22   3.004  19.718  -6.316
  181   2HG2  THR  22          HG22      THR  22   2.885  19.320  -8.055
  182   3HG2  THR  22          HG23      THR  22   2.674  18.046  -6.836
  183    H    ARG  23           H        ARG  23   5.316  15.702  -6.529
  184    HA   ARG  23           HA       ARG  23   7.911  14.937  -5.904
  185   1HB   ARG  23          HB2       ARG  23   7.711  13.320  -7.730
  186   2HB   ARG  23          HB3       ARG  23   6.284  13.361  -6.694
  187   1HG   ARG  23          HG2       ARG  23   5.094  14.702  -8.468
  188   2HG   ARG  23          HG3       ARG  23   6.525  14.519  -9.506
  189   1HD   ARG  23          HD2       ARG  23   6.289  12.052  -9.373
  190   2HD   ARG  23          HD3       ARG  23   4.857  12.243  -8.365
  191    HE   ARG  23           HE       ARG  23   5.148  13.110 -11.219
  192   1HH1  ARG  23          HH21      ARG  23   2.980  12.032  -8.590
  193   2HH1  ARG  23          HH22      ARG  23   1.579  11.945  -9.632
  194   1HH2  ARG  23          HH11      ARG  23   3.266  13.000 -12.540
  195   2HH2  ARG  23          HH12      ARG  23   1.758  12.510 -11.858
  196    H    GLU  24           H        GLU  24   6.776  16.853  -8.761
  197    HA   GLU  24           HA       GLU  24   9.413  16.576  -9.934
  198   1HB   GLU  24          HB2       GLU  24   8.589  18.078 -11.692
  199   2HB   GLU  24          HB3       GLU  24   7.386  16.848 -11.309
  200   1HG   GLU  24          HG2       GLU  24   6.122  18.490  -9.943
  201   2HG   GLU  24          HG3       GLU  24   7.331  19.727 -10.289
  202    H    GLN  25           H        GLN  25   8.339  18.678  -7.453
  203    HA   GLN  25           HA       GLN  25  10.562  20.613  -7.912
  204   1HB   GLN  25          HB2       GLN  25   8.279  20.463  -5.916
  205   2HB   GLN  25          HB3       GLN  25   9.584  21.655  -5.822
  206   1HG   GLN  25          HG2       GLN  25   8.942  22.538  -8.043
  207   2HG   GLN  25          HG3       GLN  25   7.645  21.345  -8.158
  208   1HE2  GLN  25          HE22      GLN  25   5.748  21.586  -6.828
  209   2HE2  GLN  25          HE21      GLN  25   5.411  23.086  -5.977
  210    H    LEU  26           H        LEU  26   9.480  17.918  -5.858
  211    HA   LEU  26           HA       LEU  26  11.510  18.058  -3.835
  212   1HB   LEU  26          HB2       LEU  26   9.550  16.002  -4.900
  213   2HB   LEU  26          HB3       LEU  26  10.788  15.483  -3.761
  214    HG   LEU  26           HG       LEU  26   8.832  17.736  -3.201
  215   1HD1  LEU  26          HD11      LEU  26   8.644  14.775  -2.498
  216   2HD1  LEU  26          HD12      LEU  26   7.576  16.045  -1.865
  217   3HD1  LEU  26          HD13      LEU  26   7.586  15.672  -3.595
  218   1HD2  LEU  26          HD21      LEU  26  10.537  16.048  -1.325
  219   2HD2  LEU  26          HD22      LEU  26  10.897  17.727  -1.797
  220   3HD2  LEU  26          HD23      LEU  26   9.445  17.375  -0.871
  221    H    ILE  27           H        ILE  27  11.192  15.984  -6.763
  222    HA   ILE  27           HA       ILE  27  13.928  14.991  -6.284
  223    HB   ILE  27           HB       ILE  27  13.190  13.443  -8.240
  224   1HG1  ILE  27          HG12      ILE  27  10.408  13.913  -7.179
  225   2HG1  ILE  27          HG13      ILE  27  11.029  14.701  -8.662
  226   1HG2  ILE  27          HG21      ILE  27  13.710  12.715  -5.974
  227   2HG2  ILE  27          HG22      ILE  27  12.134  13.292  -5.377
  228   3HG2  ILE  27          HG23      ILE  27  12.217  11.906  -6.465
  229   1HD1  ILE  27          HD11      ILE  27  11.481  12.458  -9.631
  230   2HD1  ILE  27          HD12      ILE  27  10.703  11.733  -8.201
  231   3HD1  ILE  27          HD13      ILE  27   9.769  12.766  -9.285
  232    H    GLY  28           H        GLY  28  15.181  14.391  -8.238
  233   1HA   GLY  28          HA2       GLY  28  15.731  14.988 -10.533
  234   2HA   GLY  28          HA3       GLY  28  15.384  16.679 -10.141
  235    H    GLU  29           H        GLU  29  16.786  15.680  -7.347
  236    HA   GLU  29           HA       GLU  29  19.569  16.239  -8.287
  237   1HB   GLU  29          HB2       GLU  29  18.160  18.315  -7.857
  238   2HB   GLU  29          HB3       GLU  29  17.960  17.776  -6.198
  239   1HG   GLU  29          HG2       GLU  29  19.681  19.452  -6.236
  240   2HG   GLU  29          HG3       GLU  29  20.462  17.919  -5.887
  241    H    LYS  30           H        LYS  30  17.523  15.466  -5.367
  242    HA   LYS  30           HA       LYS  30  19.717  13.781  -4.376
  243   1HB   LYS  30          HB2       LYS  30  19.868  14.872  -2.248
  244   2HB   LYS  30          HB3       LYS  30  20.106  16.089  -3.492
  245   1HG   LYS  30          HG2       LYS  30  17.602  16.652  -3.215
  246   2HG   LYS  30          HG3       LYS  30  17.655  15.630  -1.760
  247   1HD   LYS  30          HD2       LYS  30  19.455  17.137  -0.841
  248   2HD   LYS  30          HD3       LYS  30  19.276  18.153  -2.288
  249   1HE   LYS  30          HE2       LYS  30  16.799  18.343  -1.727
  250   2HE   LYS  30          HE3       LYS  30  17.143  17.537  -0.186
  251   1HZ   LYS  30          HZ1       LYS  30  18.404  19.382   0.522
  252   2HZ   LYS  30          HZ2       LYS  30  18.468  20.062  -0.986
  253   3HZ   LYS  30          HZ3       LYS  30  17.074  20.019  -0.145
  254    HA   PRO  31           HA       PRO  31  16.475  10.997  -3.202
  255   1HB   PRO  31          HB2       PRO  31  17.762  11.092  -0.456
  256   2HB   PRO  31          HB3       PRO  31  17.123   9.666  -1.339
  257   1HG   PRO  31          HG2       PRO  31  19.764  10.154  -1.402
  258   2HG   PRO  31          HG3       PRO  31  18.907   9.755  -2.921
  259   1HD   PRO  31          HD2       PRO  31  19.770  12.468  -1.913
  260   2HD   PRO  31          HD3       PRO  31  19.858  11.793  -3.562
  261    H    THR  32           H        THR  32  14.643  10.622  -1.773
  262    HA   THR  32           HA       THR  32  13.744  12.984  -0.207
  263    HB   THR  32           HB       THR  32  12.213  11.624  -2.443
  264    HG1  THR  32           HG1      THR  32  13.691  13.108  -3.202
  265   1HG2  THR  32          HG21      THR  32  10.525  12.240  -0.856
  266   2HG2  THR  32          HG22      THR  32  11.320  13.785  -0.486
  267   3HG2  THR  32          HG23      THR  32  10.552  13.524  -2.065
  268    H    LEU  33           H        LEU  33  12.136  12.525   1.353
  269    HA   LEU  33           HA       LEU  33  11.607   9.668   2.030
  270   1HB   LEU  33          HB2       LEU  33  13.367  11.051   3.403
  271   2HB   LEU  33          HB3       LEU  33  12.016  12.001   3.942
  272    HG   LEU  33           HG       LEU  33  12.550  10.485   5.629
  273   1HD1  LEU  33          HD11      LEU  33  10.179   9.076   4.510
  274   2HD1  LEU  33          HD12      LEU  33  10.657   9.303   6.177
  275   3HD1  LEU  33          HD13      LEU  33  10.135  10.724   5.256
  276   1HD2  LEU  33          HD21      LEU  33  13.897   8.926   4.349
  277   2HD2  LEU  33          HD22      LEU  33  12.725   8.056   5.347
  278   3HD2  LEU  33          HD23      LEU  33  12.436   8.243   3.610
  279    H    ILE  34           H        ILE  34   9.409   9.285   2.455
  280    HA   ILE  34           HA       ILE  34   7.665  11.621   3.083
  281    HB   ILE  34           HB       ILE  34   6.758   9.100   1.674
  282   1HG1  ILE  34          HG12      ILE  34   7.206  11.842   0.388
  283   2HG1  ILE  34          HG13      ILE  34   8.249  10.447   0.151
  284   1HG2  ILE  34          HG21      ILE  34   5.069  10.316   3.073
  285   2HG2  ILE  34          HG22      ILE  34   5.375  11.789   2.134
  286   3HG2  ILE  34          HG23      ILE  34   4.655  10.359   1.368
  287   1HD1  ILE  34          HD11      ILE  34   5.377  10.741  -0.757
  288   2HD1  ILE  34          HD12      ILE  34   6.841  10.489  -1.728
  289   3HD1  ILE  34          HD13      ILE  34   6.225   9.178  -0.703
  290    H    HIS  35           H        HIS  35   7.090  11.474   5.229
  291    HA   HIS  35           HA       HIS  35   6.959   8.788   6.524
  292   1HB   HIS  35          HB2       HIS  35   6.438  11.437   7.889
  293   2HB   HIS  35          HB3       HIS  35   6.752   9.883   8.629
  294    HD1  HIS  35           HD1      HIS  35   9.383   9.277   9.003
  295    HD2  HIS  35           HD2      HIS  35   8.473  12.860   6.994
  296    HE1  HIS  35           HE1      HIS  35  11.560  10.565   8.827
  297    H    PHE  36           H        PHE  36   5.049   8.230   7.730
  298    HA   PHE  36           HA       PHE  36   2.487   9.592   7.083
  299   1HB   PHE  36          HB2       PHE  36   3.093   6.613   7.009
  300   2HB   PHE  36          HB3       PHE  36   1.489   7.331   6.902
  301    HD1  PHE  36           HD1      PHE  36   4.742   6.909   5.148
  302    HD2  PHE  36           HD2      PHE  36   0.716   8.429   4.868
  303    HE1  PHE  36           HE1      PHE  36   5.053   7.300   2.712
  304    HE2  PHE  36           HE2      PHE  36   1.022   8.790   2.439
  305    HZ   PHE  36           HZ       PHE  36   3.205   8.239   1.363
  306    H    TRP  37           H        TRP  37   1.581  10.131   9.115
  307    HA   TRP  37           HA       TRP  37   2.089   8.383  11.453
  308   1HB   TRP  37          HB2       TRP  37   3.130  10.218  12.723
  309   2HB   TRP  37          HB3       TRP  37   4.115   9.727  11.361
  310    HD1  TRP  37           HD1      TRP  37   3.713  11.344   9.097
  311    HE1  TRP  37           HE1      TRP  37   3.431  13.904   8.936
  312    HE3  TRP  37           HE3      TRP  37   2.914  12.374  14.031
  313    HZ2  TRP  37           HZ2      TRP  37   2.946  16.115  10.756
  314    HZ3  TRP  37           HZ3      TRP  37   2.774  14.718  14.810
  315    HH2  TRP  37           HH2      TRP  37   2.687  16.588  13.182
  316    H    SER  38           H        SER  38   1.007   9.290  13.442
  317    HA   SER  38           HA       SER  38  -1.409  10.915  12.903
  318   1HB   SER  38          HB2       SER  38  -1.305   8.102  14.053
  319   2HB   SER  38          HB3       SER  38  -2.733   9.164  14.080
  320    HG   SER  38           HG       SER  38  -2.757   9.144  11.822
  321    H    ILE  39           H        ILE  39  -1.465  12.457  14.584
  322    HA   ILE  39           HA       ILE  39   0.405  12.371  16.704
  323    HB   ILE  39           HB       ILE  39  -0.786  14.230  17.727
  324   1HG1  ILE  39          HG12      ILE  39  -2.870  14.022  15.532
  325   2HG1  ILE  39          HG13      ILE  39  -3.148  13.585  17.228
  326   1HG2  ILE  39          HG21      ILE  39   0.758  14.440  15.675
  327   2HG2  ILE  39          HG22      ILE  39  -0.738  14.809  14.770
  328   3HG2  ILE  39          HG23      ILE  39  -0.252  15.827  16.093
  329   1HD1  ILE  39          HD11      ILE  39  -2.643  15.909  17.908
  330   2HD1  ILE  39          HD12      ILE  39  -2.430  16.362  16.197
  331   3HD1  ILE  39          HD13      ILE  39  -3.997  15.816  16.765
  332    H    SER  40           H        SER  40  -2.572  10.656  16.489
  333    HA   SER  40           HA       SER  40  -3.220  10.420  19.252
  334   1HB   SER  40          HB2       SER  40  -4.444   8.349  18.283
  335   2HB   SER  40          HB3       SER  40  -4.893   9.948  17.672
  336    HG   SER  40           HG       SER  40  -4.437   9.276  15.807
  337    H    CYS  41           H        CYS  41  -0.600   8.989  17.388
  338    HA   CYS  41           HA       CYS  41  -0.523   6.580  19.137
  339   1HB   CYS  41          HB2       CYS  41   0.745   7.229  16.452
  340   2HB   CYS  41          HB3       CYS  41   0.873   5.671  17.297
  341    HG   CYS  41           HG       CYS  41  -1.927   7.233  16.399
  342    H    HIS  42           H        HIS  42   1.074   6.420  20.676
  343    HA   HIS  42           HA       HIS  42   2.719   8.619  21.165
  344   1HB   HIS  42          HB2       HIS  42   3.568   7.493  23.022
  345   2HB   HIS  42          HB3       HIS  42   1.930   6.891  22.845
  346    HD1  HIS  42           HD1      HIS  42   5.384   5.680  23.334
  347    HD2  HIS  42           HD2      HIS  42   1.854   4.282  21.512
  348    HE1  HIS  42           HE1      HIS  42   5.643   3.160  23.098
  349    H    LEU  43           H        LEU  43   3.515   5.666  19.382
  350    HA   LEU  43           HA       LEU  43   6.344   6.188  19.233
  351   1HB   LEU  43          HB2       LEU  43   4.564   4.643  17.296
  352   2HB   LEU  43          HB3       LEU  43   6.325   4.671  17.253
  353    HG   LEU  43           HG       LEU  43   4.621   3.561  19.509
  354   1HD1  LEU  43          HD11      LEU  43   6.385   2.152  17.475
  355   2HD1  LEU  43          HD12      LEU  43   5.473   1.382  18.794
  356   3HD1  LEU  43          HD13      LEU  43   4.607   2.183  17.476
  357   1HD2  LEU  43          HD21      LEU  43   6.774   2.662  20.417
  358   2HD2  LEU  43          HD22      LEU  43   7.654   3.659  19.236
  359   3HD2  LEU  43          HD23      LEU  43   6.662   4.418  20.503
  360    H    CYS  44           H        CYS  44   3.579   7.508  17.432
  361    HA   CYS  44           HA       CYS  44   5.205   8.784  15.383
  362   1HB   CYS  44          HB2       CYS  44   2.457   9.543  16.446
  363   2HB   CYS  44          HB3       CYS  44   3.278  10.267  15.068
  364    HG   CYS  44           HG       CYS  44   2.664   7.032  15.447
  365    H    LYS  45           H        LYS  45   4.005   9.755  18.664
  366    HA   LYS  45           HA       LYS  45   5.198  12.348  18.503
  367   1HB   LYS  45          HB2       LYS  45   4.873  10.771  21.070
  368   2HB   LYS  45          HB3       LYS  45   4.954  12.525  20.831
  369   1HG   LYS  45          HG2       LYS  45   2.617  10.716  20.110
  370   2HG   LYS  45          HG3       LYS  45   2.699  11.933  21.375
  371   1HD   LYS  45          HD2       LYS  45   3.310  13.475  19.163
  372   2HD   LYS  45          HD3       LYS  45   2.327  12.219  18.418
  373   1HE   LYS  45          HE2       LYS  45   0.810  13.976  19.037
  374   2HE   LYS  45          HE3       LYS  45   0.560  12.710  20.232
  375   1HZ   LYS  45          HZ1       LYS  45   0.718  14.900  21.249
  376   2HZ   LYS  45          HZ2       LYS  45   1.944  13.972  21.776
  377   3HZ   LYS  45          HZ3       LYS  45   2.221  15.136  20.659
  378    H    GLU  46           H        GLU  46   6.748   9.272  19.082
  379    HA   GLU  46           HA       GLU  46   9.185  10.573  20.160
  380   1HB   GLU  46          HB2       GLU  46   8.469   7.699  19.444
  381   2HB   GLU  46          HB3       GLU  46  10.002   8.192  20.168
  382   1HG   GLU  46          HG2       GLU  46   7.293   8.747  21.488
  383   2HG   GLU  46          HG3       GLU  46   8.204   7.265  21.743
  384    H    ALA  47           H        ALA  47   7.997   9.031  17.148
  385    HA   ALA  47           HA       ALA  47  10.471   9.284  15.721
  386   1HB   ALA  47          HB1       ALA  47   7.582   9.305  14.688
  387   2HB   ALA  47          HB2       ALA  47   9.033   9.039  13.708
  388   3HB   ALA  47          HB3       ALA  47   8.569   7.848  14.944
  389    H    MET  48           H        MET  48   7.679  11.513  16.250
  390    HA   MET  48           HA       MET  48   8.480  13.395  14.415
  391   1HB   MET  48          HB2       MET  48   6.891  13.734  17.000
  392   2HB   MET  48          HB3       MET  48   7.144  15.006  15.785
  393   1HG   MET  48          HG2       MET  48   5.255  12.820  15.756
  394   2HG   MET  48          HG3       MET  48   5.241  14.332  14.910
  395   1HE   MET  48          HE1       MET  48   7.306  14.572  12.837
  396   2HE   MET  48          HE2       MET  48   6.667  13.647  11.453
  397   3HE   MET  48          HE3       MET  48   5.575  14.631  12.448
  398    HA   PRO  49           HA       PRO  49  11.302  15.812  17.405
  399   1HB   PRO  49          HB2       PRO  49  12.550  14.246  19.371
  400   2HB   PRO  49          HB3       PRO  49  11.238  15.442  19.643
  401   1HG   PRO  49          HG2       PRO  49  11.076  12.457  19.386
  402   2HG   PRO  49          HG3       PRO  49  10.143  13.529  20.466
  403   1HD   PRO  49          HD2       PRO  49   9.078  12.545  18.169
  404   2HD   PRO  49          HD3       PRO  49   8.688  14.190  18.733
  405    H    GLN  50           H        GLN  50  11.753  12.250  16.792
  406    HA   GLN  50           HA       GLN  50  14.523  12.671  16.044
  407   1HB   GLN  50          HB2       GLN  50  12.630  10.385  15.405
  408   2HB   GLN  50          HB3       GLN  50  14.278  10.521  14.785
  409   1HG   GLN  50          HG2       GLN  50  15.018  10.885  17.227
  410   2HG   GLN  50          HG3       GLN  50  13.393  10.360  17.687
  411   1HE2  GLN  50          HE22      GLN  50  16.033   9.308  15.407
  412   2HE2  GLN  50          HE21      GLN  50  15.941   7.621  15.860
  413    H    VAL  51           H        VAL  51  11.473  12.857  14.191
  414    HA   VAL  51           HA       VAL  51  12.598  13.262  11.625
  415    HB   VAL  51           HB       VAL  51  10.026  14.392  12.799
  416   1HG1  VAL  51          HG11      VAL  51  10.876  14.280   9.881
  417   2HG1  VAL  51          HG12      VAL  51   9.286  14.767  10.505
  418   3HG1  VAL  51          HG13      VAL  51  10.705  15.757  10.850
  419   1HG2  VAL  51          HG21      VAL  51  10.363  12.098  10.844
  420   2HG2  VAL  51          HG22      VAL  51  10.049  11.875  12.562
  421   3HG2  VAL  51          HG23      VAL  51   8.850  12.673  11.555
  422    H    ASN  52           H        ASN  52  12.153  15.546  14.420
  423    HA   ASN  52           HA       ASN  52  12.969  17.830  12.946
  424   1HB   ASN  52          HB2       ASN  52  12.455  18.804  14.822
  425   2HB   ASN  52          HB3       ASN  52  12.294  17.271  15.649
  426   1HD2  ASN  52          HD22      ASN  52  14.070  16.524  17.011
  427   2HD2  ASN  52          HD21      ASN  52  15.320  17.640  17.522
  428    H    GLU  53           H        GLU  53  15.069  15.548  14.884
  429    HA   GLU  53           HA       GLU  53  17.371  17.160  14.114
  430   1HB   GLU  53          HB2       GLU  53  18.756  15.496  15.175
  431   2HB   GLU  53          HB3       GLU  53  17.435  16.013  16.219
  432   1HG   GLU  53          HG2       GLU  53  16.242  13.947  15.875
  433   2HG   GLU  53          HG3       GLU  53  17.371  13.421  14.619
  434    H    PHE  54           H        PHE  54  15.815  14.308  12.758
  435    HA   PHE  54           HA       PHE  54  17.882  13.419  10.983
  436   1HB   PHE  54          HB2       PHE  54  16.033  12.068  11.793
  437   2HB   PHE  54          HB3       PHE  54  14.861  13.224  11.197
  438    HD1  PHE  54           HD1      PHE  54  16.883  10.317  10.344
  439    HD2  PHE  54           HD2      PHE  54  14.191  13.367   8.893
  440    HE1  PHE  54           HE1      PHE  54  16.151   8.811   8.506
  441    HE2  PHE  54           HE2      PHE  54  13.466  11.862   7.083
  442    HZ   PHE  54           HZ       PHE  54  14.397   9.564   6.913
  443    H    ARG  55           H        ARG  55  15.051  15.613  10.703
  444    HA   ARG  55           HA       ARG  55  15.441  16.366   8.041
  445   1HB   ARG  55          HB2       ARG  55  13.379  16.832   9.051
  446   2HB   ARG  55          HB3       ARG  55  14.096  17.599  10.440
  447   1HG   ARG  55          HG2       ARG  55  14.066  18.892   7.687
  448   2HG   ARG  55          HG3       ARG  55  12.779  19.056   8.870
  449   1HD   ARG  55          HD2       ARG  55  15.545  20.226   8.975
  450   2HD   ARG  55          HD3       ARG  55  13.992  21.020   9.156
  451    HE   ARG  55           HE       ARG  55  15.209  19.155  11.161
  452   1HH1  ARG  55          HH21      ARG  55  13.061  22.016  10.670
  453   2HH1  ARG  55          HH22      ARG  55  12.753  22.084  12.369
  454   1HH2  ARG  55          HH12      ARG  55  15.065  19.705  13.361
  455   2HH2  ARG  55          HH11      ARG  55  14.086  21.057  13.874
  456    H    ASP  56           H        ASP  56  17.012  17.670  11.023
  457    HA   ASP  56           HA       ASP  56  18.104  19.940   9.535
  458   1HB   ASP  56          HB2       ASP  56  17.656  20.116  11.907
  459   2HB   ASP  56          HB3       ASP  56  18.738  18.753  12.244
  460    H    LYS  57           H        LYS  57  19.288  16.780  10.766
  461    HA   LYS  57           HA       LYS  57  21.959  17.173   9.999
  462   1HB   LYS  57          HB2       LYS  57  20.320  14.654  10.442
  463   2HB   LYS  57          HB3       LYS  57  22.049  14.596  10.085
  464   1HG   LYS  57          HG2       LYS  57  22.589  15.946  12.047
  465   2HG   LYS  57          HG3       LYS  57  20.890  16.131  12.455
  466   1HD   LYS  57          HD2       LYS  57  22.494  13.545  12.472
  467   2HD   LYS  57          HD3       LYS  57  21.907  14.454  13.876
  468   1HE   LYS  57          HE2       LYS  57  19.532  14.037  13.027
  469   2HE   LYS  57          HE3       LYS  57  20.235  12.980  11.800
  470   1HZ   LYS  57          HZ1       LYS  57  19.704  11.544  13.463
  471   2HZ   LYS  57          HZ2       LYS  57  21.273  11.785  13.795
  472   3HZ   LYS  57          HZ3       LYS  57  20.118  12.544  14.708
  473    H    TYR  58           H        TYR  58  19.186  16.007   8.105
  474    HA   TYR  58           HA       TYR  58  21.048  15.481   5.844
  475   1HB   TYR  58          HB2       TYR  58  18.381  14.176   6.391
  476   2HB   TYR  58          HB3       TYR  58  19.560  13.732   5.161
  477    HD1  TYR  58           HD1      TYR  58  22.107  13.445   6.305
  478    HD2  TYR  58           HD2      TYR  58  18.298  12.627   8.163
  479    HE1  TYR  58           HE1      TYR  58  23.233  11.998   7.955
  480    HE2  TYR  58           HE2      TYR  58  19.418  11.179   9.825
  481    HH   TYR  58           HH       TYR  58  22.988  10.766   9.933
  482    H    GLN  59           H        GLN  59  18.654  17.847   6.609
  483    HA   GLN  59           HA       GLN  59  17.322  18.040   4.224
  484   1HB   GLN  59          HB2       GLN  59  17.287  20.553   4.529
  485   2HB   GLN  59          HB3       GLN  59  16.643  19.560   5.810
  486   1HG   GLN  59          HG2       GLN  59  17.877  21.472   6.693
  487   2HG   GLN  59          HG3       GLN  59  18.582  19.964   7.213
  488   1HE2  GLN  59          HE22      GLN  59  20.765  20.023   7.293
  489   2HE2  GLN  59          HE21      GLN  59  21.789  20.913   6.178
  490    H    ASP  60           H        ASP  60  20.720  18.628   4.483
  491    HA   ASP  60           HA       ASP  60  20.959  20.105   1.975
  492   1HB   ASP  60          HB2       ASP  60  22.490  20.419   3.892
  493   2HB   ASP  60          HB3       ASP  60  23.033  18.749   3.743
  494    H    GLN  61           H        GLN  61  20.361  16.850   2.634
  495    HA   GLN  61           HA       GLN  61  21.686  15.833   0.151
  496   1HB   GLN  61          HB2       GLN  61  21.606  14.570   2.921
  497   2HB   GLN  61          HB3       GLN  61  22.359  13.873   1.482
  498   1HG   GLN  61          HG2       GLN  61  23.999  15.744   1.430
  499   2HG   GLN  61          HG3       GLN  61  23.294  16.394   2.913
  500   1HE2  GLN  61          HE22      GLN  61  23.761  15.392   4.941
  501   2HE2  GLN  61          HE21      GLN  61  24.913  14.090   5.082
  502    H    LEU  62           H        LEU  62  18.828  16.028   2.051
  503    HA   LEU  62           HA       LEU  62  17.453  13.841   0.632
  504   1HB   LEU  62          HB2       LEU  62  18.420  12.854   2.716
  505   2HB   LEU  62          HB3       LEU  62  17.777  14.206   3.647
  506    HG   LEU  62           HG       LEU  62  15.440  13.473   3.017
  507   1HD1  LEU  62          HD11      LEU  62  16.921  10.979   2.053
  508   2HD1  LEU  62          HD12      LEU  62  15.163  11.133   2.229
  509   3HD1  LEU  62          HD13      LEU  62  15.998  12.111   1.038
  510   1HD2  LEU  62          HD21      LEU  62  17.147  11.523   4.577
  511   2HD2  LEU  62          HD22      LEU  62  16.421  13.016   5.204
  512   3HD2  LEU  62          HD23      LEU  62  15.382  11.679   4.683
  513    H    ASN  63           H        ASN  63  15.434  14.586   0.146
  514    HA   ASN  63           HA       ASN  63  14.410  17.117   1.344
  515   1HB   ASN  63          HB2       ASN  63  13.124  15.205  -0.664
  516   2HB   ASN  63          HB3       ASN  63  12.492  16.758  -0.141
  517   1HD2  ASN  63          HD22      ASN  63  15.153  15.175  -1.958
  518   2HD2  ASN  63          HD21      ASN  63  15.357  16.526  -3.042
  519    H    VAL  64           H        VAL  64  12.764  16.988   3.006
  520    HA   VAL  64           HA       VAL  64  11.730  14.255   3.578
  521    HB   VAL  64           HB       VAL  64  11.701  16.216   5.780
  522   1HG1  VAL  64          HG11      VAL  64  10.833  13.934   5.899
  523   2HG1  VAL  64          HG12      VAL  64  12.488  13.312   5.691
  524   3HG1  VAL  64          HG13      VAL  64  12.064  14.276   7.125
  525   1HG2  VAL  64          HG21      VAL  64  14.379  14.944   5.088
  526   2HG2  VAL  64          HG22      VAL  64  14.026  16.691   5.156
  527   3HG2  VAL  64          HG23      VAL  64  13.952  15.731   6.628
  528    H    VAL  65           H        VAL  65   9.560  14.117   3.675
  529    HA   VAL  65           HA       VAL  65   7.961  16.496   4.195
  530    HB   VAL  65           HB       VAL  65   6.334  15.957   2.400
  531   1HG1  VAL  65          HG11      VAL  65   9.050  16.690   1.267
  532   2HG1  VAL  65          HG12      VAL  65   7.453  17.074   0.583
  533   3HG1  VAL  65          HG13      VAL  65   7.959  17.795   2.120
  534   1HG2  VAL  65          HG21      VAL  65   7.040  13.626   1.888
  535   2HG2  VAL  65          HG22      VAL  65   6.932  14.643   0.445
  536   3HG2  VAL  65          HG23      VAL  65   8.520  14.252   1.132
  537    H    ALA  66           H        ALA  66   5.741  15.789   4.828
  538    HA   ALA  66           HA       ALA  66   5.514  12.892   5.369
  539   1HB   ALA  66          HB1       ALA  66   6.518  13.872   7.401
  540   2HB   ALA  66          HB2       ALA  66   5.144  14.995   7.542
  541   3HB   ALA  66          HB3       ALA  66   4.905  13.234   7.691
  542    H    VAL  67           H        VAL  67   3.412  12.311   6.204
  543    HA   VAL  67           HA       VAL  67   1.199  13.966   5.104
  544    HB   VAL  67           HB       VAL  67   1.588  10.976   4.674
  545   1HG1  VAL  67          HG11      VAL  67  -0.320  11.212   3.113
  546   2HG1  VAL  67          HG12      VAL  67  -0.784  11.688   4.749
  547   3HG1  VAL  67          HG13      VAL  67  -0.456  12.935   3.530
  548   1HG2  VAL  67          HG21      VAL  67   1.994  13.277   2.715
  549   2HG2  VAL  67          HG22      VAL  67   3.222  12.127   3.283
  550   3HG2  VAL  67          HG23      VAL  67   1.908  11.557   2.261
  551    H    HIS  68           H        HIS  68  -0.352  14.199   6.684
  552    HA   HIS  68           HA       HIS  68  -0.079  12.515   9.094
  553   1HB   HIS  68          HB2       HIS  68  -0.770  15.137   8.921
  554   2HB   HIS  68          HB3       HIS  68  -2.381  14.400   8.882
  555    HD1  HIS  68           HD1      HIS  68   0.827  14.263  11.049
  556    HD2  HIS  68           HD2      HIS  68  -3.284  13.352  11.168
  557    HE1  HIS  68           HE1      HIS  68   0.336  13.465  13.388
  558    H    MET  69           H        MET  69  -1.309  10.742   9.449
  559    HA   MET  69           HA       MET  69  -3.375   9.974   7.460
  560   1HB   MET  69          HB2       MET  69  -1.695   8.311   7.888
  561   2HB   MET  69          HB3       MET  69  -1.860   8.525   9.629
  562   1HG   MET  69          HG2       MET  69  -2.909   6.468   8.955
  563   2HG   MET  69          HG3       MET  69  -4.118   7.576   9.581
  564   1HE   MET  69          HE1       MET  69  -5.943   5.889   8.623
  565   2HE   MET  69          HE2       MET  69  -5.927   5.292   6.946
  566   3HE   MET  69          HE3       MET  69  -4.594   4.882   8.054
  567    HA   PRO  70           HA       PRO  70  -6.137  11.409  10.857
  568   1HB   PRO  70          HB2       PRO  70  -8.482  11.384   9.477
  569   2HB   PRO  70          HB3       PRO  70  -7.290  12.723   9.376
  570   1HG   PRO  70          HG2       PRO  70  -7.667  10.421   7.438
  571   2HG   PRO  70          HG3       PRO  70  -7.462  12.161   7.069
  572   1HD   PRO  70          HD2       PRO  70  -5.391  10.365   6.988
  573   2HD   PRO  70          HD3       PRO  70  -5.158  12.073   7.478
  574    H    ARG  71           H        ARG  71  -6.645   9.866  12.264
  575    HA   ARG  71           HA       ARG  71  -7.372   7.099  11.418
  576   1HB   ARG  71          HB2       ARG  71  -4.902   7.646  11.846
  577   2HB   ARG  71          HB3       ARG  71  -5.369   7.970  13.512
  578   1HG   ARG  71          HG2       ARG  71  -6.474   5.522  13.325
  579   2HG   ARG  71          HG3       ARG  71  -5.362   5.379  11.957
  580   1HD   ARG  71          HD2       ARG  71  -4.211   4.522  13.846
  581   2HD   ARG  71          HD3       ARG  71  -3.521   6.131  13.548
  582    HE   ARG  71           HE       ARG  71  -5.070   6.991  15.320
  583   1HH1  ARG  71          HH21      ARG  71  -3.901   3.643  15.577
  584   2HH1  ARG  71          HH22      ARG  71  -4.412   3.468  17.215
  585   1HH2  ARG  71          HH11      ARG  71  -5.854   6.730  17.321
  586   2HH2  ARG  71          HH12      ARG  71  -5.503   5.322  18.293
  587    H    SER  72           H        SER  72  -7.509   9.696  13.936
  588    HA   SER  72           HA       SER  72  -9.797   8.368  15.248
  589   1HB   SER  72          HB2       SER  72  -8.075   9.132  17.359
  590   2HB   SER  72          HB3       SER  72  -8.564   7.498  16.909
  591    HG   SER  72           HG       SER  72  -6.346   8.894  15.794
  592    H    GLU  73           H        GLU  73 -10.763   9.864  16.946
  593    HA   GLU  73           HA       GLU  73 -11.065  12.443  15.837
  594   1HB   GLU  73          HB2       GLU  73 -11.777  11.538  18.642
  595   2HB   GLU  73          HB3       GLU  73 -12.359  12.998  17.813
  596   1HG   GLU  73          HG2       GLU  73 -13.401  11.591  16.055
  597   2HG   GLU  73          HG3       GLU  73 -12.887  10.136  16.911
  598    H    ASP  74           H        ASP  74  -8.716  11.277  18.183
  599    HA   ASP  74           HA       ASP  74  -7.932  13.823  19.238
  600   1HB   ASP  74          HB2       ASP  74  -7.426  11.544  20.245
  601   2HB   ASP  74          HB3       ASP  74  -6.199  11.337  18.988
  602    H    ASP  75           H        ASP  75  -7.471  12.488  16.105
  603    HA   ASP  75           HA       ASP  75  -5.277  14.396  15.482
  604   1HB   ASP  75          HB2       ASP  75  -4.248  12.705  14.068
  605   2HB   ASP  75          HB3       ASP  75  -4.359  12.132  15.734
  606    H    LEU  76           H        LEU  76  -8.447  13.743  14.936
  607    HA   LEU  76           HA       LEU  76  -8.779  13.702  12.158
  608   1HB   LEU  76          HB2       LEU  76 -10.345  12.845  13.740
  609   2HB   LEU  76          HB3       LEU  76 -10.374  14.363  14.647
  610    HG   LEU  76           HG       LEU  76 -11.588  15.441  12.891
  611   1HD1  LEU  76          HD11      LEU  76 -10.913  14.025  10.918
  612   2HD1  LEU  76          HD12      LEU  76 -11.799  12.658  11.613
  613   3HD1  LEU  76          HD13      LEU  76 -12.673  14.110  11.074
  614   1HD2  LEU  76          HD21      LEU  76 -12.727  14.363  14.809
  615   2HD2  LEU  76          HD22      LEU  76 -13.740  14.320  13.356
  616   3HD2  LEU  76          HD23      LEU  76 -12.875  12.860  13.881
  617    H    ASP  77           H        ASP  77  -7.637  16.335  14.026
  618    HA   ASP  77           HA       ASP  77  -8.976  18.367  12.291
  619   1HB   ASP  77          HB2       ASP  77  -9.890  18.382  14.523
  620   2HB   ASP  77          HB3       ASP  77  -8.266  18.528  15.208
  621    HA   PRO  78           HA       PRO  78  -4.709  19.248  11.168
  622   1HB   PRO  78          HB2       PRO  78  -5.927  21.792  10.164
  623   2HB   PRO  78          HB3       PRO  78  -4.730  20.685   9.405
  624   1HG   PRO  78          HG2       PRO  78  -7.351  20.595   8.670
  625   2HG   PRO  78          HG3       PRO  78  -6.411  19.081   8.905
  626   1HD   PRO  78          HD2       PRO  78  -8.335  20.414  10.830
  627   2HD   PRO  78          HD3       PRO  78  -8.179  18.685  10.393
  628    H    GLY  79           H        GLY  79  -6.574  21.266  13.385
  629   1HA   GLY  79          HA2       GLY  79  -4.482  23.299  13.737
  630   2HA   GLY  79          HA3       GLY  79  -5.990  23.097  14.660
  631    H    LYS  80           H        LYS  80  -5.784  20.355  15.328
  632    HA   LYS  80           HA       LYS  80  -3.971  20.334  17.567
  633   1HB   LYS  80          HB2       LYS  80  -5.134  17.953  16.063
  634   2HB   LYS  80          HB3       LYS  80  -4.455  17.945  17.692
  635   1HG   LYS  80          HG2       LYS  80  -6.303  19.233  18.566
  636   2HG   LYS  80          HG3       LYS  80  -6.973  19.488  16.939
  637   1HD   LYS  80          HD2       LYS  80  -7.187  17.039  16.636
  638   2HD   LYS  80          HD3       LYS  80  -6.592  16.772  18.275
  639   1HE   LYS  80          HE2       LYS  80  -9.150  18.269  17.531
  640   2HE   LYS  80          HE3       LYS  80  -9.071  16.584  18.053
  641   1HZ   LYS  80          HZ1       LYS  80  -8.301  18.916  19.714
  642   2HZ   LYS  80          HZ2       LYS  80  -9.643  18.015  19.889
  643   3HZ   LYS  80          HZ3       LYS  80  -8.187  17.352  20.186
  644    H    ILE  81           H        ILE  81  -3.817  19.002  14.250
  645    HA   ILE  81           HA       ILE  81  -1.320  17.689  14.508
  646    HB   ILE  81           HB       ILE  81  -2.741  18.836  12.080
  647   1HG1  ILE  81          HG12      ILE  81  -2.544  15.961  13.072
  648   2HG1  ILE  81          HG13      ILE  81  -3.908  16.996  13.427
  649   1HG2  ILE  81          HG21      ILE  81  -0.517  16.745  12.060
  650   2HG2  ILE  81          HG22      ILE  81  -1.306  17.506  10.653
  651   3HG2  ILE  81          HG23      ILE  81  -0.236  18.444  11.694
  652   1HD1  ILE  81          HD11      ILE  81  -4.518  17.175  11.076
  653   2HD1  ILE  81          HD12      ILE  81  -3.093  16.238  10.589
  654   3HD1  ILE  81          HD13      ILE  81  -4.370  15.484  11.534
  655    H    LYS  82           H        LYS  82  -1.940  21.011  13.005
  656    HA   LYS  82           HA       LYS  82   0.697  21.734  12.921
  657   1HB   LYS  82          HB2       LYS  82  -1.238  22.988  11.970
  658   2HB   LYS  82          HB3       LYS  82  -1.691  23.525  13.581
  659   1HG   LYS  82          HG2       LYS  82  -0.462  25.228  12.215
  660   2HG   LYS  82          HG3       LYS  82   0.273  24.897  13.786
  661   1HD   LYS  82          HD2       LYS  82   2.008  23.532  12.772
  662   2HD   LYS  82          HD3       LYS  82   1.219  23.610  11.193
  663   1HE   LYS  82          HE2       LYS  82   1.695  25.976  10.982
  664   2HE   LYS  82          HE3       LYS  82   2.110  26.110  12.691
  665   1HZ   LYS  82          HZ1       LYS  82   3.766  24.659  10.683
  666   2HZ   LYS  82          HZ2       LYS  82   4.079  26.118  11.325
  667   3HZ   LYS  82          HZ3       LYS  82   4.098  24.802  12.278
  668    H    GLU  83           H        GLU  83  -1.426  22.235  15.836
  669    HA   GLU  83           HA       GLU  83   0.568  23.639  17.286
  670   1HB   GLU  83          HB2       GLU  83  -1.802  21.934  18.143
  671   2HB   GLU  83          HB3       GLU  83  -0.775  22.750  19.319
  672   1HG   GLU  83          HG2       GLU  83  -2.227  24.213  17.071
  673   2HG   GLU  83          HG3       GLU  83  -2.879  23.990  18.689
  674    H    THR  84           H        THR  84   0.012  20.143  16.920
  675    HA   THR  84           HA       THR  84   1.985  19.326  18.859
  676    HB   THR  84           HB       THR  84   0.641  17.963  16.480
  677    HG1  THR  84           HG1      THR  84  -0.874  18.450  17.892
  678   1HG2  THR  84          HG21      THR  84   2.391  16.846  18.665
  679   2HG2  THR  84          HG22      THR  84   1.173  15.846  17.842
  680   3HG2  THR  84          HG23      THR  84   2.459  16.612  16.893
  681    H    ALA  85           H        ALA  85   2.023  19.453  15.257
  682    HA   ALA  85           HA       ALA  85   4.675  18.755  14.801
  683   1HB   ALA  85          HB1       ALA  85   4.371  20.009  12.651
  684   2HB   ALA  85          HB2       ALA  85   2.979  18.978  13.041
  685   3HB   ALA  85          HB3       ALA  85   2.896  20.735  13.299
  686    H    ALA  86           H        ALA  86   3.370  22.024  15.424
  687    HA   ALA  86           HA       ALA  86   5.687  23.549  15.115
  688   1HB   ALA  86          HB1       ALA  86   3.401  24.463  15.506
  689   2HB   ALA  86          HB2       ALA  86   3.477  23.884  17.193
  690   3HB   ALA  86          HB3       ALA  86   4.583  25.156  16.637
  691    H    GLU  87           H        GLU  87   4.780  21.446  17.817
  692    HA   GLU  87           HA       GLU  87   6.829  22.581  19.618
  693   1HB   GLU  87          HB2       GLU  87   4.647  20.480  19.852
  694   2HB   GLU  87          HB3       GLU  87   5.891  20.650  21.096
  695   1HG   GLU  87          HG2       GLU  87   4.059  22.911  20.176
  696   2HG   GLU  87          HG3       GLU  87   3.735  21.867  21.554
  697    H    HIS  88           H        HIS  88   6.194  19.606  17.706
  698    HA   HIS  88           HA       HIS  88   8.638  18.306  18.360
  699   1HB   HIS  88          HB2       HIS  88   6.852  18.118  15.903
  700   2HB   HIS  88          HB3       HIS  88   8.160  17.002  16.295
  701    HD1  HIS  88           HD1      HIS  88   7.569  16.587  19.410
  702    HD2  HIS  88           HD2      HIS  88   4.754  16.532  16.273
  703    HE1  HIS  88           HE1      HIS  88   5.613  15.214  20.227
  704    H    ASP  89           H        ASP  89   8.224  21.152  16.424
  705    HA   ASP  89           HA       ASP  89   9.732  22.480  15.463
  706   1HB   ASP  89          HB2       ASP  89  11.312  21.725  17.278
  707   2HB   ASP  89          HB3       ASP  89  11.948  20.518  16.159
  708    H    ILE  90           H        ILE  90   8.549  19.848  14.185
  709    HA   ILE  90           HA       ILE  90  10.288  19.407  11.922
  710    HB   ILE  90           HB       ILE  90   8.370  18.098  11.069
  711   1HG1  ILE  90          HG12      ILE  90   6.949  19.013  13.615
  712   2HG1  ILE  90          HG13      ILE  90   6.447  19.313  11.952
  713   1HG2  ILE  90          HG21      ILE  90  10.160  17.240  12.642
  714   2HG2  ILE  90          HG22      ILE  90   9.036  17.477  13.987
  715   3HG2  ILE  90          HG23      ILE  90   8.654  16.329  12.693
  716   1HD1  ILE  90          HD11      ILE  90   5.059  17.591  12.790
  717   2HD1  ILE  90          HD12      ILE  90   6.199  16.799  11.690
  718   3HD1  ILE  90          HD13      ILE  90   6.422  16.697  13.464
  719    H    THR  91           H        THR  91  10.629  20.833  10.373
  720    HA   THR  91           HA       THR  91   8.569  22.876   9.710
  721    HB   THR  91           HB       THR  91  10.521  24.231   8.985
  722    HG1  THR  91           HG1      THR  91  12.154  22.948   8.588
  723   1HG2  THR  91          HG21      THR  91  11.386  24.714  11.253
  724   2HG2  THR  91          HG22      THR  91   9.621  24.549  11.241
  725   3HG2  THR  91          HG23      THR  91  10.618  23.242  11.876
  726    H    GLN  92           H        GLN  92   9.870  20.043   8.489
  727    HA   GLN  92           HA       GLN  92  10.107  20.396   5.711
  728   1HB   GLN  92          HB2       GLN  92   9.151  18.035   5.673
  729   2HB   GLN  92          HB3       GLN  92  10.601  18.249   6.660
  730   1HG   GLN  92          HG2       GLN  92   9.365  18.119   8.706
  731   2HG   GLN  92          HG3       GLN  92   7.823  18.380   7.897
  732   1HE2  GLN  92          HE22      GLN  92   7.326  16.458   9.358
  733   2HE2  GLN  92          HE21      GLN  92   7.592  14.883   8.650
  734    HA   PRO  93           HA       PRO  93   5.810  21.334   4.505
  735   1HB   PRO  93          HB2       PRO  93   6.277  19.392   2.252
  736   2HB   PRO  93          HB3       PRO  93   5.644  21.056   2.178
  737   1HG   PRO  93          HG2       PRO  93   8.198  20.511   1.416
  738   2HG   PRO  93          HG3       PRO  93   7.811  21.996   2.341
  739   1HD   PRO  93          HD2       PRO  93   8.985  19.402   3.363
  740   2HD   PRO  93          HD3       PRO  93   9.433  21.089   3.754
  741    H    ILE  94           H        ILE  94   3.866  20.285   5.128
  742    HA   ILE  94           HA       ILE  94   3.819  17.332   5.270
  743    HB   ILE  94           HB       ILE  94   2.893  19.186   7.509
  744   1HG1  ILE  94          HG12      ILE  94   5.331  17.368   7.400
  745   2HG1  ILE  94          HG13      ILE  94   5.288  19.136   7.474
  746   1HG2  ILE  94          HG21      ILE  94   1.517  17.126   7.281
  747   2HG2  ILE  94          HG22      ILE  94   2.984  16.135   7.403
  748   3HG2  ILE  94          HG23      ILE  94   2.429  17.130   8.772
  749   1HD1  ILE  94          HD11      ILE  94   4.594  17.250   9.708
  750   2HD1  ILE  94          HD12      ILE  94   5.894  18.449   9.622
  751   3HD1  ILE  94          HD13      ILE  94   4.210  18.993   9.731
  752    H    PHE  95           H        PHE  95   1.714  16.568   4.688
  753    HA   PHE  95           HA       PHE  95  -0.372  18.645   4.538
  754   1HB   PHE  95          HB2       PHE  95  -0.889  18.484   2.379
  755   2HB   PHE  95          HB3       PHE  95   0.822  18.196   2.232
  756    HD1  PHE  95           HD1      PHE  95  -2.546  16.829   1.888
  757    HD2  PHE  95           HD2      PHE  95   1.652  15.861   1.666
  758    HE1  PHE  95           HE1      PHE  95  -3.074  14.803   0.566
  759    HE2  PHE  95           HE2      PHE  95   1.107  13.836   0.330
  760    HZ   PHE  95           HZ       PHE  95  -1.286  13.321  -0.240
  761    H    VAL  96           H        VAL  96  -2.521  17.793   4.350
  762    HA   VAL  96           HA       VAL  96  -2.937  14.987   4.901
  763    HB   VAL  96           HB       VAL  96  -2.666  15.690   7.126
  764   1HG1  VAL  96          HG11      VAL  96  -3.900  17.428   8.307
  765   2HG1  VAL  96          HG12      VAL  96  -2.853  18.070   7.055
  766   3HG1  VAL  96          HG13      VAL  96  -4.614  17.969   6.763
  767   1HG2  VAL  96          HG21      VAL  96  -4.776  15.112   8.162
  768   2HG2  VAL  96          HG22      VAL  96  -5.673  15.582   6.707
  769   3HG2  VAL  96          HG23      VAL  96  -4.589  14.177   6.670
  770    H    ASP  97           H        ASP  97  -5.092  14.424   4.215
  771    HA   ASP  97           HA       ASP  97  -6.686  16.560   2.932
  772   1HB   ASP  97          HB2       ASP  97  -4.993  15.843   1.317
  773   2HB   ASP  97          HB3       ASP  97  -5.537  14.164   1.478
  774    H    SER  98           H        SER  98  -8.827  15.964   2.493
  775    HA   SER  98           HA       SER  98  -9.993  14.128   4.303
  776   1HB   SER  98          HB2       SER  98 -11.264  15.426   1.867
  777   2HB   SER  98          HB3       SER  98 -12.056  14.934   3.377
  778    HG   SER  98           HG       SER  98 -11.647  17.187   3.298
  779    H    ASP  99           H        ASP  99  -8.670  13.582   1.113
  780    HA   ASP  99           HA       ASP  99 -10.109  10.969   0.908
  781   1HB   ASP  99          HB2       ASP  99 -10.975  12.550  -0.724
  782   2HB   ASP  99          HB3       ASP  99  -9.346  12.946  -1.268
  783    H    HIS 100           H        HIS 100  -7.057  12.761   0.291
  784    HA   HIS 100           HA       HIS 100  -4.986  12.214  -0.069
  785   1HB   HIS 100          HB2       HIS 100  -5.705   9.736   1.506
  786   2HB   HIS 100          HB3       HIS 100  -4.105   9.965   0.805
  787    HD1  HIS 100           HD1      HIS 100  -5.634  10.509   4.001
  788    HD2  HIS 100           HD2      HIS 100  -3.147  12.706   1.409
  789    HE1  HIS 100           HE1      HIS 100  -4.432  12.232   5.440
  790    H    ALA 101           H        ALA 101  -4.748  12.265  -2.192
  791    HA   ALA 101           HA       ALA 101  -5.689  10.292  -4.039
  792   1HB   ALA 101          HB1       ALA 101  -3.351  12.240  -4.236
  793   2HB   ALA 101          HB2       ALA 101  -4.112  11.382  -5.595
  794   3HB   ALA 101          HB3       ALA 101  -5.033  12.593  -4.681
  795    H    LEU 102           H        LEU 102  -3.067  10.263  -1.792
  796    HA   LEU 102           HA       LEU 102  -1.333   8.350  -3.088
  797   1HB   LEU 102          HB2       LEU 102  -1.553   9.526  -0.291
  798   2HB   LEU 102          HB3       LEU 102  -0.729   7.972  -0.514
  799    HG   LEU 102           HG       LEU 102   0.688   8.880  -2.216
  800   1HD1  LEU 102          HD11      LEU 102  -0.581  10.762  -3.053
  801   2HD1  LEU 102          HD12      LEU 102  -0.418  11.610  -1.498
  802   3HD1  LEU 102          HD13      LEU 102   1.012  11.273  -2.505
  803   1HD2  LEU 102          HD21      LEU 102   0.809  10.422   0.416
  804   2HD2  LEU 102          HD22      LEU 102   1.421   8.777   0.131
  805   3HD2  LEU 102          HD23      LEU 102   2.181  10.149  -0.687
  806    H    THR 103           H        THR 103  -4.314   8.100  -1.170
  807    HA   THR 103           HA       THR 103  -3.804   5.386  -0.396
  808    HB   THR 103           HB       THR 103  -6.209   5.143  -0.085
  809    HG1  THR 103           HG1      THR 103  -6.372   7.857  -0.938
  810   1HG2  THR 103          HG21      THR 103  -6.421   6.844   1.754
  811   2HG2  THR 103          HG22      THR 103  -4.924   5.905   1.781
  812   3HG2  THR 103          HG23      THR 103  -4.901   7.573   1.187
  813    H    ASP 104           H        ASP 104  -4.620   6.748  -3.534
  814    HA   ASP 104           HA       ASP 104  -5.576   4.197  -4.549
  815   1HB   ASP 104          HB2       ASP 104  -6.172   6.396  -5.592
  816   2HB   ASP 104          HB3       ASP 104  -4.467   6.659  -6.003
  817    H    ALA 105           H        ALA 105  -2.473   5.593  -3.886
  818    HA   ALA 105           HA       ALA 105  -1.138   3.517  -5.599
  819   1HB   ALA 105          HB1       ALA 105  -0.116   6.142  -4.489
  820   2HB   ALA 105          HB2       ALA 105   0.797   5.006  -5.521
  821   3HB   ALA 105          HB3       ALA 105  -0.632   5.837  -6.166
  822    H    PHE 106           H        PHE 106  -1.650   4.449  -2.281
  823    HA   PHE 106           HA       PHE 106   0.489   2.598  -1.318
  824   1HB   PHE 106          HB2       PHE 106  -0.739   5.134  -0.151
  825   2HB   PHE 106          HB3       PHE 106   0.164   3.996   0.794
  826    HD1  PHE 106           HD1      PHE 106   2.498   4.104   0.999
  827    HD2  PHE 106           HD2      PHE 106   0.534   6.358  -2.099
  828    HE1  PHE 106           HE1      PHE 106   4.528   5.474   0.716
  829    HE2  PHE 106           HE2      PHE 106   2.610   7.711  -2.384
  830    HZ   PHE 106           HZ       PHE 106   4.597   7.271  -0.997
  831    H    GLU 107           H        GLU 107  -2.988   3.339  -1.368
  832    HA   GLU 107           HA       GLU 107  -4.657   2.946   0.082
  833   1HB   GLU 107          HB2       GLU 107  -4.143   0.960  -1.533
  834   2HB   GLU 107          HB3       GLU 107  -3.816   0.059  -0.048
  835   1HG   GLU 107          HG2       GLU 107  -6.116   0.811   0.774
  836   2HG   GLU 107          HG3       GLU 107  -6.359   1.589  -0.795
  837    H    ASN 108           H        ASN 108  -2.889   4.067   1.572
  838    HA   ASN 108           HA       ASN 108  -1.480   3.061   3.581
  839   1HB   ASN 108          HB2       ASN 108  -1.843   5.488   3.053
  840   2HB   ASN 108          HB3       ASN 108  -3.342   5.438   3.985
  841   1HD2  ASN 108          HD22      ASN 108  -2.943   4.507   6.421
  842   2HD2  ASN 108          HD21      ASN 108  -1.418   4.986   7.160
  843    H    GLU 109           H        GLU 109  -1.734   1.731   5.321
  844    HA   GLU 109           HA       GLU 109  -4.206   1.824   6.917
  845   1HB   GLU 109          HB2       GLU 109  -4.393   0.142   4.944
  846   2HB   GLU 109          HB3       GLU 109  -3.229  -0.844   5.825
  847   1HG   GLU 109          HG2       GLU 109  -4.841  -0.885   7.774
  848   2HG   GLU 109          HG3       GLU 109  -5.937   0.142   6.857
  849    H    TYR 110           H        TYR 110  -1.421   2.694   7.428
  850    HA   TYR 110           HA       TYR 110  -0.601   1.118   9.715
  851   1HB   TYR 110          HB2       TYR 110   1.733   1.193   8.652
  852   2HB   TYR 110          HB3       TYR 110   0.584   0.098   7.881
  853    HD1  TYR 110           HD1      TYR 110   0.243   0.182   5.547
  854    HD2  TYR 110           HD2      TYR 110   1.957   3.586   7.571
  855    HE1  TYR 110           HE1      TYR 110   0.402   1.402   3.388
  856    HE2  TYR 110           HE2      TYR 110   2.080   4.816   5.449
  857    HH   TYR 110           HH       TYR 110   1.509   4.815   3.229
  858    H    VAL 111           H        VAL 111   0.677   2.402  10.978
  859    HA   VAL 111           HA       VAL 111   1.987   4.820  10.337
  860    HB   VAL 111           HB       VAL 111   0.809   6.160  12.234
  861   1HG1  VAL 111          HG11      VAL 111  -0.796   6.219   9.712
  862   2HG1  VAL 111          HG12      VAL 111  -0.248   7.515  10.767
  863   3HG1  VAL 111          HG13      VAL 111   0.913   6.691   9.717
  864   1HG2  VAL 111          HG21      VAL 111  -1.639   4.583  11.351
  865   2HG2  VAL 111          HG22      VAL 111  -0.830   4.427  12.930
  866   3HG2  VAL 111          HG23      VAL 111  -1.569   5.959  12.467
  867    HA   PRO 112           HA       PRO 112   3.314   6.258  11.418
  868   1HB   PRO 112          HB2       PRO 112   5.964   6.237  12.210
  869   2HB   PRO 112          HB3       PRO 112   4.673   7.077  13.093
  870   1HG   PRO 112          HG2       PRO 112   5.875   4.362  13.646
  871   2HG   PRO 112          HG3       PRO 112   5.438   5.640  14.821
  872   1HD   PRO 112          HD2       PRO 112   3.827   3.473  14.354
  873   2HD   PRO 112          HD3       PRO 112   3.134   5.089  14.695
  874    H    ALA 113           H        ALA 113   4.570   6.194   9.394
  875    HA   ALA 113           HA       ALA 113   6.336   3.883   9.007
  876   1HB   ALA 113          HB1       ALA 113   4.083   4.372   7.026
  877   2HB   ALA 113          HB2       ALA 113   5.368   3.168   6.882
  878   3HB   ALA 113          HB3       ALA 113   4.155   2.992   8.163
  879    H    TYR 114           H        TYR 114   7.630   3.996   7.118
  880    HA   TYR 114           HA       TYR 114   8.118   6.794   6.207
  881   1HB   TYR 114          HB2       TYR 114  10.295   4.912   7.101
  882   2HB   TYR 114          HB3       TYR 114  10.350   6.663   6.959
  883    HD1  TYR 114           HD1      TYR 114   8.256   7.716   8.607
  884    HD2  TYR 114           HD2      TYR 114  10.597   4.159   9.277
  885    HE1  TYR 114           HE1      TYR 114   7.792   7.873  11.039
  886    HE2  TYR 114           HE2      TYR 114  10.168   4.325  11.707
  887    HH   TYR 114           HH       TYR 114   9.267   5.666  13.422
  888    H    TYR 115           H        TYR 115   9.085   6.940   4.159
  889    HA   TYR 115           HA       TYR 115   9.541   4.430   2.616
  890   1HB   TYR 115          HB2       TYR 115   7.599   6.696   1.990
  891   2HB   TYR 115          HB3       TYR 115   8.290   5.659   0.754
  892    HD1  TYR 115           HD1      TYR 115   7.222   3.717   0.087
  893    HD2  TYR 115           HD2      TYR 115   6.208   5.467   3.891
  894    HE1  TYR 115           HE1      TYR 115   5.388   2.091   0.338
  895    HE2  TYR 115           HE2      TYR 115   4.315   3.891   4.118
  896    HH   TYR 115           HH       TYR 115   3.159   2.099   3.135
  897    H    VAL 116           H        VAL 116  11.282   4.719   1.223
  898    HA   VAL 116           HA       VAL 116  12.586   7.411   1.328
  899    HB   VAL 116           HB       VAL 116  14.167   4.833   1.258
  900   1HG1  VAL 116          HG11      VAL 116  15.289   6.985   0.812
  901   2HG1  VAL 116          HG12      VAL 116  14.721   7.624   2.366
  902   3HG1  VAL 116          HG13      VAL 116  15.876   6.279   2.330
  903   1HG2  VAL 116          HG21      VAL 116  13.106   6.064   3.823
  904   2HG2  VAL 116          HG22      VAL 116  12.863   4.408   3.239
  905   3HG2  VAL 116          HG23      VAL 116  14.472   4.940   3.737
  906    H    PHE 117           H        PHE 117  13.216   8.176  -0.641
  907    HA   PHE 117           HA       PHE 117  12.900   6.381  -2.999
  908   1HB   PHE 117          HB2       PHE 117  12.052   9.291  -2.723
  909   2HB   PHE 117          HB3       PHE 117  11.882   8.268  -4.140
  910    HD1  PHE 117           HD1      PHE 117  10.673   8.769  -0.632
  911    HD2  PHE 117           HD2      PHE 117   9.960   6.840  -4.422
  912    HE1  PHE 117           HE1      PHE 117   8.431   8.070   0.131
  913    HE2  PHE 117           HE2      PHE 117   7.693   6.200  -3.673
  914    HZ   PHE 117           HZ       PHE 117   6.928   6.789  -1.383
  915    H    ASP 118           H        ASP 118  14.400   6.656  -4.563
  916    HA   ASP 118           HA       ASP 118  16.818   8.158  -3.984
  917   1HB   ASP 118          HB2       ASP 118  17.794   7.196  -5.743
  918   2HB   ASP 118          HB3       ASP 118  16.551   6.004  -5.424
  919    H    LYS 119           H        LYS 119  17.799   9.633  -5.682
  920    HA   LYS 119           HA       LYS 119  16.374  12.036  -5.673
  921   1HB   LYS 119          HB2       LYS 119  18.111  13.014  -6.947
  922   2HB   LYS 119          HB3       LYS 119  18.834  11.915  -5.786
  923   1HG   LYS 119          HG2       LYS 119  19.851  10.739  -7.371
  924   2HG   LYS 119          HG3       LYS 119  18.385  10.525  -8.313
  925   1HD   LYS 119          HD2       LYS 119  19.919  13.165  -8.394
  926   2HD   LYS 119          HD3       LYS 119  20.431  11.771  -9.359
  927   1HE   LYS 119          HE2       LYS 119  18.225  11.646 -10.435
  928   2HE   LYS 119          HE3       LYS 119  17.650  13.023  -9.488
  929   1HZ   LYS 119          HZ1       LYS 119  19.947  13.187 -11.358
  930   2HZ   LYS 119          HZ2       LYS 119  18.422  13.560 -11.779
  931   3HZ   LYS 119          HZ3       LYS 119  19.165  14.446 -10.639
  932    H    THR 120           H        THR 120  15.491   9.544  -7.714
  933    HA   THR 120           HA       THR 120  14.182  11.564  -9.454
  934    HB   THR 120           HB       THR 120  16.117  10.462 -10.598
  935    HG1  THR 120           HG1      THR 120  14.622  11.471 -11.816
  936   1HG2  THR 120          HG21      THR 120  14.314   8.010 -10.612
  937   2HG2  THR 120          HG22      THR 120  15.706   8.267 -11.689
  938   3HG2  THR 120          HG23      THR 120  15.953   8.160  -9.947
  939    H    GLY 121           H        GLY 121  13.675   9.793  -6.947
  940   1HA   GLY 121          HA2       GLY 121  11.674   9.548  -5.948
  941   2HA   GLY 121          HA3       GLY 121  10.829   9.747  -7.489
  942    H    GLN 122           H        GLN 122  13.319   7.268  -7.571
  943    HA   GLN 122           HA       GLN 122  11.160   5.301  -7.816
  944   1HB   GLN 122          HB2       GLN 122  12.600   3.908  -8.790
  945   2HB   GLN 122          HB3       GLN 122  13.459   5.399  -9.130
  946   1HG   GLN 122          HG2       GLN 122  14.926   4.905  -7.115
  947   2HG   GLN 122          HG3       GLN 122  14.082   3.369  -6.945
  948   1HE2  GLN 122          HE22      GLN 122  16.503   5.139  -8.827
  949   2HE2  GLN 122          HE21      GLN 122  16.947   3.784  -9.852
  950    H    LEU 123           H        LEU 123  10.276   4.404  -6.133
  951    HA   LEU 123           HA       LEU 123  10.956   4.742  -3.455
  952   1HB   LEU 123          HB2       LEU 123   8.760   4.112  -4.192
  953   2HB   LEU 123          HB3       LEU 123   9.341   2.559  -4.794
  954    HG   LEU 123           HG       LEU 123   9.771   1.735  -2.613
  955   1HD1  LEU 123          HD11      LEU 123   9.333   3.069  -0.534
  956   2HD1  LEU 123          HD12      LEU 123  10.712   3.657  -1.443
  957   3HD1  LEU 123          HD13      LEU 123   9.180   4.530  -1.538
  958   1HD2  LEU 123          HD21      LEU 123   7.546   1.795  -1.596
  959   2HD2  LEU 123          HD22      LEU 123   7.154   3.282  -2.496
  960   3HD2  LEU 123          HD23      LEU 123   7.399   1.753  -3.357
  961    H    ARG 124           H        ARG 124  12.897   4.158  -2.519
  962    HA   ARG 124           HA       ARG 124  14.283   1.737  -3.474
  963   1HB   ARG 124          HB2       ARG 124  15.089   3.915  -1.498
  964   2HB   ARG 124          HB3       ARG 124  16.082   2.513  -1.874
  965   1HG   ARG 124          HG2       ARG 124  15.230   4.690  -3.812
  966   2HG   ARG 124          HG3       ARG 124  16.837   4.458  -3.135
  967   1HD   ARG 124          HD2       ARG 124  15.407   2.618  -5.102
  968   2HD   ARG 124          HD3       ARG 124  16.766   3.677  -5.444
  969    HE   ARG 124           HE       ARG 124  18.189   2.323  -3.978
  970   1HH1  ARG 124          HH21      ARG 124  15.255   0.663  -5.188
  971   2HH1  ARG 124          HH22      ARG 124  15.869  -0.899  -4.783
  972   1HH2  ARG 124          HH11      ARG 124  18.956   0.416  -3.571
  973   2HH2  ARG 124          HH12      ARG 124  18.088  -1.083  -3.864
  974    H    HIS 125           H        HIS 125  12.634   2.866  -0.449
  975    HA   HIS 125           HA       HIS 125  12.432   0.062   0.384
  976   1HB   HIS 125          HB2       HIS 125  14.734   0.818   1.097
  977   2HB   HIS 125          HB3       HIS 125  13.988   2.119   2.018
  978    HD1  HIS 125           HD1      HIS 125  14.314  -1.738   2.051
  979    HD2  HIS 125           HD2      HIS 125  13.047   1.507   4.412
  980    HE1  HIS 125           HE1      HIS 125  13.998  -2.652   4.404
  981    H    PHE 126           H        PHE 126  11.069  -0.160   2.285
  982    HA   PHE 126           HA       PHE 126   9.690   2.193   3.353
  983   1HB   PHE 126          HB2       PHE 126   7.935   1.757   1.986
  984   2HB   PHE 126          HB3       PHE 126   8.422   0.113   1.636
  985    HD1  PHE 126           HD1      PHE 126   6.813   2.197   4.340
  986    HD2  PHE 126           HD2      PHE 126   7.319  -1.726   2.618
  987    HE1  PHE 126           HE1      PHE 126   4.984   1.304   5.794
  988    HE2  PHE 126           HE2      PHE 126   5.548  -2.607   4.115
  989    HZ   PHE 126           HZ       PHE 126   4.381  -1.081   5.704
  990    H    GLN 127           H        GLN 127   9.130   1.863   5.493
  991    HA   GLN 127           HA       GLN 127   8.999  -0.792   6.597
  992   1HB   GLN 127          HB2       GLN 127  11.523   0.435   6.782
  993   2HB   GLN 127          HB3       GLN 127  10.770   0.890   8.304
  994   1HG   GLN 127          HG2       GLN 127  11.045  -1.955   7.209
  995   2HG   GLN 127          HG3       GLN 127  12.077  -1.237   8.440
  996   1HE2  GLN 127          HE22      GLN 127  11.065  -0.641  10.564
  997   2HE2  GLN 127          HE21      GLN 127   9.494  -1.285  11.002
  998    H    ALA 128           H        ALA 128   7.987  -0.650   8.807
  999    HA   ALA 128           HA       ALA 128   6.763   1.980   9.381
 1000   1HB   ALA 128          HB1       ALA 128   5.101   0.662   8.085
 1001   2HB   ALA 128          HB2       ALA 128   5.260  -0.678   9.242
 1002   3HB   ALA 128          HB3       ALA 128   4.584   0.878   9.767
 1003    H    GLY 129           H        GLY 129   6.180   2.241  11.575
 1004   1HA   GLY 129          HA2       GLY 129   6.464   2.038  13.837
 1005   2HA   GLY 129          HA3       GLY 129   6.774   0.311  13.640
 1006    H    GLY 130           H        GLY 130   8.165   1.536  15.501
 1007   1HA   GLY 130          HA2       GLY 130  10.784   0.931  15.392
 1008   2HA   GLY 130          HA3       GLY 130  10.765   2.560  14.678
 1009    H    SER 131           H        SER 131  11.921   1.946  17.320
 1010    HA   SER 131           HA       SER 131  10.201   2.839  19.413
 1011   1HB   SER 131          HB2       SER 131  13.189   3.343  19.163
 1012   2HB   SER 131          HB3       SER 131  12.223   3.223  20.647
 1013    HG   SER 131           HG       SER 131  13.375   1.288  20.187
 1014    H    GLY 132           H        GLY 132  11.784   4.471  16.803
 1015   1HA   GLY 132          HA2       GLY 132  10.149   6.773  16.946
 1016   2HA   GLY 132          HA3       GLY 132  11.820   7.208  17.374
 1017    H    MET 133           H        MET 133  13.429   7.068  15.749
 1018    HA   MET 133           HA       MET 133  12.737   5.755  13.158
 1019   1HB   MET 133          HB2       MET 133  13.810   8.596  13.369
 1020   2HB   MET 133          HB3       MET 133  13.505   7.686  11.894
 1021   1HG   MET 133          HG2       MET 133  11.052   7.522  12.800
 1022   2HG   MET 133          HG3       MET 133  11.530   8.931  13.750
 1023   1HE   MET 133          HE1       MET 133  12.731  11.260  10.635
 1024   2HE   MET 133          HE2       MET 133  13.034  10.902  12.350
 1025   3HE   MET 133          HE3       MET 133  13.745   9.881  11.082
 1026    H    LYS 134           H        LYS 134  14.901   5.299  15.486
 1027    HA   LYS 134           HA       LYS 134  17.389   6.028  14.233
 1028   1HB   LYS 134          HB2       LYS 134  16.699   3.957  16.355
 1029   2HB   LYS 134          HB3       LYS 134  18.324   4.091  15.714
 1030   1HG   LYS 134          HG2       LYS 134  16.798   6.274  17.178
 1031   2HG   LYS 134          HG3       LYS 134  18.129   5.313  17.799
 1032   1HD   LYS 134          HD2       LYS 134  18.282   7.467  15.647
 1033   2HD   LYS 134          HD3       LYS 134  18.963   7.490  17.270
 1034   1HE   LYS 134          HE2       LYS 134  20.445   5.552  16.622
 1035   2HE   LYS 134          HE3       LYS 134  19.828   5.682  14.966
 1036   1HZ   LYS 134          HZ1       LYS 134  21.924   6.861  15.271
 1037   2HZ   LYS 134          HZ2       LYS 134  20.755   7.912  14.832
 1038   3HZ   LYS 134          HZ3       LYS 134  21.269   7.842  16.393
 1039    H    MET 135           H        MET 135  15.384   3.085  13.781
 1040    HA   MET 135           HA       MET 135  17.398   1.828  12.157
 1041   1HB   MET 135          HB2       MET 135  15.731   0.264  11.485
 1042   2HB   MET 135          HB3       MET 135  15.619   0.549  13.205
 1043   1HG   MET 135          HG2       MET 135  13.456   0.978  13.030
 1044   2HG   MET 135          HG3       MET 135  13.750   2.354  11.990
 1045   1HE   MET 135          HE1       MET 135  14.995   0.953   9.347
 1046   2HE   MET 135          HE2       MET 135  13.540   0.648   8.383
 1047   3HE   MET 135          HE3       MET 135  13.714   2.187   9.244
 1048    H    LEU 136           H        LEU 136  14.709   4.090  11.389
 1049    HA   LEU 136           HA       LEU 136  14.994   3.973   8.556
 1050   1HB   LEU 136          HB2       LEU 136  13.084   5.067   9.786
 1051   2HB   LEU 136          HB3       LEU 136  14.194   6.346  10.282
 1052    HG   LEU 136           HG       LEU 136  14.577   6.935   7.863
 1053   1HD1  LEU 136          HD11      LEU 136  12.524   4.738   7.451
 1054   2HD1  LEU 136          HD12      LEU 136  12.831   6.005   6.247
 1055   3HD1  LEU 136          HD13      LEU 136  14.127   4.906   6.712
 1056   1HD2  LEU 136          HD21      LEU 136  12.327   7.986   7.586
 1057   2HD2  LEU 136          HD22      LEU 136  11.792   7.068   9.015
 1058   3HD2  LEU 136          HD23      LEU 136  13.096   8.244   9.154
 1059    H    GLU 137           H        GLU 137  16.682   5.908  11.033
 1060    HA   GLU 137           HA       GLU 137  18.095   7.599   9.294
 1061   1HB   GLU 137          HB2       GLU 137  17.817   7.769  11.768
 1062   2HB   GLU 137          HB3       GLU 137  19.034   6.504  11.977
 1063   1HG   GLU 137          HG2       GLU 137  20.775   7.877  11.123
 1064   2HG   GLU 137          HG3       GLU 137  19.637   8.982  10.343
 1065    H    LYS 138           H        LYS 138  18.729   4.184  10.134
 1066    HA   LYS 138           HA       LYS 138  21.378   4.117   8.927
 1067   1HB   LYS 138          HB2       LYS 138  19.454   1.760   9.121
 1068   2HB   LYS 138          HB3       LYS 138  21.201   1.727   9.026
 1069   1HG   LYS 138          HG2       LYS 138  19.468   2.541  11.374
 1070   2HG   LYS 138          HG3       LYS 138  20.492   1.123  11.251
 1071   1HD   LYS 138          HD2       LYS 138  21.446   4.014  11.436
 1072   2HD   LYS 138          HD3       LYS 138  21.443   2.818  12.736
 1073   1HE   LYS 138          HE2       LYS 138  22.995   1.376  11.415
 1074   2HE   LYS 138          HE3       LYS 138  23.039   2.596  10.138
 1075   1HZ   LYS 138          HZ1       LYS 138  23.986   3.000  12.918
 1076   2HZ   LYS 138          HZ2       LYS 138  24.934   2.793  11.612
 1077   3HZ   LYS 138          HZ3       LYS 138  24.025   4.137  11.741
 1078    H    ARG 139           H        ARG 139  17.996   3.448   7.845
 1079    HA   ARG 139           HA       ARG 139  18.777   2.508   5.326
 1080   1HB   ARG 139          HB2       ARG 139  16.517   2.185   6.409
 1081   2HB   ARG 139          HB3       ARG 139  16.148   3.869   6.040
 1082   1HG   ARG 139          HG2       ARG 139  15.161   2.498   4.341
 1083   2HG   ARG 139          HG3       ARG 139  16.463   3.414   3.608
 1084   1HD   ARG 139          HD2       ARG 139  16.480   1.117   2.769
 1085   2HD   ARG 139          HD3       ARG 139  17.943   1.429   3.677
 1086    HE   ARG 139           HE       ARG 139  15.523   0.009   4.769
 1087   1HH1  ARG 139          HH21      ARG 139  19.055  -0.004   4.347
 1088   2HH1  ARG 139          HH22      ARG 139  19.315  -1.257   5.500
 1089   1HH2  ARG 139          HH11      ARG 139  15.870  -1.629   6.286
 1090   2HH2  ARG 139          HH12      ARG 139  17.452  -2.245   6.580
 1091    H    VAL 140           H        VAL 140  17.803   5.842   6.330
 1092    HA   VAL 140           HA       VAL 140  18.092   7.039   3.789
 1093    HB   VAL 140           HB       VAL 140  18.313   7.992   6.654
 1094   1HG1  VAL 140          HG11      VAL 140  19.979   9.421   5.553
 1095   2HG1  VAL 140          HG12      VAL 140  18.823   9.797   4.252
 1096   3HG1  VAL 140          HG13      VAL 140  18.526  10.328   5.931
 1097   1HG2  VAL 140          HG21      VAL 140  16.475   8.556   4.278
 1098   2HG2  VAL 140          HG22      VAL 140  16.090   7.607   5.736
 1099   3HG2  VAL 140          HG23      VAL 140  16.361   9.360   5.840
 1100    H    ASN 141           H        ASN 141  20.646   6.372   6.286
 1101    HA   ASN 141           HA       ASN 141  22.613   7.784   4.719
 1102   1HB   ASN 141          HB2       ASN 141  22.798   5.846   7.061
 1103   2HB   ASN 141          HB3       ASN 141  24.237   6.367   6.193
 1104   1HD2  ASN 141          HD22      ASN 141  21.563   7.536   8.259
 1105   2HD2  ASN 141          HD21      ASN 141  22.297   9.080   8.620
 1106    H    ARG 142           H        ARG 142  21.487   4.383   4.749
 1107    HA   ARG 142           HA       ARG 142  23.490   3.487   2.908
 1108   1HB   ARG 142          HB2       ARG 142  21.561   2.214   4.348
 1109   2HB   ARG 142          HB3       ARG 142  20.757   2.241   2.780
 1110   1HG   ARG 142          HG2       ARG 142  23.524   1.155   3.429
 1111   2HG   ARG 142          HG3       ARG 142  22.066   0.199   3.155
 1112   1HD   ARG 142          HD2       ARG 142  22.000   1.006   0.792
 1113   2HD   ARG 142          HD3       ARG 142  23.528   1.869   1.045
 1114    HE   ARG 142           HE       ARG 142  24.275  -0.550   1.830
 1115   1HH1  ARG 142          HH22      ARG 142  22.360   0.296  -1.085
 1116   2HH1  ARG 142          HH21      ARG 142  23.078  -0.960  -2.035
 1117   1HH2  ARG 142          HH11      ARG 142  25.144  -2.222   0.547
 1118   2HH2  ARG 142          HH12      ARG 142  24.653  -2.426  -1.089
 1119    H    VAL 143           H        VAL 143  20.167   4.832   2.381
 1120    HA   VAL 143           HA       VAL 143  20.249   4.632  -0.437
 1121    HB   VAL 143           HB       VAL 143  18.683   6.465   1.373
 1122   1HG1  VAL 143          HG11      VAL 143  18.857   7.628  -0.790
 1123   2HG1  VAL 143          HG12      VAL 143  18.445   6.137  -1.658
 1124   3HG1  VAL 143          HG13      VAL 143  17.245   6.936  -0.620
 1125   1HG2  VAL 143          HG21      VAL 143  17.998   3.993  -0.304
 1126   2HG2  VAL 143          HG22      VAL 143  18.140   4.034   1.461
 1127   3HG2  VAL 143          HG23      VAL 143  16.839   4.919   0.659
 1128    H    LEU 144           H        LEU 144  21.505   7.235   1.712
 1129    HA   LEU 144           HA       LEU 144  22.411   8.947  -0.387
 1130   1HB   LEU 144          HB2       LEU 144  23.637   8.484   2.366
 1131   2HB   LEU 144          HB3       LEU 144  24.108   9.767   1.260
 1132    HG   LEU 144           HG       LEU 144  21.347   9.425   2.444
 1133   1HD1  LEU 144          HD11      LEU 144  23.533  11.415   3.162
 1134   2HD1  LEU 144          HD12      LEU 144  21.899  11.354   3.865
 1135   3HD1  LEU 144          HD13      LEU 144  23.035  10.026   4.146
 1136   1HD2  LEU 144          HD21      LEU 144  22.510  11.662   0.751
 1137   2HD2  LEU 144          HD22      LEU 144  21.156  10.592   0.340
 1138   3HD2  LEU 144          HD23      LEU 144  20.967  11.760   1.638
 1139    H    ALA 145           H        ALA 145  24.026   6.264   1.359
 1140    HA   ALA 145           HA       ALA 145  26.440   6.326  -0.105
 1141   1HB   ALA 145          HB1       ALA 145  25.195   3.963   1.350
 1142   2HB   ALA 145          HB2       ALA 145  26.904   4.186   0.946
 1143   3HB   ALA 145          HB3       ALA 145  26.136   5.262   2.125
 1144    H    GLU 146           H        GLU 146  23.425   5.537  -1.478
 1145    HA   GLU 146           HA       GLU 146  24.893   4.116  -3.630
 1146   1HB   GLU 146          HB2       GLU 146  23.030   2.694  -4.091
 1147   2HB   GLU 146          HB3       GLU 146  23.540   2.500  -2.412
 1148   1HG   GLU 146          HG2       GLU 146  21.686   3.947  -1.689
 1149   2HG   GLU 146          HG3       GLU 146  21.132   4.121  -3.352
 1150    H    THR 147           H        THR 147  23.655   6.977  -2.786
 1151    HA   THR 147           HA       THR 147  22.833   7.659  -5.529
 1152    HB   THR 147           HB       THR 147  21.271   8.779  -3.202
 1153    HG1  THR 147           HG1      THR 147  20.926   6.654  -2.925
 1154   1HG2  THR 147          HG21      THR 147  20.674   8.142  -6.119
 1155   2HG2  THR 147          HG22      THR 147  19.579   8.999  -5.002
 1156   3HG2  THR 147          HG23      THR 147  21.129   9.736  -5.487
 1157    H    GLU 148           H        GLU 148  25.284   7.989  -4.573
 1158    HA   GLU 148           HA       GLU 148  25.681  10.884  -4.558
 1159   1HB   GLU 148          HB2       GLU 148  25.700  10.334  -2.156
 1160   2HB   GLU 148          HB3       GLU 148  26.846   9.013  -2.437
 1161   1HG   GLU 148          HG2       GLU 148  28.547  10.614  -3.202
 1162   2HG   GLU 148          HG3       GLU 148  27.400  11.945  -3.032
  Start of MODEL    5
    1   1H    MET   1           H1       MET   1   1.914  -1.956  -1.652
    2   2H    MET   1           H2       MET   1   2.789  -1.446  -0.376
    3   3H    MET   1           H3       MET   1   1.678  -0.445  -1.065
    4    HA   MET   1           HA       MET   1   2.949  -0.371  -3.114
    5   1HB   MET   1          HB2       MET   1   4.630   0.309  -0.654
    6   2HB   MET   1          HB3       MET   1   5.011   0.826  -2.293
    7   1HG   MET   1          HG2       MET   1   2.486   1.618  -0.809
    8   2HG   MET   1          HG3       MET   1   3.947   2.578  -0.888
    9   1HE   MET   1          HE1       MET   1   3.867   4.409  -4.170
   10   2HE   MET   1          HE2       MET   1   4.239   4.469  -2.436
   11   3HE   MET   1          HE3       MET   1   5.047   3.280  -3.471
   12    H    LYS   2           H        LYS   2   5.007  -0.841  -4.188
   13    HA   LYS   2           HA       LYS   2   6.630  -3.038  -3.075
   14   1HB   LYS   2          HB2       LYS   2   6.810  -4.179  -5.130
   15   2HB   LYS   2          HB3       LYS   2   5.124  -4.112  -4.631
   16   1HG   LYS   2          HG2       LYS   2   4.724  -2.267  -6.280
   17   2HG   LYS   2          HG3       LYS   2   6.428  -2.394  -6.796
   18   1HD   LYS   2          HD2       LYS   2   6.082  -4.767  -7.355
   19   2HD   LYS   2          HD3       LYS   2   4.384  -4.642  -6.850
   20   1HE   LYS   2          HE2       LYS   2   3.998  -2.904  -8.602
   21   2HE   LYS   2          HE3       LYS   2   5.687  -3.040  -9.108
   22   1HZ   LYS   2          HZ1       LYS   2   5.244  -5.344  -9.733
   23   2HZ   LYS   2          HZ2       LYS   2   3.681  -5.217  -9.266
   24   3HZ   LYS   2          HZ3       LYS   2   4.233  -4.341 -10.523
   25    H    LEU   3           H        LEU   3   8.797  -3.014  -4.259
   26    HA   LEU   3           HA       LEU   3   9.735  -0.242  -4.218
   27   1HB   LEU   3          HB2       LEU   3  11.276  -2.813  -4.757
   28   2HB   LEU   3          HB3       LEU   3  11.964  -1.220  -4.434
   29    HG   LEU   3           HG       LEU   3  10.398  -2.970  -2.497
   30   1HD1  LEU   3          HD11      LEU   3  13.253  -1.922  -2.454
   31   2HD1  LEU   3          HD12      LEU   3  12.486  -2.925  -1.202
   32   3HD1  LEU   3          HD13      LEU   3  12.746  -3.582  -2.825
   33   1HD2  LEU   3          HD21      LEU   3  10.817  -1.174  -0.800
   34   2HD2  LEU   3          HD22      LEU   3  11.333  -0.097  -2.124
   35   3HD2  LEU   3          HD23      LEU   3   9.663  -0.708  -2.049
   36    H    ARG   4           H        ARG   4  11.229   0.561  -5.854
   37    HA   ARG   4           HA       ARG   4  11.579   1.417  -7.876
   38   1HB   ARG   4          HB2       ARG   4  10.797  -1.271  -9.061
   39   2HB   ARG   4          HB3       ARG   4  11.751  -0.005  -9.826
   40   1HG   ARG   4          HG2       ARG   4  13.503  -0.262  -8.066
   41   2HG   ARG   4          HG3       ARG   4  12.592  -1.605  -7.362
   42   1HD   ARG   4          HD2       ARG   4  13.669  -1.518 -10.213
   43   2HD   ARG   4          HD3       ARG   4  14.450  -2.339  -8.850
   44    HE   ARG   4           HE       ARG   4  11.855  -3.352  -8.941
   45   1HH1  ARG   4          HH21      ARG   4  14.673  -3.330 -11.098
   46   2HH1  ARG   4          HH22      ARG   4  14.273  -4.817 -11.875
   47   1HH2  ARG   4          HH11      ARG   4  11.315  -5.337  -9.978
   48   2HH2  ARG   4          HH12      ARG   4  12.321  -5.981 -11.216
   49    H    GLN   5           H        GLN   5   8.759   1.390  -6.634
   50    HA   GLN   5           HA       GLN   5   7.115   1.930  -9.046
   51   1HB   GLN   5          HB2       GLN   5   6.655   2.292  -6.046
   52   2HB   GLN   5          HB3       GLN   5   5.546   2.887  -7.278
   53   1HG   GLN   5          HG2       GLN   5   5.329   0.538  -8.187
   54   2HG   GLN   5          HG3       GLN   5   6.348  -0.027  -6.845
   55   1HE2  GLN   5          HE22      GLN   5   5.618   1.127  -4.684
   56   2HE2  GLN   5          HE21      GLN   5   3.882   1.380  -4.435
   57    HA   PRO   6           HA       PRO   6   8.484   6.232  -8.679
   58   1HB   PRO   6          HB2       PRO   6   6.841   7.492 -10.388
   59   2HB   PRO   6          HB3       PRO   6   8.110   6.348 -10.939
   60   1HG   PRO   6          HG2       PRO   6   5.143   5.795 -10.556
   61   2HG   PRO   6          HG3       PRO   6   6.168   5.378 -11.965
   62   1HD   PRO   6          HD2       PRO   6   5.605   3.626  -9.878
   63   2HD   PRO   6          HD3       PRO   6   7.108   3.546 -10.851
   64    H    MET   7           H        MET   7   7.809   7.989  -7.444
   65    HA   MET   7           HA       MET   7   5.892   8.128  -5.546
   66   1HB   MET   7          HB2       MET   7   6.905  10.357  -7.314
   67   2HB   MET   7          HB3       MET   7   5.841  10.624  -5.914
   68   1HG   MET   7          HG2       MET   7   7.436   9.403  -4.476
   69   2HG   MET   7          HG3       MET   7   8.528   9.224  -5.852
   70   1HE   MET   7          HE1       MET   7  10.323   9.979  -4.529
   71   2HE   MET   7          HE2       MET   7  10.430  11.483  -3.565
   72   3HE   MET   7          HE3       MET   7   9.260  10.189  -3.134
   73    HA   PRO   8           HA       PRO   8   2.141   8.361  -8.162
   74   1HB   PRO   8          HB2       PRO   8   0.302   7.425  -6.451
   75   2HB   PRO   8          HB3       PRO   8   1.697   6.419  -6.918
   76   1HG   PRO   8          HG2       PRO   8   1.434   8.149  -4.433
   77   2HG   PRO   8          HG3       PRO   8   1.858   6.409  -4.519
   78   1HD   PRO   8          HD2       PRO   8   3.788   8.379  -4.437
   79   2HD   PRO   8          HD3       PRO   8   4.008   6.838  -5.313
   80    H    GLU   9           H        GLU   9  -0.263   9.003  -6.369
   81    HA   GLU   9           HA       GLU   9  -0.546  11.742  -7.192
   82   1HB   GLU   9          HB2       GLU   9  -2.305   9.662  -5.844
   83   2HB   GLU   9          HB3       GLU   9  -2.906  11.255  -6.375
   84   1HG   GLU   9          HG2       GLU   9  -1.601   9.213  -8.195
   85   2HG   GLU   9          HG3       GLU   9  -3.340   9.333  -7.927
   86    H    LEU  10           H        LEU  10   1.285  12.268  -5.615
   87    HA   LEU  10           HA       LEU  10   0.565  12.636  -2.818
   88   1HB   LEU  10          HB2       LEU  10   2.847  13.937  -4.360
   89   2HB   LEU  10          HB3       LEU  10   2.699  13.713  -2.618
   90    HG   LEU  10           HG       LEU  10   3.235  11.625  -4.762
   91   1HD1  LEU  10          HD11      LEU  10   5.158  12.901  -4.020
   92   2HD1  LEU  10          HD12      LEU  10   4.810  12.499  -2.323
   93   3HD1  LEU  10          HD13      LEU  10   5.282  11.226  -3.472
   94   1HD2  LEU  10          HD21      LEU  10   2.482  11.121  -1.865
   95   2HD2  LEU  10          HD22      LEU  10   1.704  10.470  -3.339
   96   3HD2  LEU  10          HD23      LEU  10   3.326   9.940  -2.887
   97    H    THR  11           H        THR  11  -1.592  13.677  -3.401
   98    HA   THR  11           HA       THR  11  -1.361  16.584  -3.669
   99    HB   THR  11           HB       THR  11  -1.172  15.583  -5.989
  100    HG1  THR  11           HG1      THR  11  -2.447  17.142  -6.829
  101   1HG2  THR  11          HG21      THR  11  -4.115  14.866  -5.666
  102   2HG2  THR  11          HG22      THR  11  -3.119  14.723  -7.129
  103   3HG2  THR  11          HG23      THR  11  -2.781  13.698  -5.730
  104    H    GLY  12           H        GLY  12  -3.295  17.679  -3.118
  105   1HA   GLY  12          HA2       GLY  12  -5.811  16.766  -2.460
  106   2HA   GLY  12          HA3       GLY  12  -4.806  16.394  -1.058
  107    H    GLU  13           H        GLU  13  -6.342  18.091  -0.060
  108    HA   GLU  13           HA       GLU  13  -5.305  20.862  -0.516
  109   1HB   GLU  13          HB2       GLU  13  -7.315  20.244  -1.885
  110   2HB   GLU  13          HB3       GLU  13  -8.209  19.952  -0.392
  111   1HG   GLU  13          HG2       GLU  13  -7.997  22.324   0.230
  112   2HG   GLU  13          HG3       GLU  13  -6.932  22.620  -1.150
  113    H    LYS  14           H        LYS  14  -6.739  18.609   1.883
  114    HA   LYS  14           HA       LYS  14  -7.825  20.424   3.625
  115   1HB   LYS  14          HB2       LYS  14  -8.037  17.998   3.835
  116   2HB   LYS  14          HB3       LYS  14  -6.390  17.910   4.501
  117   1HG   LYS  14          HG2       LYS  14  -6.991  19.088   6.479
  118   2HG   LYS  14          HG3       LYS  14  -8.598  19.490   5.834
  119   1HD   LYS  14          HD2       LYS  14  -9.284  17.172   5.867
  120   2HD   LYS  14          HD3       LYS  14  -7.640  16.621   6.255
  121   1HE   LYS  14          HE2       LYS  14  -7.714  17.686   8.430
  122   2HE   LYS  14          HE3       LYS  14  -9.270  18.455   8.065
  123   1HZ   LYS  14          HZ1       LYS  14 -10.304  16.293   8.060
  124   2HZ   LYS  14          HZ2       LYS  14  -8.873  15.525   8.280
  125   3HZ   LYS  14          HZ3       LYS  14  -9.487  16.464   9.469
  126    H    ALA  15           H        ALA  15  -4.306  19.472   3.837
  127    HA   ALA  15           HA       ALA  15  -3.779  22.161   4.754
  128   1HB   ALA  15          HB1       ALA  15  -3.120  19.890   6.701
  129   2HB   ALA  15          HB2       ALA  15  -2.649  21.582   6.878
  130   3HB   ALA  15          HB3       ALA  15  -4.348  21.144   6.949
  131    H    TRP  16           H        TRP  16  -1.580  22.662   4.759
  132    HA   TRP  16           HA       TRP  16   0.415  20.788   3.689
  133   1HB   TRP  16          HB2       TRP  16   0.942  22.856   2.070
  134   2HB   TRP  16          HB3       TRP  16   0.004  21.448   1.627
  135    HD1  TRP  16           HD1      TRP  16  -1.592  22.291  -0.074
  136    HE1  TRP  16           HE1      TRP  16  -3.372  24.094  -0.260
  137    HE3  TRP  16           HE3      TRP  16  -0.724  24.728   4.362
  138    HZ2  TRP  16           HZ2      TRP  16  -4.382  26.288   1.362
  139    HZ3  TRP  16           HZ3      TRP  16  -2.130  26.656   5.017
  140    HH2  TRP  16           HH2      TRP  16  -3.959  27.445   3.530
  141    H    LEU  17           H        LEU  17   0.526  21.259   6.083
  142    HA   LEU  17           HA       LEU  17   1.203  23.839   7.134
  143   1HB   LEU  17          HB2       LEU  17   1.863  21.115   8.309
  144   2HB   LEU  17          HB3       LEU  17   1.746  22.636   9.174
  145    HG   LEU  17           HG       LEU  17  -0.555  21.127   7.844
  146   1HD1  LEU  17          HD11      LEU  17  -1.268  20.717  10.192
  147   2HD1  LEU  17          HD12      LEU  17   0.271  19.950   9.758
  148   3HD1  LEU  17          HD13      LEU  17   0.273  21.424  10.738
  149   1HD2  LEU  17          HD21      LEU  17  -0.606  23.678   9.516
  150   2HD2  LEU  17          HD22      LEU  17  -1.069  23.515   7.813
  151   3HD2  LEU  17          HD23      LEU  17  -2.031  22.726   9.069
  152    H    ASN  18           H        ASN  18   3.117  24.795   7.244
  153    HA   ASN  18           HA       ASN  18   5.272  25.382   7.117
  154   1HB   ASN  18          HB2       ASN  18   6.000  22.491   6.771
  155   2HB   ASN  18          HB3       ASN  18   7.132  23.815   6.890
  156   1HD2  ASN  18          HD22      ASN  18   6.623  21.399   8.586
  157   2HD2  ASN  18          HD21      ASN  18   6.644  22.053  10.226
  158    H    GLY  19           H        GLY  19   4.021  23.056   4.750
  159   1HA   GLY  19          HA2       GLY  19   4.223  24.705   2.520
  160   2HA   GLY  19          HA3       GLY  19   5.772  23.852   2.574
  161    H    GLU  20           H        GLU  20   4.729  23.242   0.386
  162    HA   GLU  20           HA       GLU  20   3.477  20.590   0.592
  163   1HB   GLU  20          HB2       GLU  20   1.681  22.272   0.149
  164   2HB   GLU  20          HB3       GLU  20   2.621  22.962  -1.156
  165   1HG   GLU  20          HG2       GLU  20   0.805  21.636  -2.002
  166   2HG   GLU  20          HG3       GLU  20   2.345  20.927  -2.475
  167    H    VAL  21           H        VAL  21   3.956  19.327  -1.374
  168    HA   VAL  21           HA       VAL  21   5.903  20.377  -3.270
  169    HB   VAL  21           HB       VAL  21   6.829  17.834  -2.007
  170   1HG1  VAL  21          HG11      VAL  21   9.070  18.920  -2.470
  171   2HG1  VAL  21          HG12      VAL  21   8.042  18.799  -3.890
  172   3HG1  VAL  21          HG13      VAL  21   8.212  20.357  -3.053
  173   1HG2  VAL  21          HG21      VAL  21   8.199  18.833  -0.289
  174   2HG2  VAL  21          HG22      VAL  21   7.442  20.417  -0.550
  175   3HG2  VAL  21          HG23      VAL  21   6.489  19.041   0.077
  176    H    THR  22           H        THR  22   6.479  18.477  -4.881
  177    HA   THR  22           HA       THR  22   4.264  16.537  -5.193
  178    HB   THR  22           HB       THR  22   4.309  17.261  -7.664
  179    HG1  THR  22           HG1      THR  22   5.108  19.267  -8.107
  180   1HG2  THR  22          HG21      THR  22   2.757  19.066  -7.396
  181   2HG2  THR  22          HG22      THR  22   2.447  17.836  -6.152
  182   3HG2  THR  22          HG23      THR  22   3.294  19.349  -5.721
  183    H    ARG  23           H        ARG  23   4.799  15.004  -6.980
  184    HA   ARG  23           HA       ARG  23   7.444  13.957  -6.913
  185   1HB   ARG  23          HB2       ARG  23   6.601  12.372  -8.546
  186   2HB   ARG  23          HB3       ARG  23   5.412  12.613  -7.266
  187   1HG   ARG  23          HG2       ARG  23   4.061  14.054  -8.756
  188   2HG   ARG  23          HG3       ARG  23   5.287  13.915 -10.032
  189   1HD   ARG  23          HD2       ARG  23   4.936  11.461 -10.099
  190   2HD   ARG  23          HD3       ARG  23   3.707  11.602  -8.845
  191    HE   ARG  23           HE       ARG  23   3.565  12.691 -11.628
  192   1HH1  ARG  23          HH21      ARG  23   1.810  11.657  -8.689
  193   2HH1  ARG  23          HH22      ARG  23   0.249  11.723  -9.480
  194   1HH2  ARG  23          HH11      ARG  23   1.466  12.802 -12.587
  195   2HH2  ARG  23          HH12      ARG  23   0.070  12.399 -11.652
  196    H    GLU  24           H        GLU  24   6.820  16.846  -8.232
  197    HA   GLU  24           HA       GLU  24   9.056  16.413 -10.159
  198   1HB   GLU  24          HB2       GLU  24   8.053  18.071 -11.665
  199   2HB   GLU  24          HB3       GLU  24   6.938  16.729 -11.390
  200   1HG   GLU  24          HG2       GLU  24   5.638  18.065  -9.795
  201   2HG   GLU  24          HG3       GLU  24   6.771  19.402  -9.929
  202    H    GLN  25           H        GLN  25   8.407  17.596  -7.241
  203    HA   GLN  25           HA       GLN  25  10.420  19.794  -7.490
  204   1HB   GLN  25          HB2       GLN  25   7.872  19.712  -5.838
  205   2HB   GLN  25          HB3       GLN  25   9.188  20.860  -5.548
  206   1HG   GLN  25          HG2       GLN  25   8.875  21.779  -7.827
  207   2HG   GLN  25          HG3       GLN  25   7.563  20.628  -8.114
  208   1HE2  GLN  25          HE22      GLN  25   5.676  20.702  -6.528
  209   2HE2  GLN  25          HE21      GLN  25   5.211  22.276  -5.903
  210    H    LEU  26           H        LEU  26   9.098  17.024  -5.661
  211    HA   LEU  26           HA       LEU  26  11.086  17.050  -3.558
  212   1HB   LEU  26          HB2       LEU  26   9.232  14.962  -4.804
  213   2HB   LEU  26          HB3       LEU  26  10.397  14.509  -3.565
  214    HG   LEU  26           HG       LEU  26   8.234  16.582  -3.190
  215   1HD1  LEU  26          HD11      LEU  26   7.280  14.355  -3.552
  216   2HD1  LEU  26          HD12      LEU  26   8.288  13.695  -2.252
  217   3HD1  LEU  26          HD13      LEU  26   7.033  14.904  -1.890
  218   1HD2  LEU  26          HD21      LEU  26  10.107  15.234  -1.186
  219   2HD2  LEU  26          HD22      LEU  26  10.145  16.937  -1.646
  220   3HD2  LEU  26          HD23      LEU  26   8.757  16.310  -0.759
  221    H    ILE  27           H        ILE  27  11.162  16.152  -6.945
  222    HA   ILE  27           HA       ILE  27  13.733  14.730  -6.543
  223    HB   ILE  27           HB       ILE  27  12.670  13.197  -8.420
  224   1HG1  ILE  27          HG12      ILE  27  10.129  13.905  -6.897
  225   2HG1  ILE  27          HG13      ILE  27  10.501  14.328  -8.576
  226   1HG2  ILE  27          HG21      ILE  27  13.577  12.611  -6.091
  227   2HG2  ILE  27          HG22      ILE  27  11.900  12.700  -5.515
  228   3HG2  ILE  27          HG23      ILE  27  12.393  11.520  -6.760
  229   1HD1  ILE  27          HD11      ILE  27   9.072  12.331  -8.480
  230   2HD1  ILE  27          HD12      ILE  27  10.673  11.895  -9.104
  231   3HD1  ILE  27          HD13      ILE  27  10.215  11.532  -7.420
  232    H    GLY  28           H        GLY  28  14.668  14.062  -8.676
  233   1HA   GLY  28          HA2       GLY  28  15.189  14.750 -10.923
  234   2HA   GLY  28          HA3       GLY  28  14.719  16.411 -10.516
  235    H    GLU  29           H        GLU  29  16.277  15.330  -7.761
  236    HA   GLU  29           HA       GLU  29  18.993  16.026  -8.694
  237   1HB   GLU  29          HB2       GLU  29  17.509  18.124  -8.369
  238   2HB   GLU  29          HB3       GLU  29  17.455  17.716  -6.663
  239   1HG   GLU  29          HG2       GLU  29  19.151  19.385  -6.961
  240   2HG   GLU  29          HG3       GLU  29  19.983  17.881  -6.599
  241    H    LYS  30           H        LYS  30  16.957  15.594  -5.693
  242    HA   LYS  30           HA       LYS  30  19.202  14.037  -4.490
  243   1HB   LYS  30          HB2       LYS  30  17.455  16.235  -3.273
  244   2HB   LYS  30          HB3       LYS  30  18.419  15.135  -2.292
  245   1HG   LYS  30          HG2       LYS  30  20.484  15.937  -3.285
  246   2HG   LYS  30          HG3       LYS  30  19.580  16.957  -4.429
  247   1HD   LYS  30          HD2       LYS  30  18.721  18.353  -2.659
  248   2HD   LYS  30          HD3       LYS  30  19.308  17.246  -1.415
  249   1HE   LYS  30          HE2       LYS  30  20.770  19.132  -1.439
  250   2HE   LYS  30          HE3       LYS  30  21.653  17.735  -2.041
  251   1HZ   LYS  30          HZ1       LYS  30  22.053  19.731  -3.360
  252   2HZ   LYS  30          HZ2       LYS  30  21.360  18.593  -4.293
  253   3HZ   LYS  30          HZ3       LYS  30  20.479  19.865  -3.746
  254    HA   PRO  31           HA       PRO  31  16.051  11.036  -3.601
  255   1HB   PRO  31          HB2       PRO  31  17.021   9.823  -1.338
  256   2HB   PRO  31          HB3       PRO  31  17.721   9.603  -2.967
  257   1HG   PRO  31          HG2       PRO  31  18.649  11.461  -0.769
  258   2HG   PRO  31          HG3       PRO  31  19.637  10.359  -1.778
  259   1HD   PRO  31          HD2       PRO  31  19.389  13.017  -2.326
  260   2HD   PRO  31          HD3       PRO  31  19.513  11.809  -3.628
  261    H    THR  32           H        THR  32  14.615  10.288  -1.704
  262    HA   THR  32           HA       THR  32  13.766  12.663  -0.088
  263    HB   THR  32           HB       THR  32  12.068  11.061  -2.037
  264    HG1  THR  32           HG1      THR  32  13.351  12.563  -3.089
  265   1HG2  THR  32          HG21      THR  32  10.577  11.716  -0.281
  266   2HG2  THR  32          HG22      THR  32  11.288  13.341  -0.180
  267   3HG2  THR  32          HG23      THR  32  10.343  12.850  -1.604
  268    H    LEU  33           H        LEU  33  12.467  12.258   1.667
  269    HA   LEU  33           HA       LEU  33  11.867   9.453   2.462
  270   1HB   LEU  33          HB2       LEU  33  13.538  10.345   3.966
  271   2HB   LEU  33          HB3       LEU  33  12.705  11.888   4.098
  272    HG   LEU  33           HG       LEU  33  12.603  10.325   6.064
  273   1HD1  LEU  33          HD11      LEU  33  10.534  10.973   6.875
  274   2HD1  LEU  33          HD12      LEU  33  11.063  12.269   5.798
  275   3HD1  LEU  33          HD13      LEU  33   9.819  11.126   5.268
  276   1HD2  LEU  33          HD21      LEU  33  11.083   8.545   6.253
  277   2HD2  LEU  33          HD22      LEU  33  10.492   8.761   4.611
  278   3HD2  LEU  33          HD23      LEU  33  12.156   8.218   4.875
  279    H    ILE  34           H        ILE  34   9.671   9.173   2.518
  280    HA   ILE  34           HA       ILE  34   7.933  11.521   3.122
  281    HB   ILE  34           HB       ILE  34   7.099   9.029   1.609
  282   1HG1  ILE  34          HG12      ILE  34   7.848  11.752   0.432
  283   2HG1  ILE  34          HG13      ILE  34   8.697  10.232   0.177
  284   1HG2  ILE  34          HG21      ILE  34   5.723  11.740   1.975
  285   2HG2  ILE  34          HG22      ILE  34   5.040  10.314   1.162
  286   3HG2  ILE  34          HG23      ILE  34   5.331  10.267   2.888
  287   1HD1  ILE  34          HD11      ILE  34   5.941  10.962  -0.830
  288   2HD1  ILE  34          HD12      ILE  34   7.406  10.606  -1.762
  289   3HD1  ILE  34          HD13      ILE  34   6.596   9.308  -0.857
  290    H    HIS  35           H        HIS  35   6.776  11.168   5.099
  291    HA   HIS  35           HA       HIS  35   6.587   8.343   5.999
  292   1HB   HIS  35          HB2       HIS  35   7.416   8.684   8.093
  293   2HB   HIS  35          HB3       HIS  35   8.537   9.575   7.100
  294    HD1  HIS  35           HD1      HIS  35   6.204   9.926  10.008
  295    HD2  HIS  35           HD2      HIS  35   8.345  12.373   7.335
  296    HE1  HIS  35           HE1      HIS  35   6.302  12.236  11.070
  297    H    PHE  36           H        PHE  36   5.012   7.952   7.651
  298    HA   PHE  36           HA       PHE  36   2.516   9.497   7.213
  299   1HB   PHE  36          HB2       PHE  36   3.008   6.514   7.261
  300   2HB   PHE  36          HB3       PHE  36   1.421   7.247   7.394
  301    HD1  PHE  36           HD1      PHE  36   4.377   6.910   5.119
  302    HD2  PHE  36           HD2      PHE  36   0.210   7.979   5.467
  303    HE1  PHE  36           HE1      PHE  36   4.189   7.002   2.645
  304    HE2  PHE  36           HE2      PHE  36   0.026   8.042   2.994
  305    HZ   PHE  36           HZ       PHE  36   2.019   7.555   1.581
  306    H    TRP  37           H        TRP  37   1.628  10.120   9.226
  307    HA   TRP  37           HA       TRP  37   2.273   8.564  11.676
  308   1HB   TRP  37          HB2       TRP  37   3.247  10.512  12.789
  309   2HB   TRP  37          HB3       TRP  37   4.227   9.921  11.460
  310    HD1  TRP  37           HD1      TRP  37   3.747  11.286   9.051
  311    HE1  TRP  37           HE1      TRP  37   3.397  13.802   8.647
  312    HE3  TRP  37           HE3      TRP  37   2.850  12.772  13.865
  313    HZ2  TRP  37           HZ2      TRP  37   2.902  16.160  10.231
  314    HZ3  TRP  37           HZ3      TRP  37   2.568  15.174  14.390
  315    HH2  TRP  37           HH2      TRP  37   2.528  16.873  12.586
  316    H    SER  38           H        SER  38   1.153   9.542  13.627
  317    HA   SER  38           HA       SER  38  -1.276  11.129  13.020
  318   1HB   SER  38          HB2       SER  38  -1.109   8.422  14.394
  319   2HB   SER  38          HB3       SER  38  -2.533   9.488  14.443
  320    HG   SER  38           HG       SER  38  -2.673   9.306  12.168
  321    H    ILE  39           H        ILE  39  -1.601  12.677  14.735
  322    HA   ILE  39           HA       ILE  39   0.389  12.743  16.825
  323    HB   ILE  39           HB       ILE  39  -0.620  14.675  17.703
  324   1HG1  ILE  39          HG12      ILE  39  -2.937  14.606  15.760
  325   2HG1  ILE  39          HG13      ILE  39  -3.071  13.965  17.407
  326   1HG2  ILE  39          HG21      ILE  39  -0.276  16.195  15.948
  327   2HG2  ILE  39          HG22      ILE  39   0.684  14.778  15.515
  328   3HG2  ILE  39          HG23      ILE  39  -0.894  15.101  14.733
  329   1HD1  ILE  39          HD11      ILE  39  -3.882  16.236  17.324
  330   2HD1  ILE  39          HD12      ILE  39  -2.437  16.128  18.343
  331   3HD1  ILE  39          HD13      ILE  39  -2.336  16.825  16.701
  332    H    SER  40           H        SER  40  -1.647  10.395  16.740
  333    HA   SER  40           HA       SER  40  -2.667  10.617  19.515
  334   1HB   SER  40          HB2       SER  40  -4.568   9.256  18.638
  335   2HB   SER  40          HB3       SER  40  -4.396  10.838  17.863
  336    HG   SER  40           HG       SER  40  -4.524   9.696  16.131
  337    H    CYS  41           H        CYS  41  -0.142   9.170  18.007
  338    HA   CYS  41           HA       CYS  41  -0.514   6.522  19.360
  339   1HB   CYS  41          HB2       CYS  41   0.899   7.164  16.738
  340   2HB   CYS  41          HB3       CYS  41   0.788   5.562  17.490
  341    HG   CYS  41           HG       CYS  41  -1.821   5.408  17.421
  342    H    HIS  42           H        HIS  42   1.147   5.927  20.707
  343    HA   HIS  42           HA       HIS  42   2.995   7.819  21.605
  344   1HB   HIS  42          HB2       HIS  42   3.227   4.798  21.866
  345   2HB   HIS  42          HB3       HIS  42   3.988   6.003  22.899
  346    HD1  HIS  42           HD1      HIS  42   1.927   7.695  24.168
  347    HD2  HIS  42           HD2      HIS  42   1.063   3.788  22.846
  348    HE1  HIS  42           HE1      HIS  42  -0.184   6.978  25.392
  349    H    LEU  43           H        LEU  43   3.511   5.181  19.248
  350    HA   LEU  43           HA       LEU  43   6.353   5.575  19.058
  351   1HB   LEU  43          HB2       LEU  43   4.328   4.303  17.160
  352   2HB   LEU  43          HB3       LEU  43   6.027   4.501  16.739
  353    HG   LEU  43           HG       LEU  43   6.712   3.182  18.713
  354   1HD1  LEU  43          HD11      LEU  43   3.730   2.662  19.050
  355   2HD1  LEU  43          HD12      LEU  43   5.021   1.701  19.804
  356   3HD1  LEU  43          HD13      LEU  43   4.846   3.400  20.230
  357   1HD2  LEU  43          HD21      LEU  43   6.060   1.007  17.718
  358   2HD2  LEU  43          HD22      LEU  43   4.805   1.822  16.755
  359   3HD2  LEU  43          HD23      LEU  43   6.531   2.176  16.488
  360    H    CYS  44           H        CYS  44   3.590   7.190  17.488
  361    HA   CYS  44           HA       CYS  44   5.213   8.686  15.600
  362   1HB   CYS  44          HB2       CYS  44   2.466   9.312  16.757
  363   2HB   CYS  44          HB3       CYS  44   3.274  10.213  15.478
  364    HG   CYS  44           HG       CYS  44   2.630   6.961  15.456
  365    H    LYS  45           H        LYS  45   4.118   9.219  19.015
  366    HA   LYS  45           HA       LYS  45   5.231  11.846  19.159
  367   1HB   LYS  45          HB2       LYS  45   5.048   9.902  21.486
  368   2HB   LYS  45          HB3       LYS  45   5.146  11.659  21.535
  369   1HG   LYS  45          HG2       LYS  45   2.758   9.990  20.712
  370   2HG   LYS  45          HG3       LYS  45   2.911  11.117  22.049
  371   1HD   LYS  45          HD2       LYS  45   3.188  12.981  20.295
  372   2HD   LYS  45          HD3       LYS  45   2.788  11.768  19.071
  373   1HE   LYS  45          HE2       LYS  45   0.774  12.978  19.563
  374   2HE   LYS  45          HE3       LYS  45   0.591  11.355  20.208
  375   1HZ   LYS  45          HZ1       LYS  45   1.289  13.762  21.802
  376   2HZ   LYS  45          HZ2       LYS  45  -0.174  13.050  21.741
  377   3HZ   LYS  45          HZ3       LYS  45   1.079  12.259  22.419
  378    H    GLU  46           H        GLU  46   6.865   8.718  19.305
  379    HA   GLU  46           HA       GLU  46   9.343   9.944  20.349
  380   1HB   GLU  46          HB2       GLU  46   8.665   7.174  19.266
  381   2HB   GLU  46          HB3       GLU  46  10.204   7.611  20.009
  382   1HG   GLU  46          HG2       GLU  46   7.526   7.887  21.474
  383   2HG   GLU  46          HG3       GLU  46   8.474   6.407  21.475
  384    H    ALA  47           H        ALA  47   8.070   8.666  17.246
  385    HA   ALA  47           HA       ALA  47  10.437   9.186  15.720
  386   1HB   ALA  47          HB1       ALA  47   8.578   7.722  14.911
  387   2HB   ALA  47          HB2       ALA  47   7.507   9.143  14.835
  388   3HB   ALA  47          HB3       ALA  47   8.924   9.041  13.770
  389    H    MET  48           H        MET  48   7.671  11.248  16.690
  390    HA   MET  48           HA       MET  48   8.103  13.325  14.999
  391   1HB   MET  48          HB2       MET  48   6.966  13.100  17.784
  392   2HB   MET  48          HB3       MET  48   7.213  14.710  17.119
  393   1HG   MET  48          HG2       MET  48   5.706  12.582  15.566
  394   2HG   MET  48          HG3       MET  48   4.942  13.599  16.781
  395   1HE   MET  48          HE1       MET  48   6.263  13.156  13.302
  396   2HE   MET  48          HE2       MET  48   5.912  14.694  12.483
  397   3HE   MET  48          HE3       MET  48   7.403  14.536  13.423
  398    HA   PRO  49           HA       PRO  49  11.354  15.548  17.696
  399   1HB   PRO  49          HB2       PRO  49  12.766  13.906  19.498
  400   2HB   PRO  49          HB3       PRO  49  11.539  15.146  19.910
  401   1HG   PRO  49          HG2       PRO  49  11.249  12.176  19.693
  402   2HG   PRO  49          HG3       PRO  49  10.424  13.297  20.812
  403   1HD   PRO  49          HD2       PRO  49   9.208  12.271  18.586
  404   2HD   PRO  49          HD3       PRO  49   8.838  13.906  19.201
  405    H    GLN  50           H        GLN  50  11.809  11.981  16.946
  406    HA   GLN  50           HA       GLN  50  14.522  12.599  16.189
  407   1HB   GLN  50          HB2       GLN  50  13.438  10.265  16.771
  408   2HB   GLN  50          HB3       GLN  50  13.265  10.159  15.015
  409   1HG   GLN  50          HG2       GLN  50  15.905  11.051  16.269
  410   2HG   GLN  50          HG3       GLN  50  15.466   9.348  16.314
  411   1HE2  GLN  50          HE22      GLN  50  14.728   8.450  14.072
  412   2HE2  GLN  50          HE21      GLN  50  15.822   8.824  12.745
  413    H    VAL  51           H        VAL  51  11.480  12.675  14.410
  414    HA   VAL  51           HA       VAL  51  12.528  13.063  11.797
  415    HB   VAL  51           HB       VAL  51   9.924  13.967  13.089
  416   1HG1  VAL  51          HG11      VAL  51  10.402  15.480  11.191
  417   2HG1  VAL  51          HG12      VAL  51  10.625  14.075  10.135
  418   3HG1  VAL  51          HG13      VAL  51   9.047  14.387  10.894
  419   1HG2  VAL  51          HG21      VAL  51  10.361  11.432  12.624
  420   2HG2  VAL  51          HG22      VAL  51   8.897  12.151  11.939
  421   3HG2  VAL  51          HG23      VAL  51  10.322  11.863  10.923
  422    H    ASN  52           H        ASN  52  12.109  15.331  14.637
  423    HA   ASN  52           HA       ASN  52  12.796  17.646  13.131
  424   1HB   ASN  52          HB2       ASN  52  12.376  18.626  15.027
  425   2HB   ASN  52          HB3       ASN  52  12.203  17.090  15.846
  426   1HD2  ASN  52          HD22      ASN  52  14.101  16.242  17.067
  427   2HD2  ASN  52          HD21      ASN  52  15.354  17.356  17.577
  428    H    GLU  53           H        GLU  53  14.972  15.317  14.906
  429    HA   GLU  53           HA       GLU  53  17.237  16.970  14.068
  430   1HB   GLU  53          HB2       GLU  53  18.683  15.296  15.033
  431   2HB   GLU  53          HB3       GLU  53  17.454  15.861  16.161
  432   1HG   GLU  53          HG2       GLU  53  16.207  13.828  15.970
  433   2HG   GLU  53          HG3       GLU  53  17.189  13.265  14.613
  434    H    PHE  54           H        PHE  54  15.571  14.123  12.725
  435    HA   PHE  54           HA       PHE  54  17.541  13.341  10.819
  436   1HB   PHE  54          HB2       PHE  54  15.663  11.928  11.477
  437   2HB   PHE  54          HB3       PHE  54  14.512  13.156  10.960
  438    HD1  PHE  54           HD1      PHE  54  16.826  10.535   9.841
  439    HD2  PHE  54           HD2      PHE  54  14.037  13.582   8.612
  440    HE1  PHE  54           HE1      PHE  54  16.847   9.623   7.540
  441    HE2  PHE  54           HE2      PHE  54  14.072  12.673   6.291
  442    HZ   PHE  54           HZ       PHE  54  15.484  10.729   5.745
  443    H    ARG  55           H        ARG  55  14.777  15.617  10.787
  444    HA   ARG  55           HA       ARG  55  15.055  16.498   8.178
  445   1HB   ARG  55          HB2       ARG  55  13.094  17.077   9.281
  446   2HB   ARG  55          HB3       ARG  55  13.897  17.701  10.685
  447   1HG   ARG  55          HG2       ARG  55  13.882  19.116   7.985
  448   2HG   ARG  55          HG3       ARG  55  12.690  19.365   9.251
  449   1HD   ARG  55          HD2       ARG  55  15.583  20.208   9.252
  450   2HD   ARG  55          HD3       ARG  55  14.151  21.183   9.478
  451    HE   ARG  55           HE       ARG  55  15.237  19.199  11.446
  452   1HH1  ARG  55          HH21      ARG  55  13.224  22.142  10.984
  453   2HH1  ARG  55          HH22      ARG  55  12.875  22.191  12.677
  454   1HH2  ARG  55          HH11      ARG  55  15.024  19.639  13.647
  455   2HH2  ARG  55          HH12      ARG  55  14.140  21.039  14.188
  456    H    ASP  56           H        ASP  56  16.831  17.630  11.121
  457    HA   ASP  56           HA       ASP  56  18.067  19.816   9.640
  458   1HB   ASP  56          HB2       ASP  56  17.746  19.948  12.031
  459   2HB   ASP  56          HB3       ASP  56  18.733  18.494  12.272
  460    H    LYS  57           H        LYS  57  19.012  16.524  10.680
  461    HA   LYS  57           HA       LYS  57  21.686  16.688   9.953
  462   1HB   LYS  57          HB2       LYS  57  19.785  14.333  10.170
  463   2HB   LYS  57          HB3       LYS  57  21.477  14.104   9.731
  464   1HG   LYS  57          HG2       LYS  57  22.273  15.070  11.791
  465   2HG   LYS  57          HG3       LYS  57  20.649  15.498  12.302
  466   1HD   LYS  57          HD2       LYS  57  21.732  12.663  11.949
  467   2HD   LYS  57          HD3       LYS  57  21.451  13.512  13.479
  468   1HE   LYS  57          HE2       LYS  57  19.007  13.724  12.755
  469   2HE   LYS  57          HE3       LYS  57  19.377  12.572  11.462
  470   1HZ   LYS  57          HZ1       LYS  57  20.000  10.972  13.220
  471   2HZ   LYS  57          HZ2       LYS  57  19.573  12.077  14.383
  472   3HZ   LYS  57          HZ3       LYS  57  18.447  11.461  13.394
  473    H    TYR  58           H        TYR  58  18.868  16.006   7.885
  474    HA   TYR  58           HA       TYR  58  20.747  15.583   5.617
  475   1HB   TYR  58          HB2       TYR  58  18.086  14.231   6.055
  476   2HB   TYR  58          HB3       TYR  58  19.250  13.908   4.770
  477    HD1  TYR  58           HD1      TYR  58  18.111  12.689   7.845
  478    HD2  TYR  58           HD2      TYR  58  21.782  13.470   5.723
  479    HE1  TYR  58           HE1      TYR  58  19.343  11.239   9.436
  480    HE2  TYR  58           HE2      TYR  58  23.028  12.085   7.340
  481    HH   TYR  58           HH       TYR  58  22.924  11.027   9.440
  482    H    GLN  59           H        GLN  59  18.493  17.914   6.577
  483    HA   GLN  59           HA       GLN  59  17.012  18.275   4.290
  484   1HB   GLN  59          HB2       GLN  59  16.914  20.743   4.905
  485   2HB   GLN  59          HB3       GLN  59  16.381  19.588   6.090
  486   1HG   GLN  59          HG2       GLN  59  17.652  21.436   7.098
  487   2HG   GLN  59          HG3       GLN  59  18.394  19.887   7.409
  488   1HE2  GLN  59          HE22      GLN  59  20.572  19.912   7.330
  489   2HE2  GLN  59          HE21      GLN  59  21.527  20.918   6.254
  490    H    ASP  60           H        ASP  60  20.395  18.555   4.152
  491    HA   ASP  60           HA       ASP  60  20.245  20.310   1.735
  492   1HB   ASP  60          HB2       ASP  60  21.602  21.184   3.629
  493   2HB   ASP  60          HB3       ASP  60  22.624  19.754   3.538
  494    H    GLN  61           H        GLN  61  20.103  17.157   2.436
  495    HA   GLN  61           HA       GLN  61  21.853  16.272   0.186
  496   1HB   GLN  61          HB2       GLN  61  21.478  14.744   2.777
  497   2HB   GLN  61          HB3       GLN  61  22.555  14.389   1.435
  498   1HG   GLN  61          HG2       GLN  61  24.131  15.315   2.730
  499   2HG   GLN  61          HG3       GLN  61  23.539  16.845   2.117
  500   1HE2  GLN  61          HE22      GLN  61  24.043  14.907   4.914
  501   2HE2  GLN  61          HE21      GLN  61  23.089  15.839   6.065
  502    H    LEU  62           H        LEU  62  18.767  15.996   1.921
  503    HA   LEU  62           HA       LEU  62  17.629  14.258  -0.115
  504   1HB   LEU  62          HB2       LEU  62  18.452  12.532   1.206
  505   2HB   LEU  62          HB3       LEU  62  18.293  13.404   2.707
  506    HG   LEU  62           HG       LEU  62  15.721  12.723   1.310
  507   1HD1  LEU  62          HD11      LEU  62  16.923  10.645   0.986
  508   2HD1  LEU  62          HD12      LEU  62  17.369  10.611   2.700
  509   3HD1  LEU  62          HD13      LEU  62  15.669  10.460   2.220
  510   1HD2  LEU  62          HD21      LEU  62  14.979  12.421   3.615
  511   2HD2  LEU  62          HD22      LEU  62  16.650  12.519   4.216
  512   3HD2  LEU  62          HD23      LEU  62  15.869  13.943   3.505
  513    H    ASN  63           H        ASN  63  15.336  14.325   0.058
  514    HA   ASN  63           HA       ASN  63  14.325  16.897   1.140
  515   1HB   ASN  63          HB2       ASN  63  13.052  14.831  -0.716
  516   2HB   ASN  63          HB3       ASN  63  12.304  16.340  -0.208
  517   1HD2  ASN  63          HD22      ASN  63  15.087  14.972  -1.995
  518   2HD2  ASN  63          HD21      ASN  63  15.260  16.338  -3.066
  519    H    VAL  64           H        VAL  64  12.622  16.916   2.661
  520    HA   VAL  64           HA       VAL  64  11.965  14.332   3.986
  521    HB   VAL  64           HB       VAL  64  12.428  17.022   5.376
  522   1HG1  VAL  64          HG11      VAL  64  12.541  15.667   7.406
  523   2HG1  VAL  64          HG12      VAL  64  11.029  15.353   6.547
  524   3HG1  VAL  64          HG13      VAL  64  12.338  14.174   6.460
  525   1HG2  VAL  64          HG21      VAL  64  14.604  16.129   6.171
  526   2HG2  VAL  64          HG22      VAL  64  14.419  14.723   5.104
  527   3HG2  VAL  64          HG23      VAL  64  14.620  16.357   4.435
  528    H    VAL  65           H        VAL  65   9.743  14.052   4.019
  529    HA   VAL  65           HA       VAL  65   8.009  16.373   4.298
  530    HB   VAL  65           HB       VAL  65   8.313  16.384   1.873
  531   1HG1  VAL  65          HG11      VAL  65   7.602  14.475   0.440
  532   2HG1  VAL  65          HG12      VAL  65   9.039  14.126   1.399
  533   3HG1  VAL  65          HG13      VAL  65   7.462  13.476   1.897
  534   1HG2  VAL  65          HG21      VAL  65   6.033  16.891   2.694
  535   2HG2  VAL  65          HG22      VAL  65   6.080  16.254   1.052
  536   3HG2  VAL  65          HG23      VAL  65   5.569  15.203   2.382
  537    H    ALA  66           H        ALA  66   5.831  15.699   4.843
  538    HA   ALA  66           HA       ALA  66   5.582  12.822   5.542
  539   1HB   ALA  66          HB1       ALA  66   4.758  14.987   7.484
  540   2HB   ALA  66          HB2       ALA  66   5.084  13.245   7.748
  541   3HB   ALA  66          HB3       ALA  66   6.410  14.349   7.443
  542    H    VAL  67           H        VAL  67   3.437  12.221   6.236
  543    HA   VAL  67           HA       VAL  67   1.228  13.710   4.948
  544    HB   VAL  67           HB       VAL  67   1.758  10.713   4.724
  545   1HG1  VAL  67          HG11      VAL  67  -0.360  12.503   3.440
  546   2HG1  VAL  67          HG12      VAL  67  -0.145  10.765   3.141
  547   3HG1  VAL  67          HG13      VAL  67  -0.644  11.328   4.738
  548   1HG2  VAL  67          HG21      VAL  67   2.083  11.148   2.285
  549   2HG2  VAL  67          HG22      VAL  67   2.086  12.897   2.620
  550   3HG2  VAL  67          HG23      VAL  67   3.359  11.849   3.279
  551    H    HIS  68           H        HIS  68  -0.109  14.165   6.659
  552    HA   HIS  68           HA       HIS  68   0.128  12.564   9.113
  553   1HB   HIS  68          HB2       HIS  68  -0.451  15.142   8.867
  554   2HB   HIS  68          HB3       HIS  68  -2.104  14.538   8.678
  555    HD1  HIS  68           HD1      HIS  68   0.861  14.435  11.154
  556    HD2  HIS  68           HD2      HIS  68  -3.227  13.436  10.932
  557    HE1  HIS  68           HE1      HIS  68   0.188  13.680  13.451
  558    H    MET  69           H        MET  69  -1.254  10.885   9.667
  559    HA   MET  69           HA       MET  69  -3.285  10.052   7.665
  560   1HB   MET  69          HB2       MET  69  -1.593   8.384   8.214
  561   2HB   MET  69          HB3       MET  69  -1.920   8.562   9.940
  562   1HG   MET  69          HG2       MET  69  -4.275   7.793   9.536
  563   2HG   MET  69          HG3       MET  69  -3.879   7.577   7.829
  564   1HE   MET  69          HE1       MET  69  -4.193   3.867   8.893
  565   2HE   MET  69          HE2       MET  69  -5.237   5.264   9.239
  566   3HE   MET  69          HE3       MET  69  -4.523   5.060   7.619
  567    HA   PRO  70           HA       PRO  70  -5.924  11.790  11.030
  568   1HB   PRO  70          HB2       PRO  70  -8.259  11.879   9.588
  569   2HB   PRO  70          HB3       PRO  70  -7.035  13.188   9.599
  570   1HG   PRO  70          HG2       PRO  70  -7.432  11.002   7.539
  571   2HG   PRO  70          HG3       PRO  70  -7.110  12.741   7.261
  572   1HD   PRO  70          HD2       PRO  70  -5.154  10.834   7.147
  573   2HD   PRO  70          HD3       PRO  70  -4.829  12.492   7.745
  574    H    ARG  71           H        ARG  71  -6.663  10.315  12.423
  575    HA   ARG  71           HA       ARG  71  -7.530   7.612  11.494
  576   1HB   ARG  71          HB2       ARG  71  -5.058   7.900  11.990
  577   2HB   ARG  71          HB3       ARG  71  -5.502   8.352  13.636
  578   1HG   ARG  71          HG2       ARG  71  -6.672   6.090  13.846
  579   2HG   ARG  71          HG3       ARG  71  -6.027   5.695  12.239
  580   1HD   ARG  71          HD2       ARG  71  -4.482   4.770  13.824
  581   2HD   ARG  71          HD3       ARG  71  -3.722   6.212  13.145
  582    HE   ARG  71           HE       ARG  71  -3.943   7.347  15.169
  583   1HH1  ARG  71          HH21      ARG  71  -5.491   4.153  15.461
  584   2HH1  ARG  71          HH22      ARG  71  -5.671   4.254  17.172
  585   1HH2  ARG  71          HH11      ARG  71  -4.202   7.495  17.363
  586   2HH2  ARG  71          HH12      ARG  71  -4.866   6.196  18.313
  587    H    SER  72           H        SER  72  -7.452  10.076  14.149
  588    HA   SER  72           HA       SER  72  -9.954   8.921  15.269
  589   1HB   SER  72          HB2       SER  72  -7.418   9.596  16.821
  590   2HB   SER  72          HB3       SER  72  -8.945   9.031  17.507
  591    HG   SER  72           HG       SER  72  -7.452   7.326  17.293
  592    H    GLU  73           H        GLU  73 -10.976  10.461  16.824
  593    HA   GLU  73           HA       GLU  73 -11.140  13.097  15.855
  594   1HB   GLU  73          HB2       GLU  73 -12.876  11.950  17.033
  595   2HB   GLU  73          HB3       GLU  73 -11.932  11.954  18.540
  596   1HG   GLU  73          HG2       GLU  73 -12.028  14.424  18.601
  597   2HG   GLU  73          HG3       GLU  73 -12.865  14.448  17.045
  598    H    ASP  74           H        ASP  74  -8.924  11.717  18.223
  599    HA   ASP  74           HA       ASP  74  -7.986  14.112  19.406
  600   1HB   ASP  74          HB2       ASP  74  -7.596  11.746  20.209
  601   2HB   ASP  74          HB3       ASP  74  -6.397  11.565  18.923
  602    H    ASP  75           H        ASP  75  -7.472  12.926  16.180
  603    HA   ASP  75           HA       ASP  75  -5.211  14.808  15.729
  604   1HB   ASP  75          HB2       ASP  75  -4.127  13.096  14.358
  605   2HB   ASP  75          HB3       ASP  75  -4.349  12.525  16.010
  606    H    LEU  76           H        LEU  76  -8.310  14.093  14.872
  607    HA   LEU  76           HA       LEU  76  -8.221  13.981  12.068
  608   1HB   LEU  76          HB2       LEU  76 -10.146  13.886  14.222
  609   2HB   LEU  76          HB3       LEU  76 -10.804  14.925  12.984
  610    HG   LEU  76           HG       LEU  76  -9.745  12.109  12.466
  611   1HD1  LEU  76          HD11      LEU  76 -12.125  11.431  12.368
  612   2HD1  LEU  76          HD12      LEU  76 -11.710  12.030  13.977
  613   3HD1  LEU  76          HD13      LEU  76 -12.619  13.065  12.862
  614   1HD2  LEU  76          HD21      LEU  76  -9.777  13.573  10.452
  615   2HD2  LEU  76          HD22      LEU  76 -10.989  12.290  10.342
  616   3HD2  LEU  76          HD23      LEU  76 -11.483  13.948  10.752
  617    H    ASP  77           H        ASP  77  -7.318  16.690  13.677
  618    HA   ASP  77           HA       ASP  77  -8.717  18.590  11.860
  619   1HB   ASP  77          HB2       ASP  77  -9.696  18.642  14.113
  620   2HB   ASP  77          HB3       ASP  77  -8.085  18.927  14.788
  621    HA   PRO  78           HA       PRO  78  -4.459  19.466  11.006
  622   1HB   PRO  78          HB2       PRO  78  -4.669  21.659   9.401
  623   2HB   PRO  78          HB3       PRO  78  -5.101  19.987   8.903
  624   1HG   PRO  78          HG2       PRO  78  -6.946  22.183   9.889
  625   2HG   PRO  78          HG3       PRO  78  -7.162  21.114   8.465
  626   1HD   PRO  78          HD2       PRO  78  -8.354  20.590  10.867
  627   2HD   PRO  78          HD3       PRO  78  -7.738  19.266   9.840
  628    H    GLY  79           H        GLY  79  -6.386  21.632  12.934
  629   1HA   GLY  79          HA2       GLY  79  -4.264  23.652  13.293
  630   2HA   GLY  79          HA3       GLY  79  -5.823  23.526  14.142
  631    H    LYS  80           H        LYS  80  -5.593  20.697  14.770
  632    HA   LYS  80           HA       LYS  80  -3.969  20.807  17.195
  633   1HB   LYS  80          HB2       LYS  80  -5.117  18.363  15.765
  634   2HB   LYS  80          HB3       LYS  80  -4.480  18.431  17.409
  635   1HG   LYS  80          HG2       LYS  80  -6.302  19.842  18.154
  636   2HG   LYS  80          HG3       LYS  80  -6.935  19.987  16.501
  637   1HD   LYS  80          HD2       LYS  80  -7.264  17.535  16.397
  638   2HD   LYS  80          HD3       LYS  80  -6.641  17.381  18.054
  639   1HE   LYS  80          HE2       LYS  80  -8.498  19.054  18.733
  640   2HE   LYS  80          HE3       LYS  80  -9.182  18.801  17.124
  641   1HZ   LYS  80          HZ1       LYS  80 -10.230  17.356  18.707
  642   2HZ   LYS  80          HZ2       LYS  80  -9.358  16.392  17.717
  643   3HZ   LYS  80          HZ3       LYS  80  -8.814  16.744  19.223
  644    H    ILE  81           H        ILE  81  -3.685  19.259  13.971
  645    HA   ILE  81           HA       ILE  81  -1.188  18.015  14.420
  646    HB   ILE  81           HB       ILE  81  -2.424  19.033  11.835
  647   1HG1  ILE  81          HG12      ILE  81  -2.383  16.199  12.950
  648   2HG1  ILE  81          HG13      ILE  81  -3.738  17.281  13.179
  649   1HG2  ILE  81          HG21      ILE  81  -0.197  16.959  12.244
  650   2HG2  ILE  81          HG22      ILE  81  -0.852  17.493  10.682
  651   3HG2  ILE  81          HG23      ILE  81   0.084  18.605  11.670
  652   1HD1  ILE  81          HD11      ILE  81  -2.741  16.373  10.450
  653   2HD1  ILE  81          HD12      ILE  81  -4.155  15.758  11.309
  654   3HD1  ILE  81          HD13      ILE  81  -4.126  17.428  10.754
  655    H    LYS  82           H        LYS  82  -1.790  21.255  12.744
  656    HA   LYS  82           HA       LYS  82   0.783  22.111  12.707
  657   1HB   LYS  82          HB2       LYS  82  -1.183  23.305  11.770
  658   2HB   LYS  82          HB3       LYS  82  -1.715  23.735  13.390
  659   1HG   LYS  82          HG2       LYS  82  -0.637  25.610  12.246
  660   2HG   LYS  82          HG3       LYS  82   0.234  25.173  13.719
  661   1HD   LYS  82          HD2       LYS  82   1.906  23.929  12.378
  662   2HD   LYS  82          HD3       LYS  82   1.036  24.315  10.902
  663   1HE   LYS  82          HE2       LYS  82   2.325  26.325  12.818
  664   2HE   LYS  82          HE3       LYS  82   3.053  25.750  11.318
  665   1HZ   LYS  82          HZ1       LYS  82   0.558  27.342  11.498
  666   2HZ   LYS  82          HZ2       LYS  82   2.007  27.880  10.997
  667   3HZ   LYS  82          HZ3       LYS  82   1.210  26.780  10.103
  668    H    GLU  83           H        GLU  83  -1.365  22.613  15.593
  669    HA   GLU  83           HA       GLU  83   0.569  24.057  17.046
  670   1HB   GLU  83          HB2       GLU  83  -1.852  23.929  17.554
  671   2HB   GLU  83          HB3       GLU  83  -1.664  22.250  18.083
  672   1HG   GLU  83          HG2       GLU  83  -0.169  22.979  19.910
  673   2HG   GLU  83          HG3       GLU  83  -0.243  24.645  19.332
  674    H    THR  84           H        THR  84   0.003  20.548  16.824
  675    HA   THR  84           HA       THR  84   1.898  19.771  18.838
  676    HB   THR  84           HB       THR  84   0.608  18.342  16.464
  677    HG1  THR  84           HG1      THR  84  -0.960  18.938  17.768
  678   1HG2  THR  84          HG21      THR  84   2.166  17.262  18.814
  679   2HG2  THR  84          HG22      THR  84   1.001  16.275  17.911
  680   3HG2  THR  84          HG23      THR  84   2.384  16.978  17.059
  681    H    ALA  85           H        ALA  85   2.068  19.725  15.242
  682    HA   ALA  85           HA       ALA  85   4.716  18.944  14.901
  683   1HB   ALA  85          HB1       ALA  85   3.090  19.112  13.085
  684   2HB   ALA  85          HB2       ALA  85   3.010  20.879  13.263
  685   3HB   ALA  85          HB3       ALA  85   4.501  20.117  12.693
  686    H    ALA  86           H        ALA  86   3.460  22.284  15.297
  687    HA   ALA  86           HA       ALA  86   5.829  23.721  15.009
  688   1HB   ALA  86          HB1       ALA  86   3.561  24.717  15.264
  689   2HB   ALA  86          HB2       ALA  86   3.559  24.232  16.983
  690   3HB   ALA  86          HB3       ALA  86   4.722  25.438  16.399
  691    H    GLU  87           H        GLU  87   4.806  21.750  17.761
  692    HA   GLU  87           HA       GLU  87   6.821  22.930  19.575
  693   1HB   GLU  87          HB2       GLU  87   4.551  20.933  19.848
  694   2HB   GLU  87          HB3       GLU  87   5.763  21.117  21.121
  695   1HG   GLU  87          HG2       GLU  87   4.042  23.388  20.032
  696   2HG   GLU  87          HG3       GLU  87   3.656  22.439  21.461
  697    H    HIS  88           H        HIS  88   6.159  19.873  17.800
  698    HA   HIS  88           HA       HIS  88   8.534  18.542  18.637
  699   1HB   HIS  88          HB2       HIS  88   6.826  18.232  16.137
  700   2HB   HIS  88          HB3       HIS  88   8.086  17.104  16.640
  701    HD1  HIS  88           HD1      HIS  88   7.462  16.836  19.729
  702    HD2  HIS  88           HD2      HIS  88   4.621  16.908  16.620
  703    HE1  HIS  88           HE1      HIS  88   5.389  15.703  20.634
  704    H    ASP  89           H        ASP  89   8.308  21.289  16.541
  705    HA   ASP  89           HA       ASP  89   9.971  22.552  15.780
  706   1HB   ASP  89          HB2       ASP  89  11.441  21.473  17.579
  707   2HB   ASP  89          HB3       ASP  89  12.038  20.391  16.315
  708    H    ILE  90           H        ILE  90   8.822  19.810  14.418
  709    HA   ILE  90           HA       ILE  90  10.527  19.480  12.156
  710    HB   ILE  90           HB       ILE  90   8.594  18.273  11.203
  711   1HG1  ILE  90          HG12      ILE  90   7.105  19.217  13.692
  712   2HG1  ILE  90          HG13      ILE  90   6.683  19.522  12.005
  713   1HG2  ILE  90          HG21      ILE  90  10.275  17.264  12.786
  714   2HG2  ILE  90          HG22      ILE  90   9.118  17.500  14.108
  715   3HG2  ILE  90          HG23      ILE  90   8.726  16.428  12.750
  716   1HD1  ILE  90          HD11      ILE  90   6.400  16.986  11.763
  717   2HD1  ILE  90          HD12      ILE  90   6.553  16.947  13.539
  718   3HD1  ILE  90          HD13      ILE  90   5.216  17.818  12.791
  719    H    THR  91           H        THR  91  10.874  20.813  10.533
  720    HA   THR  91           HA       THR  91   8.844  22.861   9.804
  721    HB   THR  91           HB       THR  91  10.786  24.195   9.039
  722    HG1  THR  91           HG1      THR  91  12.452  22.926   8.758
  723   1HG2  THR  91          HG21      THR  91  10.782  23.349  11.982
  724   2HG2  THR  91          HG22      THR  91  11.585  24.788  11.321
  725   3HG2  THR  91          HG23      THR  91   9.821  24.623  11.244
  726    H    GLN  92           H        GLN  92   9.992  19.918   8.759
  727    HA   GLN  92           HA       GLN  92  10.237  20.166   5.967
  728   1HB   GLN  92          HB2       GLN  92   9.284  17.836   5.961
  729   2HB   GLN  92          HB3       GLN  92  10.658  18.028   7.053
  730   1HG   GLN  92          HG2       GLN  92   9.278  17.984   8.993
  731   2HG   GLN  92          HG3       GLN  92   7.802  18.274   8.079
  732   1HE2  GLN  92          HE22      GLN  92   7.590  16.324   9.866
  733   2HE2  GLN  92          HE21      GLN  92   7.651  14.753   9.088
  734    HA   PRO  93           HA       PRO  93   5.953  21.163   4.776
  735   1HB   PRO  93          HB2       PRO  93   5.771  19.660   2.425
  736   2HB   PRO  93          HB3       PRO  93   6.522  21.282   2.558
  737   1HG   PRO  93          HG2       PRO  93   7.881  18.590   2.575
  738   2HG   PRO  93          HG3       PRO  93   8.381  20.097   1.736
  739   1HD   PRO  93          HD2       PRO  93   9.523  19.346   4.050
  740   2HD   PRO  93          HD3       PRO  93   9.181  21.062   3.703
  741    H    ILE  94           H        ILE  94   3.978  20.214   5.260
  742    HA   ILE  94           HA       ILE  94   3.877  17.293   5.848
  743    HB   ILE  94           HB       ILE  94   3.278  19.656   7.648
  744   1HG1  ILE  94          HG12      ILE  94   5.018  17.182   7.963
  745   2HG1  ILE  94          HG13      ILE  94   5.546  18.822   7.587
  746   1HG2  ILE  94          HG21      ILE  94   1.327  18.148   7.822
  747   2HG2  ILE  94          HG22      ILE  94   2.407  16.766   8.090
  748   3HG2  ILE  94          HG23      ILE  94   2.282  18.095   9.283
  749   1HD1  ILE  94          HD11      ILE  94   6.049  18.418   9.869
  750   2HD1  ILE  94          HD12      ILE  94   4.740  19.613   9.797
  751   3HD1  ILE  94          HD13      ILE  94   4.393  17.919  10.232
  752    H    PHE  95           H        PHE  95   2.366  16.514   4.613
  753    HA   PHE  95           HA       PHE  95   0.208  18.255   3.583
  754   1HB   PHE  95          HB2       PHE  95   1.620  17.202   1.949
  755   2HB   PHE  95          HB3       PHE  95   1.522  15.648   2.767
  756    HD1  PHE  95           HD1      PHE  95   0.631  14.172   1.217
  757    HD2  PHE  95           HD2      PHE  95  -1.241  18.029   1.751
  758    HE1  PHE  95           HE1      PHE  95  -1.278  13.454  -0.176
  759    HE2  PHE  95           HE2      PHE  95  -3.167  17.275   0.426
  760    HZ   PHE  95           HZ       PHE  95  -3.222  14.937  -0.491
  761    H    VAL  96           H        VAL  96  -1.933  17.794   3.967
  762    HA   VAL  96           HA       VAL  96  -2.753  15.205   5.064
  763    HB   VAL  96           HB       VAL  96  -4.001  17.763   6.128
  764   1HG1  VAL  96          HG11      VAL  96  -5.240  15.663   6.393
  765   2HG1  VAL  96          HG12      VAL  96  -3.847  14.906   7.176
  766   3HG1  VAL  96          HG13      VAL  96  -4.705  16.254   7.969
  767   1HG2  VAL  96          HG21      VAL  96  -1.713  18.066   6.869
  768   2HG2  VAL  96          HG22      VAL  96  -2.693  17.545   8.241
  769   3HG2  VAL  96          HG23      VAL  96  -1.622  16.390   7.407
  770    H    ASP  97           H        ASP  97  -4.784  14.625   4.102
  771    HA   ASP  97           HA       ASP  97  -6.336  16.741   2.757
  772   1HB   ASP  97          HB2       ASP  97  -4.880  15.809   1.045
  773   2HB   ASP  97          HB3       ASP  97  -5.530  14.190   1.363
  774    H    SER  98           H        SER  98  -8.540  16.187   2.394
  775    HA   SER  98           HA       SER  98  -9.761  14.587   4.417
  776   1HB   SER  98          HB2       SER  98 -10.990  15.701   1.866
  777   2HB   SER  98          HB3       SER  98 -11.809  15.345   3.399
  778    HG   SER  98           HG       SER  98 -11.358  17.578   3.152
  779    H    ASP  99           H        ASP  99  -8.600  13.828   1.163
  780    HA   ASP  99           HA       ASP  99 -10.064  11.223   1.222
  781   1HB   ASP  99          HB2       ASP  99 -10.986  12.722  -0.457
  782   2HB   ASP  99          HB3       ASP  99  -9.382  13.031  -1.119
  783    H    HIS 100           H        HIS 100  -7.025  12.898   0.212
  784    HA   HIS 100           HA       HIS 100  -4.980  12.235  -0.214
  785   1HB   HIS 100          HB2       HIS 100  -5.631   9.868   1.570
  786   2HB   HIS 100          HB3       HIS 100  -4.065  10.127   0.823
  787    HD1  HIS 100           HD1      HIS 100  -5.487  10.624   4.045
  788    HD2  HIS 100           HD2      HIS 100  -3.160  12.929   1.402
  789    HE1  HIS 100           HE1      HIS 100  -4.235  12.323   5.472
  790    H    ALA 101           H        ALA 101  -5.445  12.157  -2.425
  791    HA   ALA 101           HA       ALA 101  -6.574   9.979  -3.824
  792   1HB   ALA 101          HB1       ALA 101  -6.183  12.194  -4.821
  793   2HB   ALA 101          HB2       ALA 101  -4.424  11.962  -4.697
  794   3HB   ALA 101          HB3       ALA 101  -5.388  10.936  -5.786
  795    H    LEU 102           H        LEU 102  -3.379  10.274  -2.420
  796    HA   LEU 102           HA       LEU 102  -2.168   8.117  -3.899
  797   1HB   LEU 102          HB2       LEU 102  -0.467   8.051  -2.259
  798   2HB   LEU 102          HB3       LEU 102  -0.651   9.691  -2.846
  799    HG   LEU 102           HG       LEU 102  -1.930   8.789  -0.217
  800   1HD1  LEU 102          HD11      LEU 102   0.937   9.718  -0.632
  801   2HD1  LEU 102          HD12      LEU 102   0.126   9.550   0.942
  802   3HD1  LEU 102          HD13      LEU 102   0.397   8.124  -0.068
  803   1HD2  LEU 102          HD21      LEU 102  -2.585  11.034  -1.043
  804   2HD2  LEU 102          HD22      LEU 102  -1.572  11.163   0.398
  805   3HD2  LEU 102          HD23      LEU 102  -0.876  11.466  -1.214
  806    H    THR 103           H        THR 103  -4.588   8.035  -1.363
  807    HA   THR 103           HA       THR 103  -3.659   5.498  -0.317
  808    HB   THR 103           HB       THR 103  -5.933   5.180   0.458
  809    HG1  THR 103           HG1      THR 103  -6.423   7.804  -0.552
  810   1HG2  THR 103          HG21      THR 103  -4.402   6.196   1.969
  811   2HG2  THR 103          HG22      THR 103  -4.566   7.785   1.209
  812   3HG2  THR 103          HG23      THR 103  -5.924   7.083   2.122
  813    H    ASP 104           H        ASP 104  -4.968   6.434  -3.412
  814    HA   ASP 104           HA       ASP 104  -5.940   3.735  -3.966
  815   1HB   ASP 104          HB2       ASP 104  -6.808   5.727  -5.193
  816   2HB   ASP 104          HB3       ASP 104  -5.183   6.056  -5.805
  817    H    ALA 105           H        ALA 105  -2.857   5.376  -3.891
  818    HA   ALA 105           HA       ALA 105  -1.573   3.225  -5.510
  819   1HB   ALA 105          HB1       ALA 105   0.420   4.641  -5.296
  820   2HB   ALA 105          HB2       ALA 105  -0.960   5.536  -5.969
  821   3HB   ALA 105          HB3       ALA 105  -0.482   5.784  -4.269
  822    H    PHE 106           H        PHE 106  -1.506   4.622  -2.172
  823    HA   PHE 106           HA       PHE 106   0.516   2.639  -1.341
  824   1HB   PHE 106          HB2       PHE 106  -0.657   5.176  -0.145
  825   2HB   PHE 106          HB3       PHE 106   0.217   4.042   0.835
  826    HD1  PHE 106           HD1      PHE 106   2.613   4.083   0.984
  827    HD2  PHE 106           HD2      PHE 106   0.602   6.257  -2.129
  828    HE1  PHE 106           HE1      PHE 106   4.646   5.427   0.626
  829    HE2  PHE 106           HE2      PHE 106   2.624   7.683  -2.417
  830    HZ   PHE 106           HZ       PHE 106   4.647   7.269  -1.049
  831    H    GLU 107           H        GLU 107  -2.923   3.403  -1.088
  832    HA   GLU 107           HA       GLU 107  -4.549   2.763   0.375
  833   1HB   GLU 107          HB2       GLU 107  -4.035   0.820  -1.259
  834   2HB   GLU 107          HB3       GLU 107  -3.427  -0.033   0.162
  835   1HG   GLU 107          HG2       GLU 107  -5.680   0.404   1.267
  836   2HG   GLU 107          HG3       GLU 107  -6.209   1.181  -0.226
  837    H    ASN 108           H        ASN 108  -2.662   4.001   1.727
  838    HA   ASN 108           HA       ASN 108  -1.318   2.931   3.829
  839   1HB   ASN 108          HB2       ASN 108  -0.971   5.203   3.511
  840   2HB   ASN 108          HB3       ASN 108  -2.697   5.564   3.426
  841   1HD2  ASN 108          HD22      ASN 108  -0.329   4.279   5.909
  842   2HD2  ASN 108          HD21      ASN 108  -1.121   5.081   7.235
  843    H    GLU 109           H        GLU 109  -1.748   1.695   5.508
  844    HA   GLU 109           HA       GLU 109  -4.083   2.119   7.197
  845   1HB   GLU 109          HB2       GLU 109  -4.536   0.451   5.131
  846   2HB   GLU 109          HB3       GLU 109  -3.761  -0.718   6.175
  847   1HG   GLU 109          HG2       GLU 109  -6.203   1.012   6.804
  848   2HG   GLU 109          HG3       GLU 109  -6.235  -0.683   6.350
  849    H    TYR 110           H        TYR 110  -1.373   2.656   7.701
  850    HA   TYR 110           HA       TYR 110  -0.502   0.853   9.773
  851   1HB   TYR 110          HB2       TYR 110   1.807   1.051   8.646
  852   2HB   TYR 110          HB3       TYR 110   0.641  -0.038   7.894
  853    HD1  TYR 110           HD1      TYR 110   1.879   3.516   7.586
  854    HD2  TYR 110           HD2      TYR 110   0.340   0.016   5.591
  855    HE1  TYR 110           HE1      TYR 110   2.031   4.712   5.435
  856    HE2  TYR 110           HE2      TYR 110   0.551   1.172   3.416
  857    HH   TYR 110           HH       TYR 110   1.077   3.140   2.357
  858    H    VAL 111           H        VAL 111   0.699   2.139  11.226
  859    HA   VAL 111           HA       VAL 111   1.862   4.633  10.509
  860    HB   VAL 111           HB       VAL 111  -0.703   5.157  10.781
  861   1HG1  VAL 111          HG11      VAL 111  -1.531   5.755  12.923
  862   2HG1  VAL 111          HG12      VAL 111  -1.129   4.028  12.918
  863   3HG1  VAL 111          HG13      VAL 111  -0.061   5.199  13.730
  864   1HG2  VAL 111          HG21      VAL 111   1.145   6.756  10.528
  865   2HG2  VAL 111          HG22      VAL 111  -0.242   7.348  11.448
  866   3HG2  VAL 111          HG23      VAL 111   1.222   6.845  12.321
  867    HA   PRO 112           HA       PRO 112   3.206   6.154  11.466
  868   1HB   PRO 112          HB2       PRO 112   5.865   6.253  12.180
  869   2HB   PRO 112          HB3       PRO 112   4.571   7.082  13.071
  870   1HG   PRO 112          HG2       PRO 112   5.864   4.414  13.682
  871   2HG   PRO 112          HG3       PRO 112   5.457   5.743  14.816
  872   1HD   PRO 112          HD2       PRO 112   3.869   3.531  14.523
  873   2HD   PRO 112          HD3       PRO 112   3.155   5.149  14.802
  874    H    ALA 113           H        ALA 113   4.473   6.105   9.486
  875    HA   ALA 113           HA       ALA 113   6.199   3.738   9.081
  876   1HB   ALA 113          HB1       ALA 113   3.947   4.388   7.160
  877   2HB   ALA 113          HB2       ALA 113   5.197   3.153   6.909
  878   3HB   ALA 113          HB3       ALA 113   4.018   2.957   8.227
  879    H    TYR 114           H        TYR 114   7.570   3.863   7.215
  880    HA   TYR 114           HA       TYR 114   8.075   6.658   6.297
  881   1HB   TYR 114          HB2       TYR 114  10.423   5.041   7.134
  882   2HB   TYR 114          HB3       TYR 114  10.103   6.758   7.291
  883    HD1  TYR 114           HD1      TYR 114   9.757   3.446   8.849
  884    HD2  TYR 114           HD2      TYR 114   8.976   7.651   9.337
  885    HE1  TYR 114           HE1      TYR 114   9.212   3.056  11.226
  886    HE2  TYR 114           HE2      TYR 114   8.393   7.278  11.707
  887    HH   TYR 114           HH       TYR 114   8.206   5.716  13.428
  888    H    TYR 115           H        TYR 115   9.207   6.829   4.303
  889    HA   TYR 115           HA       TYR 115   9.678   4.311   2.767
  890   1HB   TYR 115          HB2       TYR 115   7.813   6.631   2.090
  891   2HB   TYR 115          HB3       TYR 115   8.464   5.530   0.892
  892    HD1  TYR 115           HD1      TYR 115   6.206   5.668   3.883
  893    HD2  TYR 115           HD2      TYR 115   7.492   3.464   0.418
  894    HE1  TYR 115           HE1      TYR 115   4.282   4.121   4.147
  895    HE2  TYR 115           HE2      TYR 115   5.635   1.882   0.708
  896    HH   TYR 115           HH       TYR 115   3.203   2.216   3.297
  897    H    VAL 116           H        VAL 116  11.401   4.580   1.297
  898    HA   VAL 116           HA       VAL 116  12.722   7.266   1.345
  899    HB   VAL 116           HB       VAL 116  14.239   4.637   1.410
  900   1HG1  VAL 116          HG11      VAL 116  15.446   6.678   0.665
  901   2HG1  VAL 116          HG12      VAL 116  15.000   7.497   2.172
  902   3HG1  VAL 116          HG13      VAL 116  16.080   6.083   2.212
  903   1HG2  VAL 116          HG21      VAL 116  12.996   4.604   3.507
  904   2HG2  VAL 116          HG22      VAL 116  14.687   4.994   3.825
  905   3HG2  VAL 116          HG23      VAL 116  13.464   6.288   3.851
  906    H    PHE 117           H        PHE 117  13.371   7.950  -0.675
  907    HA   PHE 117           HA       PHE 117  12.928   6.088  -2.976
  908   1HB   PHE 117          HB2       PHE 117  12.166   9.019  -2.730
  909   2HB   PHE 117          HB3       PHE 117  11.985   8.027  -4.157
  910    HD1  PHE 117           HD1      PHE 117  10.810   8.320  -0.583
  911    HD2  PHE 117           HD2      PHE 117   9.932   6.952  -4.578
  912    HE1  PHE 117           HE1      PHE 117   8.508   7.759   0.102
  913    HE2  PHE 117           HE2      PHE 117   7.619   6.418  -3.889
  914    HZ   PHE 117           HZ       PHE 117   6.907   6.785  -1.533
  915    H    ASP 118           H        ASP 118  14.313   6.295  -4.637
  916    HA   ASP 118           HA       ASP 118  16.851   7.717  -4.407
  917   1HB   ASP 118          HB2       ASP 118  16.546   5.576  -5.600
  918   2HB   ASP 118          HB3       ASP 118  15.437   6.355  -6.721
  919    H    LYS 119           H        LYS 119  17.466   9.470  -5.855
  920    HA   LYS 119           HA       LYS 119  15.737  11.700  -5.828
  921   1HB   LYS 119          HB2       LYS 119  17.504  12.870  -6.797
  922   2HB   LYS 119          HB3       LYS 119  18.280  11.621  -5.842
  923   1HG   LYS 119          HG2       LYS 119  19.516  11.187  -7.671
  924   2HG   LYS 119          HG3       LYS 119  18.086  10.399  -8.338
  925   1HD   LYS 119          HD2       LYS 119  17.439  12.843  -9.129
  926   2HD   LYS 119          HD3       LYS 119  19.130  13.222  -8.821
  927   1HE   LYS 119          HE2       LYS 119  18.052  11.054 -10.663
  928   2HE   LYS 119          HE3       LYS 119  18.602  12.664 -11.171
  929   1HZ   LYS 119          HZ1       LYS 119  20.337  10.585  -9.953
  930   2HZ   LYS 119          HZ2       LYS 119  20.332  11.030 -11.518
  931   3HZ   LYS 119          HZ3       LYS 119  20.829  12.086 -10.386
  932    H    THR 120           H        THR 120  15.567   9.143  -7.980
  933    HA   THR 120           HA       THR 120  14.618  10.504 -10.369
  934    HB   THR 120           HB       THR 120  13.938   8.047 -10.767
  935    HG1  THR 120           HG1      THR 120  15.132   6.609  -9.292
  936   1HG2  THR 120          HG21      THR 120  16.884   8.513 -10.106
  937   2HG2  THR 120          HG22      THR 120  16.224   7.255 -11.178
  938   3HG2  THR 120          HG23      THR 120  16.096   8.963 -11.641
  939    H    GLY 121           H        GLY 121  13.342   9.142  -7.389
  940   1HA   GLY 121          HA2       GLY 121  11.087   9.573  -6.618
  941   2HA   GLY 121          HA3       GLY 121  10.511   9.460  -8.296
  942    H    GLN 122           H        GLN 122  12.911   7.112  -7.896
  943    HA   GLN 122           HA       GLN 122  10.957   4.959  -7.959
  944   1HB   GLN 122          HB2       GLN 122  14.005   5.041  -7.820
  945   2HB   GLN 122          HB3       GLN 122  13.076   3.550  -7.925
  946   1HG   GLN 122          HG2       GLN 122  12.914   5.770 -10.018
  947   2HG   GLN 122          HG3       GLN 122  14.049   4.430 -10.099
  948   1HE2  GLN 122          HE22      GLN 122  10.723   5.386 -10.637
  949   2HE2  GLN 122          HE21      GLN 122  10.149   3.815 -11.151
  950    H    LEU 123           H        LEU 123   9.951   4.366  -6.164
  951    HA   LEU 123           HA       LEU 123  10.756   4.721  -3.476
  952   1HB   LEU 123          HB2       LEU 123   8.478   4.143  -4.051
  953   2HB   LEU 123          HB3       LEU 123   8.994   2.598  -4.736
  954    HG   LEU 123           HG       LEU 123   9.659   1.756  -2.599
  955   1HD1  LEU 123          HD11      LEU 123   8.889   4.428  -1.348
  956   2HD1  LEU 123          HD12      LEU 123   9.394   2.950  -0.481
  957   3HD1  LEU 123          HD13      LEU 123  10.531   3.807  -1.483
  958   1HD2  LEU 123          HD21      LEU 123   7.524   1.627  -1.462
  959   2HD2  LEU 123          HD22      LEU 123   6.981   3.151  -2.205
  960   3HD2  LEU 123          HD23      LEU 123   7.223   1.706  -3.203
  961    H    ARG 124           H        ARG 124  12.427   3.898  -2.386
  962    HA   ARG 124           HA       ARG 124  13.957   1.700  -3.653
  963   1HB   ARG 124          HB2       ARG 124  14.713   4.252  -3.253
  964   2HB   ARG 124          HB3       ARG 124  15.073   3.667  -1.639
  965   1HG   ARG 124          HG2       ARG 124  17.052   3.644  -2.991
  966   2HG   ARG 124          HG3       ARG 124  16.616   1.957  -2.658
  967   1HD   ARG 124          HD2       ARG 124  15.762   1.661  -4.901
  968   2HD   ARG 124          HD3       ARG 124  15.777   3.409  -5.206
  969    HE   ARG 124           HE       ARG 124  18.432   2.535  -4.586
  970   1HH1  ARG 124          HH21      ARG 124  16.085   2.305  -7.266
  971   2HH1  ARG 124          HH22      ARG 124  17.314   2.208  -8.472
  972   1HH2  ARG 124          HH11      ARG 124  19.948   2.410  -6.060
  973   2HH2  ARG 124          HH12      ARG 124  19.633   2.253  -7.782
  974    H    HIS 125           H        HIS 125  12.593   2.769  -0.458
  975    HA   HIS 125           HA       HIS 125  12.636  -0.002   0.415
  976   1HB   HIS 125          HB2       HIS 125  14.979   0.946   0.894
  977   2HB   HIS 125          HB3       HIS 125  14.205   2.093   1.979
  978    HD1  HIS 125           HD1      HIS 125  14.834  -1.716   1.627
  979    HD2  HIS 125           HD2      HIS 125  13.542   1.214   4.346
  980    HE1  HIS 125           HE1      HIS 125  14.781  -2.854   3.902
  981    H    PHE 126           H        PHE 126  11.499  -0.162   2.597
  982    HA   PHE 126           HA       PHE 126  10.083   2.204   3.565
  983   1HB   PHE 126          HB2       PHE 126   8.255   1.710   2.351
  984   2HB   PHE 126          HB3       PHE 126   8.769   0.082   1.969
  985    HD1  PHE 126           HD1      PHE 126   8.149  -1.832   3.378
  986    HD2  PHE 126           HD2      PHE 126   6.826   2.160   4.334
  987    HE1  PHE 126           HE1      PHE 126   6.438  -2.764   4.914
  988    HE2  PHE 126           HE2      PHE 126   5.060   1.206   5.823
  989    HZ   PHE 126           HZ       PHE 126   4.892  -1.236   6.136
  990    H    GLN 127           H        GLN 127   9.318   1.906   5.695
  991    HA   GLN 127           HA       GLN 127   9.603  -0.649   7.070
  992   1HB   GLN 127          HB2       GLN 127  11.149   1.861   7.892
  993   2HB   GLN 127          HB3       GLN 127  10.757   0.581   9.030
  994   1HG   GLN 127          HG2       GLN 127  12.503   0.295   6.564
  995   2HG   GLN 127          HG3       GLN 127  13.045   0.392   8.229
  996   1HE2  GLN 127          HE22      GLN 127  13.055  -1.802   5.982
  997   2HE2  GLN 127          HE21      GLN 127  12.589  -3.249   6.865
  998    H    ALA 128           H        ALA 128   8.475  -0.429   9.261
  999    HA   ALA 128           HA       ALA 128   6.953   2.022   9.631
 1000   1HB   ALA 128          HB1       ALA 128   5.423   0.698   8.196
 1001   2HB   ALA 128          HB2       ALA 128   5.545  -0.675   9.320
 1002   3HB   ALA 128          HB3       ALA 128   4.775   0.839   9.837
 1003    H    GLY 129           H        GLY 129   5.951   2.113  11.723
 1004   1HA   GLY 129          HA2       GLY 129   5.880   1.850  14.000
 1005   2HA   GLY 129          HA3       GLY 129   6.009   0.110  13.696
 1006    H    GLY 130           H        GLY 130   8.295   2.893  13.286
 1007   1HA   GLY 130          HA2       GLY 130  10.488   1.157  14.211
 1008   2HA   GLY 130          HA3       GLY 130  10.620   2.668  13.302
 1009    H    SER 131           H        SER 131   8.478   3.069  15.905
 1010    HA   SER 131           HA       SER 131   8.567   4.291  17.818
 1011   1HB   SER 131          HB2       SER 131  10.804   2.320  18.398
 1012   2HB   SER 131          HB3       SER 131   9.651   3.014  19.552
 1013    HG   SER 131           HG       SER 131   9.113   0.873  18.883
 1014    H    GLY 132           H        GLY 132  10.266   5.666  15.857
 1015   1HA   GLY 132          HA2       GLY 132  11.568   7.710  16.875
 1016   2HA   GLY 132          HA3       GLY 132  12.676   6.448  17.416
 1017    H    MET 133           H        MET 133  11.812   5.002  14.710
 1018    HA   MET 133           HA       MET 133  12.803   4.621  12.762
 1019   1HB   MET 133          HB2       MET 133  12.825   6.437  11.080
 1020   2HB   MET 133          HB3       MET 133  11.296   6.128  11.864
 1021   1HG   MET 133          HG2       MET 133  11.385   8.145  13.126
 1022   2HG   MET 133          HG3       MET 133  13.086   8.407  12.737
 1023   1HE   MET 133          HE1       MET 133  13.807   8.401  10.021
 1024   2HE   MET 133          HE2       MET 133  13.215   9.911   9.289
 1025   3HE   MET 133          HE3       MET 133  13.920   9.930  10.919
 1026    H    LYS 134           H        LYS 134  14.698   5.011  14.949
 1027    HA   LYS 134           HA       LYS 134  16.960   6.400  13.859
 1028   1HB   LYS 134          HB2       LYS 134  16.569   5.945  16.308
 1029   2HB   LYS 134          HB3       LYS 134  16.905   4.237  16.010
 1030   1HG   LYS 134          HG2       LYS 134  18.876   5.255  16.925
 1031   2HG   LYS 134          HG3       LYS 134  19.211   4.854  15.249
 1032   1HD   LYS 134          HD2       LYS 134  18.683   7.335  14.693
 1033   2HD   LYS 134          HD3       LYS 134  18.637   7.597  16.450
 1034   1HE   LYS 134          HE2       LYS 134  20.968   6.523  16.517
 1035   2HE   LYS 134          HE3       LYS 134  20.929   6.566  14.734
 1036   1HZ   LYS 134          HZ1       LYS 134  22.085   8.466  15.755
 1037   2HZ   LYS 134          HZ2       LYS 134  20.870   8.896  14.762
 1038   3HZ   LYS 134          HZ3       LYS 134  20.682   8.992  16.409
 1039    H    MET 135           H        MET 135  15.748   3.091  13.396
 1040    HA   MET 135           HA       MET 135  18.171   2.123  12.139
 1041   1HB   MET 135          HB2       MET 135  16.291   0.679  13.012
 1042   2HB   MET 135          HB3       MET 135  15.296   1.217  11.659
 1043   1HG   MET 135          HG2       MET 135  17.867   0.297  10.651
 1044   2HG   MET 135          HG3       MET 135  17.247  -0.883  11.788
 1045   1HE   MET 135          HE1       MET 135  15.318   0.270   7.739
 1046   2HE   MET 135          HE2       MET 135  15.287   1.423   9.095
 1047   3HE   MET 135          HE3       MET 135  16.842   0.902   8.392
 1048    H    LEU 136           H        LEU 136  15.234   3.877  11.021
 1049    HA   LEU 136           HA       LEU 136  15.761   3.660   8.260
 1050   1HB   LEU 136          HB2       LEU 136  13.623   4.528   9.489
 1051   2HB   LEU 136          HB3       LEU 136  14.478   6.077   9.549
 1052    HG   LEU 136           HG       LEU 136  14.749   5.846   6.965
 1053   1HD1  LEU 136          HD11      LEU 136  12.663   3.692   7.480
 1054   2HD1  LEU 136          HD12      LEU 136  13.000   4.418   5.900
 1055   3HD1  LEU 136          HD13      LEU 136  14.258   3.481   6.714
 1056   1HD2  LEU 136          HD21      LEU 136  12.399   6.626   6.638
 1057   2HD2  LEU 136          HD22      LEU 136  12.139   6.305   8.382
 1058   3HD2  LEU 136          HD23      LEU 136  13.349   7.486   7.859
 1059    H    GLU 137           H        GLU 137  16.927   6.023  10.650
 1060    HA   GLU 137           HA       GLU 137  18.315   7.862   9.128
 1061   1HB   GLU 137          HB2       GLU 137  18.323   7.650  11.639
 1062   2HB   GLU 137          HB3       GLU 137  19.521   6.359  11.458
 1063   1HG   GLU 137          HG2       GLU 137  21.009   8.010  10.229
 1064   2HG   GLU 137          HG3       GLU 137  19.848   9.271  10.671
 1065    H    LYS 138           H        LYS 138  19.257   4.425   9.681
 1066    HA   LYS 138           HA       LYS 138  21.836   4.724   8.369
 1067   1HB   LYS 138          HB2       LYS 138  20.379   2.105   8.890
 1068   2HB   LYS 138          HB3       LYS 138  22.111   2.390   8.762
 1069   1HG   LYS 138          HG2       LYS 138  20.253   3.196  11.028
 1070   2HG   LYS 138          HG3       LYS 138  21.514   1.967  11.067
 1071   1HD   LYS 138          HD2       LYS 138  23.251   3.738  10.762
 1072   2HD   LYS 138          HD3       LYS 138  21.981   4.978  10.753
 1073   1HE   LYS 138          HE2       LYS 138  21.268   4.193  13.036
 1074   2HE   LYS 138          HE3       LYS 138  22.676   3.116  13.054
 1075   1HZ   LYS 138          HZ1       LYS 138  22.711   6.084  12.901
 1076   2HZ   LYS 138          HZ2       LYS 138  23.232   5.157  14.152
 1077   3HZ   LYS 138          HZ3       LYS 138  24.058   5.147  12.750
 1078    H    ARG 139           H        ARG 139  18.549   3.557   7.470
 1079    HA   ARG 139           HA       ARG 139  19.363   2.603   4.920
 1080   1HB   ARG 139          HB2       ARG 139  17.211   2.027   6.106
 1081   2HB   ARG 139          HB3       ARG 139  16.645   3.666   5.804
 1082   1HG   ARG 139          HG2       ARG 139  15.684   2.283   4.110
 1083   2HG   ARG 139          HG3       ARG 139  16.886   3.281   3.322
 1084   1HD   ARG 139          HD2       ARG 139  17.045   1.025   2.445
 1085   2HD   ARG 139          HD3       ARG 139  18.504   1.357   3.357
 1086    HE   ARG 139           HE       ARG 139  16.126  -0.214   4.328
 1087   1HH1  ARG 139          HH21      ARG 139  19.671   0.084   4.261
 1088   2HH1  ARG 139          HH22      ARG 139  19.919  -1.117   5.471
 1089   1HH2  ARG 139          HH11      ARG 139  16.453  -1.786   5.903
 1090   2HH2  ARG 139          HH12      ARG 139  18.044  -2.251   6.380
 1091    H    VAL 140           H        VAL 140  18.095   5.792   5.970
 1092    HA   VAL 140           HA       VAL 140  18.185   7.008   3.417
 1093    HB   VAL 140           HB       VAL 140  18.166   7.861   6.306
 1094   1HG1  VAL 140          HG11      VAL 140  18.805   9.736   4.023
 1095   2HG1  VAL 140          HG12      VAL 140  17.990  10.284   5.506
 1096   3HG1  VAL 140          HG13      VAL 140  19.602   9.565   5.590
 1097   1HG2  VAL 140          HG21      VAL 140  15.970   8.606   5.718
 1098   2HG2  VAL 140          HG22      VAL 140  16.329   8.550   3.978
 1099   3HG2  VAL 140          HG23      VAL 140  16.162   7.061   4.933
 1100    H    ASN 141           H        ASN 141  20.788   6.552   5.874
 1101    HA   ASN 141           HA       ASN 141  22.646   8.183   4.359
 1102   1HB   ASN 141          HB2       ASN 141  22.984   6.204   6.645
 1103   2HB   ASN 141          HB3       ASN 141  24.382   6.795   5.755
 1104   1HD2  ASN 141          HD22      ASN 141  21.601   7.900   7.728
 1105   2HD2  ASN 141          HD21      ASN 141  22.325   9.416   8.193
 1106    H    ARG 142           H        ARG 142  21.854   4.664   4.368
 1107    HA   ARG 142           HA       ARG 142  23.859   3.972   2.440
 1108   1HB   ARG 142          HB2       ARG 142  22.801   2.238   3.678
 1109   2HB   ARG 142          HB3       ARG 142  21.189   2.765   3.222
 1110   1HG   ARG 142          HG2       ARG 142  21.866   0.717   2.067
 1111   2HG   ARG 142          HG3       ARG 142  21.435   2.028   0.980
 1112   1HD   ARG 142          HD2       ARG 142  23.380   0.727   0.173
 1113   2HD   ARG 142          HD3       ARG 142  23.787   2.420   0.406
 1114    HE   ARG 142           HE       ARG 142  24.359   0.680   2.697
 1115   1HH1  ARG 142          HH21      ARG 142  25.663   2.008  -0.325
 1116   2HH1  ARG 142          HH22      ARG 142  27.315   1.834   0.142
 1117   1HH2  ARG 142          HH11      ARG 142  26.562   0.469   3.334
 1118   2HH2  ARG 142          HH12      ARG 142  27.831   0.936   2.270
 1119    H    VAL 143           H        VAL 143  20.433   5.133   2.026
 1120    HA   VAL 143           HA       VAL 143  20.516   5.030  -0.797
 1121    HB   VAL 143           HB       VAL 143  18.832   6.659   1.101
 1122   1HG1  VAL 143          HG11      VAL 143  18.585   6.485  -1.939
 1123   2HG1  VAL 143          HG12      VAL 143  17.357   7.152  -0.842
 1124   3HG1  VAL 143          HG13      VAL 143  18.924   7.949  -0.992
 1125   1HG2  VAL 143          HG21      VAL 143  18.319   4.246  -0.718
 1126   2HG2  VAL 143          HG22      VAL 143  18.470   4.191   1.045
 1127   3HG2  VAL 143          HG23      VAL 143  17.103   5.023   0.302
 1128    H    LEU 144           H        LEU 144  21.586   7.684   1.412
 1129    HA   LEU 144           HA       LEU 144  22.384   9.470  -0.663
 1130   1HB   LEU 144          HB2       LEU 144  23.644   9.036   2.079
 1131   2HB   LEU 144          HB3       LEU 144  24.055  10.352   0.990
 1132    HG   LEU 144           HG       LEU 144  21.310   9.879   2.172
 1133   1HD1  LEU 144          HD11      LEU 144  22.986  10.518   3.872
 1134   2HD1  LEU 144          HD12      LEU 144  23.421  11.945   2.908
 1135   3HD1  LEU 144          HD13      LEU 144  21.794  11.802   3.619
 1136   1HD2  LEU 144          HD21      LEU 144  22.397  12.177   0.503
 1137   2HD2  LEU 144          HD22      LEU 144  21.080  11.068   0.077
 1138   3HD2  LEU 144          HD23      LEU 144  20.858  12.220   1.392
 1139    H    ALA 145           H        ALA 145  24.153   6.841   0.999
 1140    HA   ALA 145           HA       ALA 145  26.556   7.069  -0.483
 1141   1HB   ALA 145          HB1       ALA 145  25.459   4.602   0.914
 1142   2HB   ALA 145          HB2       ALA 145  27.147   4.936   0.501
 1143   3HB   ALA 145          HB3       ALA 145  26.332   5.929   1.720
 1144    H    GLU 146           H        GLU 146  23.556   6.149  -1.824
 1145    HA   GLU 146           HA       GLU 146  25.083   4.966  -4.072
 1146   1HB   GLU 146          HB2       GLU 146  23.294   3.505  -4.649
 1147   2HB   GLU 146          HB3       GLU 146  23.860   3.181  -3.010
 1148   1HG   GLU 146          HG2       GLU 146  21.925   4.209  -2.046
 1149   2HG   GLU 146          HG3       GLU 146  21.360   4.810  -3.605
 1150    H    THR 147           H        THR 147  23.802   7.701  -3.073
 1151    HA   THR 147           HA       THR 147  22.815   8.537  -5.718
 1152    HB   THR 147           HB       THR 147  21.370   9.384  -3.195
 1153    HG1  THR 147           HG1      THR 147  21.055   7.249  -3.167
 1154   1HG2  THR 147          HG21      THR 147  21.045  10.657  -5.282
 1155   2HG2  THR 147          HG22      THR 147  20.646   9.161  -6.141
 1156   3HG2  THR 147          HG23      THR 147  19.559   9.766  -4.860
 1157    H    GLU 148           H        GLU 148  25.311   8.885  -4.873
 1158    HA   GLU 148           HA       GLU 148  25.630  11.776  -4.658
 1159   1HB   GLU 148          HB2       GLU 148  25.706  11.074  -2.296
 1160   2HB   GLU 148          HB3       GLU 148  26.894   9.816  -2.678
 1161   1HG   GLU 148          HG2       GLU 148  28.522  11.519  -3.357
 1162   2HG   GLU 148          HG3       GLU 148  27.331  12.796  -3.104
  Start of MODEL    6
    1   1H    MET   1           H1       MET   1   2.826  -1.889  -0.084
    2   2H    MET   1           H2       MET   1   1.710  -0.923  -0.813
    3   3H    MET   1           H3       MET   1   1.993  -2.435  -1.372
    4    HA   MET   1           HA       MET   1   3.027  -0.848  -2.830
    5   1HB   MET   1          HB2       MET   1   4.622  -0.085  -0.336
    6   2HB   MET   1          HB3       MET   1   5.042   0.411  -1.974
    7   1HG   MET   1          HG2       MET   1   2.442   1.149  -0.588
    8   2HG   MET   1          HG3       MET   1   3.869   2.161  -0.643
    9   1HE   MET   1          HE1       MET   1   5.041   2.835  -3.158
   10   2HE   MET   1          HE2       MET   1   3.865   3.884  -3.982
   11   3HE   MET   1          HE3       MET   1   4.127   4.037  -2.234
   12    H    LYS   2           H        LYS   2   5.109  -1.301  -3.857
   13    HA   LYS   2           HA       LYS   2   6.738  -3.457  -2.676
   14   1HB   LYS   2          HB2       LYS   2   6.962  -4.658  -4.679
   15   2HB   LYS   2          HB3       LYS   2   5.261  -4.572  -4.235
   16   1HG   LYS   2          HG2       LYS   2   4.917  -2.786  -5.955
   17   2HG   LYS   2          HG3       LYS   2   6.639  -2.922  -6.409
   18   1HD   LYS   2          HD2       LYS   2   6.316  -5.312  -6.906
   19   2HD   LYS   2          HD3       LYS   2   4.601  -5.177  -6.468
   20   1HE   LYS   2          HE2       LYS   2   4.273  -3.500  -8.286
   21   2HE   LYS   2          HE3       LYS   2   5.981  -3.638  -8.722
   22   1HZ   LYS   2          HZ1       LYS   2   5.578  -5.962  -9.295
   23   2HZ   LYS   2          HZ2       LYS   2   3.999  -5.834  -8.892
   24   3HZ   LYS   2          HZ3       LYS   2   4.592  -4.991 -10.152
   25    H    LEU   3           H        LEU   3   8.896  -3.492  -3.918
   26    HA   LEU   3           HA       LEU   3   9.858  -0.745  -3.703
   27   1HB   LEU   3          HB2       LEU   3  11.403  -3.313  -4.233
   28   2HB   LEU   3          HB3       LEU   3  12.088  -1.742  -3.814
   29    HG   LEU   3           HG       LEU   3  10.372  -3.522  -2.041
   30   1HD1  LEU   3          HD11      LEU   3  12.734  -4.154  -2.237
   31   2HD1  LEU   3          HD12      LEU   3  13.227  -2.516  -1.757
   32   3HD1  LEU   3          HD13      LEU   3  12.360  -3.562  -0.609
   33   1HD2  LEU   3          HD21      LEU   3  11.306  -0.670  -1.532
   34   2HD2  LEU   3          HD22      LEU   3   9.634  -1.274  -1.556
   35   3HD2  LEU   3          HD23      LEU   3  10.721  -1.778  -0.262
   36    H    ARG   4           H        ARG   4  11.409   0.119  -5.099
   37    HA   ARG   4           HA       ARG   4  11.772   1.323  -6.877
   38   1HB   ARG   4          HB2       ARG   4  11.725  -1.292  -8.415
   39   2HB   ARG   4          HB3       ARG   4  12.467   0.229  -8.938
   40   1HG   ARG   4          HG2       ARG   4  13.940   0.158  -6.880
   41   2HG   ARG   4          HG3       ARG   4  13.286  -1.453  -6.532
   42   1HD   ARG   4          HD2       ARG   4  14.073  -2.207  -8.794
   43   2HD   ARG   4          HD3       ARG   4  14.832  -0.632  -9.035
   44    HE   ARG   4           HE       ARG   4  15.652  -2.816  -7.232
   45   1HH1  ARG   4          HH21      ARG   4  16.267   0.575  -8.174
   46   2HH1  ARG   4          HH22      ARG   4  17.905   0.550  -7.624
   47   1HH2  ARG   4          HH11      ARG   4  17.786  -2.788  -6.428
   48   2HH2  ARG   4          HH12      ARG   4  18.763  -1.377  -6.557
   49    H    GLN   5           H        GLN   5   8.886   0.862  -6.151
   50    HA   GLN   5           HA       GLN   5   7.442   1.344  -8.675
   51   1HB   GLN   5          HB2       GLN   5   6.794   1.771  -5.717
   52   2HB   GLN   5          HB3       GLN   5   5.725   2.296  -7.014
   53   1HG   GLN   5          HG2       GLN   5   5.563  -0.055  -7.849
   54   2HG   GLN   5          HG3       GLN   5   6.563  -0.578  -6.476
   55   1HE2  GLN   5          HE22      GLN   5   5.763   0.700  -4.357
   56   2HE2  GLN   5          HE21      GLN   5   4.021   0.943  -4.175
   57    HA   PRO   6           HA       PRO   6   8.691   5.673  -8.434
   58   1HB   PRO   6          HB2       PRO   6   6.992   6.886 -10.146
   59   2HB   PRO   6          HB3       PRO   6   8.307   5.784 -10.674
   60   1HG   PRO   6          HG2       PRO   6   5.362   5.124 -10.310
   61   2HG   PRO   6          HG3       PRO   6   6.415   4.729 -11.704
   62   1HD   PRO   6          HD2       PRO   6   5.899   2.967  -9.633
   63   2HD   PRO   6          HD3       PRO   6   7.441   2.965 -10.545
   64    H    MET   7           H        MET   7   8.167   7.279  -7.094
   65    HA   MET   7           HA       MET   7   6.201   7.507  -5.202
   66   1HB   MET   7          HB2       MET   7   8.309   8.815  -5.548
   67   2HB   MET   7          HB3       MET   7   7.484   9.786  -6.772
   68   1HG   MET   7          HG2       MET   7   5.832  10.465  -5.029
   69   2HG   MET   7          HG3       MET   7   6.758   9.554  -3.827
   70   1HE   MET   7          HE1       MET   7   9.836  10.285  -4.924
   71   2HE   MET   7          HE2       MET   7  10.179  11.634  -3.833
   72   3HE   MET   7          HE3       MET   7   9.361  10.179  -3.213
   73    HA   PRO   8           HA       PRO   8   2.936   7.983  -8.220
   74   1HB   PRO   8          HB2       PRO   8   0.763   7.186  -6.867
   75   2HB   PRO   8          HB3       PRO   8   2.157   6.106  -7.157
   76   1HG   PRO   8          HG2       PRO   8   1.535   7.709  -4.662
   77   2HG   PRO   8          HG3       PRO   8   1.997   5.983  -4.776
   78   1HD   PRO   8          HD2       PRO   8   3.856   7.969  -4.272
   79   2HD   PRO   8          HD3       PRO   8   4.238   6.447  -5.128
   80    H    GLU   9           H        GLU   9   1.080   9.180  -5.346
   81    HA   GLU   9           HA       GLU   9   0.576  11.729  -6.745
   82   1HB   GLU   9          HB2       GLU   9  -1.769  11.246  -6.959
   83   2HB   GLU   9          HB3       GLU   9  -0.785  10.007  -7.744
   84   1HG   GLU   9          HG2       GLU   9  -1.184   8.526  -5.706
   85   2HG   GLU   9          HG3       GLU   9  -2.431   9.680  -5.232
   86    H    LEU  10           H        LEU  10   1.889  12.217  -4.732
   87    HA   LEU  10           HA       LEU  10   0.496  12.240  -2.175
   88   1HB   LEU  10          HB2       LEU  10   2.988  13.724  -3.119
   89   2HB   LEU  10          HB3       LEU  10   2.351  13.744  -1.491
   90    HG   LEU  10           HG       LEU  10   4.168  12.311  -1.463
   91   1HD1  LEU  10          HD11      LEU  10   3.295  10.179  -0.713
   92   2HD1  LEU  10          HD12      LEU  10   2.188  11.467  -0.214
   93   3HD1  LEU  10          HD13      LEU  10   1.781  10.426  -1.600
   94   1HD2  LEU  10          HD21      LEU  10   4.611  10.430  -2.873
   95   2HD2  LEU  10          HD22      LEU  10   3.075  10.588  -3.724
   96   3HD2  LEU  10          HD23      LEU  10   4.336  11.838  -3.913
   97    H    THR  11           H        THR  11  -1.571  13.228  -2.745
   98    HA   THR  11           HA       THR  11  -1.478  16.132  -2.669
   99    HB   THR  11           HB       THR  11  -1.158  15.601  -5.081
  100    HG1  THR  11           HG1      THR  11  -2.588  17.095  -5.741
  101   1HG2  THR  11          HG21      THR  11  -2.990  14.719  -6.437
  102   2HG2  THR  11          HG22      THR  11  -2.482  13.508  -5.254
  103   3HG2  THR  11          HG23      THR  11  -3.975  14.431  -4.988
  104    H    GLY  12           H        GLY  12  -3.641  17.066  -2.419
  105   1HA   GLY  12          HA2       GLY  12  -6.093  16.013  -2.082
  106   2HA   GLY  12          HA3       GLY  12  -5.273  15.500  -0.610
  107    H    GLU  13           H        GLU  13  -7.247  17.131   0.098
  108    HA   GLU  13           HA       GLU  13  -6.128  19.820   0.531
  109   1HB   GLU  13          HB2       GLU  13  -7.193  19.776  -1.731
  110   2HB   GLU  13          HB3       GLU  13  -8.721  19.311  -0.992
  111   1HG   GLU  13          HG2       GLU  13  -8.704  21.462   0.312
  112   2HG   GLU  13          HG3       GLU  13  -7.142  21.867  -0.395
  113    H    LYS  14           H        LYS  14  -6.175  19.217   2.779
  114    HA   LYS  14           HA       LYS  14  -8.797  19.925   3.998
  115   1HB   LYS  14          HB2       LYS  14  -8.700  17.528   4.288
  116   2HB   LYS  14          HB3       LYS  14  -7.067  17.651   4.973
  117   1HG   LYS  14          HG2       LYS  14  -7.882  18.825   6.922
  118   2HG   LYS  14          HG3       LYS  14  -9.540  18.831   6.271
  119   1HD   LYS  14          HD2       LYS  14  -9.686  16.409   6.425
  120   2HD   LYS  14          HD3       LYS  14  -7.946  16.267   6.666
  121   1HE   LYS  14          HE2       LYS  14  -8.739  15.924   8.800
  122   2HE   LYS  14          HE3       LYS  14  -8.221  17.614   8.812
  123   1HZ   LYS  14          HZ1       LYS  14 -11.031  16.706   8.488
  124   2HZ   LYS  14          HZ2       LYS  14 -10.368  17.209   9.892
  125   3HZ   LYS  14          HZ3       LYS  14 -10.547  18.263   8.638
  126    H    ALA  15           H        ALA  15  -5.225  19.480   4.441
  127    HA   ALA  15           HA       ALA  15  -5.048  22.261   5.256
  128   1HB   ALA  15          HB1       ALA  15  -3.778  21.752   7.375
  129   2HB   ALA  15          HB2       ALA  15  -5.468  21.249   7.458
  130   3HB   ALA  15          HB3       ALA  15  -4.186  20.042   7.203
  131    H    TRP  16           H        TRP  16  -2.814  22.956   5.274
  132    HA   TRP  16           HA       TRP  16  -0.786  21.031   4.386
  133   1HB   TRP  16          HB2       TRP  16   0.199  22.584   2.831
  134   2HB   TRP  16          HB3       TRP  16  -1.404  22.111   2.301
  135    HD1  TRP  16           HD1      TRP  16  -3.173  24.012   1.966
  136    HE1  TRP  16           HE1      TRP  16  -3.067  26.560   1.921
  137    HE3  TRP  16           HE3      TRP  16   1.439  24.651   4.088
  138    HZ2  TRP  16           HZ2      TRP  16  -1.197  28.645   2.715
  139    HZ3  TRP  16           HZ3      TRP  16   2.369  26.927   4.419
  140    HH2  TRP  16           HH2      TRP  16   1.059  28.928   3.738
  141    H    LEU  17           H        LEU  17   1.075  21.396   5.452
  142    HA   LEU  17           HA       LEU  17   1.096  23.548   7.540
  143   1HB   LEU  17          HB2       LEU  17   0.154  21.617   8.526
  144   2HB   LEU  17          HB3       LEU  17   1.268  20.538   7.711
  145    HG   LEU  17           HG       LEU  17   3.132  21.301   9.135
  146   1HD1  LEU  17          HD11      LEU  17   1.008  23.080  10.419
  147   2HD1  LEU  17          HD12      LEU  17   2.594  22.724  11.148
  148   3HD1  LEU  17          HD13      LEU  17   2.505  23.619   9.633
  149   1HD2  LEU  17          HD21      LEU  17   0.624  20.542  10.693
  150   2HD2  LEU  17          HD22      LEU  17   1.657  19.411   9.794
  151   3HD2  LEU  17          HD23      LEU  17   2.307  20.268  11.192
  152    H    ASN  18           H        ASN  18   2.827  24.671   7.332
  153    HA   ASN  18           HA       ASN  18   4.908  25.442   7.105
  154   1HB   ASN  18          HB2       ASN  18   5.947  22.665   6.538
  155   2HB   ASN  18          HB3       ASN  18   6.888  24.111   6.810
  156   1HD2  ASN  18          HD22      ASN  18   6.082  21.362   8.282
  157   2HD2  ASN  18          HD21      ASN  18   6.151  21.868   9.962
  158    H    GLY  19           H        GLY  19   3.662  23.132   4.755
  159   1HA   GLY  19          HA2       GLY  19   3.478  24.837   2.575
  160   2HA   GLY  19          HA3       GLY  19   5.090  24.107   2.454
  161    H    GLU  20           H        GLU  20   3.623  23.408   0.416
  162    HA   GLU  20           HA       GLU  20   3.166  20.553   0.843
  163   1HB   GLU  20          HB2       GLU  20   1.195  20.619  -0.613
  164   2HB   GLU  20          HB3       GLU  20   0.999  21.529   0.878
  165   1HG   GLU  20          HG2       GLU  20  -0.108  22.744  -0.813
  166   2HG   GLU  20          HG3       GLU  20   1.296  23.665  -0.316
  167    H    VAL  21           H        VAL  21   3.507  19.370  -1.267
  168    HA   VAL  21           HA       VAL  21   5.165  20.793  -3.223
  169    HB   VAL  21           HB       VAL  21   6.475  18.356  -2.104
  170   1HG1  VAL  21          HG11      VAL  21   8.519  19.730  -2.492
  171   2HG1  VAL  21          HG12      VAL  21   7.495  19.627  -3.918
  172   3HG1  VAL  21          HG13      VAL  21   7.493  21.109  -2.936
  173   1HG2  VAL  21          HG21      VAL  21   5.975  19.297   0.062
  174   2HG2  VAL  21          HG22      VAL  21   7.684  19.500  -0.308
  175   3HG2  VAL  21          HG23      VAL  21   6.604  20.896  -0.446
  176    H    THR  22           H        THR  22   6.001  19.078  -4.877
  177    HA   THR  22           HA       THR  22   4.165  16.772  -5.228
  178    HB   THR  22           HB       THR  22   4.548  17.295  -7.729
  179    HG1  THR  22           HG1      THR  22   4.875  19.438  -8.219
  180   1HG2  THR  22          HG21      THR  22   2.408  17.429  -6.583
  181   2HG2  THR  22          HG22      THR  22   2.768  19.099  -6.073
  182   3HG2  THR  22          HG23      THR  22   2.577  18.705  -7.808
  183    H    ARG  23           H        ARG  23   5.109  15.017  -6.311
  184    HA   ARG  23           HA       ARG  23   7.754  14.366  -5.811
  185   1HB   ARG  23          HB2       ARG  23   7.505  12.590  -7.392
  186   2HB   ARG  23          HB3       ARG  23   6.005  12.775  -6.491
  187   1HG   ARG  23          HG2       ARG  23   5.024  14.003  -8.465
  188   2HG   ARG  23          HG3       ARG  23   6.524  13.674  -9.362
  189   1HD   ARG  23          HD2       ARG  23   6.163  11.244  -9.065
  190   2HD   ARG  23          HD3       ARG  23   4.638  11.577  -8.216
  191    HE   ARG  23           HE       ARG  23   4.463  12.932 -10.645
  192   1HH1  ARG  23          HH21      ARG  23   4.739   9.550  -9.605
  193   2HH1  ARG  23          HH22      ARG  23   4.046   8.904 -11.059
  194   1HH2  ARG  23          HH11      ARG  23   3.472  12.083 -12.533
  195   2HH2  ARG  23          HH12      ARG  23   3.268  10.387 -12.731
  196    H    GLU  24           H        GLU  24   6.432  16.183  -8.644
  197    HA   GLU  24           HA       GLU  24   8.951  15.928 -10.021
  198   1HB   GLU  24          HB2       GLU  24   7.990  17.501 -11.655
  199   2HB   GLU  24          HB3       GLU  24   6.805  16.278 -11.196
  200   1HG   GLU  24          HG2       GLU  24   5.722  17.892  -9.652
  201   2HG   GLU  24          HG3       GLU  24   6.907  19.120 -10.072
  202    H    GLN  25           H        GLN  25   8.053  18.082  -7.471
  203    HA   GLN  25           HA       GLN  25  10.259  19.988  -8.100
  204   1HB   GLN  25          HB2       GLN  25   8.101  19.908  -5.966
  205   2HB   GLN  25          HB3       GLN  25   9.387  21.119  -6.020
  206   1HG   GLN  25          HG2       GLN  25   8.574  21.891  -8.225
  207   2HG   GLN  25          HG3       GLN  25   7.287  20.682  -8.188
  208   1HE2  GLN  25          HE22      GLN  25   5.545  20.908  -6.613
  209   2HE2  GLN  25          HE21      GLN  25   5.236  22.456  -5.843
  210    H    LEU  26           H        LEU  26   9.428  17.184  -6.136
  211    HA   LEU  26           HA       LEU  26  11.432  17.607  -4.071
  212   1HB   LEU  26          HB2       LEU  26   9.429  15.460  -4.873
  213   2HB   LEU  26          HB3       LEU  26  10.637  15.122  -3.628
  214    HG   LEU  26           HG       LEU  26   8.689  17.452  -3.506
  215   1HD1  LEU  26          HD11      LEU  26   7.469  15.305  -3.573
  216   2HD1  LEU  26          HD12      LEU  26   8.449  14.693  -2.232
  217   3HD1  LEU  26          HD13      LEU  26   7.347  16.065  -1.979
  218   1HD2  LEU  26          HD21      LEU  26   9.243  17.568  -1.171
  219   2HD2  LEU  26          HD22      LEU  26  10.256  16.108  -1.276
  220   3HD2  LEU  26          HD23      LEU  26  10.751  17.628  -2.062
  221    H    ILE  27           H        ILE  27  10.990  15.408  -6.880
  222    HA   ILE  27           HA       ILE  27  13.728  14.378  -6.455
  223    HB   ILE  27           HB       ILE  27  12.807  12.849  -8.439
  224   1HG1  ILE  27          HG12      ILE  27  10.232  13.373  -6.947
  225   2HG1  ILE  27          HG13      ILE  27  10.615  13.878  -8.628
  226   1HG2  ILE  27          HG21      ILE  27  12.494  11.157  -6.784
  227   2HG2  ILE  27          HG22      ILE  27  13.672  12.249  -6.106
  228   3HG2  ILE  27          HG23      ILE  27  11.990  12.354  -5.547
  229   1HD1  ILE  27          HD11      ILE  27  11.001  11.405  -9.103
  230   2HD1  ILE  27          HD12      ILE  27  10.219  11.105  -7.527
  231   3HD1  ILE  27          HD13      ILE  27   9.325  11.917  -8.821
  232    H    GLY  28           H        GLY  28  14.780  13.619  -8.578
  233   1HA   GLY  28          HA2       GLY  28  15.378  14.202 -10.813
  234   2HA   GLY  28          HA3       GLY  28  14.958  15.893 -10.493
  235    H    GLU  29           H        GLU  29  16.350  15.269  -7.676
  236    HA   GLU  29           HA       GLU  29  19.155  15.736  -8.599
  237   1HB   GLU  29          HB2       GLU  29  17.685  17.811  -8.493
  238   2HB   GLU  29          HB3       GLU  29  17.485  17.515  -6.779
  239   1HG   GLU  29          HG2       GLU  29  19.186  19.189  -7.034
  240   2HG   GLU  29          HG3       GLU  29  20.006  17.727  -6.512
  241    H    LYS  30           H        LYS  30  16.991  15.340  -5.709
  242    HA   LYS  30           HA       LYS  30  19.230  14.016  -4.246
  243   1HB   LYS  30          HB2       LYS  30  17.271  16.153  -3.326
  244   2HB   LYS  30          HB3       LYS  30  18.238  15.196  -2.201
  245   1HG   LYS  30          HG2       LYS  30  20.264  16.211  -2.899
  246   2HG   LYS  30          HG3       LYS  30  19.549  16.813  -4.398
  247   1HD   LYS  30          HD2       LYS  30  19.890  18.647  -2.843
  248   2HD   LYS  30          HD3       LYS  30  18.178  18.421  -3.210
  249   1HE   LYS  30          HE2       LYS  30  17.891  17.216  -1.028
  250   2HE   LYS  30          HE3       LYS  30  19.605  17.494  -0.684
  251   1HZ   LYS  30          HZ1       LYS  30  19.140  19.893  -0.767
  252   2HZ   LYS  30          HZ2       LYS  30  17.550  19.606  -1.010
  253   3HZ   LYS  30          HZ3       LYS  30  18.255  19.166   0.400
  254    HA   PRO  31           HA       PRO  31  16.100  10.837  -3.391
  255   1HB   PRO  31          HB2       PRO  31  17.566  10.965  -0.728
  256   2HB   PRO  31          HB3       PRO  31  16.936   9.513  -1.567
  257   1HG   PRO  31          HG2       PRO  31  19.524  10.092  -1.830
  258   2HG   PRO  31          HG3       PRO  31  18.578   9.740  -3.311
  259   1HD   PRO  31          HD2       PRO  31  19.361  12.449  -2.192
  260   2HD   PRO  31          HD3       PRO  31  19.456  11.859  -3.875
  261    H    THR  32           H        THR  32  14.356  10.418  -1.805
  262    HA   THR  32           HA       THR  32  13.508  12.824  -0.274
  263    HB   THR  32           HB       THR  32  11.815  11.273  -2.266
  264    HG1  THR  32           HG1      THR  32  13.230  12.755  -3.233
  265   1HG2  THR  32          HG21      THR  32  10.114  13.066  -1.855
  266   2HG2  THR  32          HG22      THR  32  10.353  12.003  -0.469
  267   3HG2  THR  32          HG23      THR  32  11.076  13.626  -0.469
  268    H    LEU  33           H        LEU  33  12.302  12.400   1.527
  269    HA   LEU  33           HA       LEU  33  11.742   9.579   2.303
  270   1HB   LEU  33          HB2       LEU  33  13.580  10.347   3.638
  271   2HB   LEU  33          HB3       LEU  33  12.847  11.944   3.869
  272    HG   LEU  33           HG       LEU  33  11.162  11.044   5.354
  273   1HD1  LEU  33          HD11      LEU  33  12.375   8.274   4.927
  274   2HD1  LEU  33          HD12      LEU  33  11.093   8.711   6.089
  275   3HD1  LEU  33          HD13      LEU  33  10.774   8.783   4.374
  276   1HD2  LEU  33          HD21      LEU  33  13.920   9.947   6.028
  277   2HD2  LEU  33          HD22      LEU  33  13.360  11.614   6.307
  278   3HD2  LEU  33          HD23      LEU  33  12.629  10.267   7.192
  279    H    ILE  34           H        ILE  34   9.598   9.295   2.603
  280    HA   ILE  34           HA       ILE  34   7.896  11.658   3.204
  281    HB   ILE  34           HB       ILE  34   7.020   9.121   1.795
  282   1HG1  ILE  34          HG12      ILE  34   7.716  11.842   0.588
  283   2HG1  ILE  34          HG13      ILE  34   8.585  10.332   0.326
  284   1HG2  ILE  34          HG21      ILE  34   5.258  10.328   3.089
  285   2HG2  ILE  34          HG22      ILE  34   5.622  11.814   2.189
  286   3HG2  ILE  34          HG23      ILE  34   4.947  10.393   1.366
  287   1HD1  ILE  34          HD11      ILE  34   6.484   9.367  -0.683
  288   2HD1  ILE  34          HD12      ILE  34   5.817  11.013  -0.652
  289   3HD1  ILE  34          HD13      ILE  34   7.274  10.671  -1.595
  290    H    HIS  35           H        HIS  35   6.779  11.489   5.117
  291    HA   HIS  35           HA       HIS  35   6.824   8.853   6.506
  292   1HB   HIS  35          HB2       HIS  35   6.268  11.431   7.955
  293   2HB   HIS  35          HB3       HIS  35   6.749   9.879   8.609
  294    HD1  HIS  35           HD1      HIS  35   9.372   9.754   9.176
  295    HD2  HIS  35           HD2      HIS  35   8.163  12.877   6.650
  296    HE1  HIS  35           HE1      HIS  35  11.374  11.289   8.911
  297    H    PHE  36           H        PHE  36   4.894   8.247   7.600
  298    HA   PHE  36           HA       PHE  36   2.364   9.677   6.927
  299   1HB   PHE  36          HB2       PHE  36   2.875   6.689   6.807
  300   2HB   PHE  36          HB3       PHE  36   1.316   7.482   6.640
  301    HD1  PHE  36           HD1      PHE  36   0.694   8.640   4.566
  302    HD2  PHE  36           HD2      PHE  36   4.606   6.886   5.020
  303    HE1  PHE  36           HE1      PHE  36   1.141   8.989   2.148
  304    HE2  PHE  36           HE2      PHE  36   5.032   7.216   2.591
  305    HZ   PHE  36           HZ       PHE  36   3.298   8.271   1.158
  306    H    TRP  37           H        TRP  37   1.621  10.327   8.985
  307    HA   TRP  37           HA       TRP  37   2.058   8.506  11.300
  308   1HB   TRP  37          HB2       TRP  37   3.212  10.263  12.544
  309   2HB   TRP  37          HB3       TRP  37   4.111   9.816  11.109
  310    HD1  TRP  37           HD1      TRP  37   3.774  11.546   8.958
  311    HE1  TRP  37           HE1      TRP  37   3.454  14.096   8.898
  312    HE3  TRP  37           HE3      TRP  37   2.779  12.339  13.902
  313    HZ2  TRP  37           HZ2      TRP  37   2.770  16.220  10.789
  314    HZ3  TRP  37           HZ3      TRP  37   2.514  14.632  14.772
  315    HH2  TRP  37           HH2      TRP  37   2.380  16.569  13.217
  316    H    SER  38           H        SER  38   1.173   9.712  13.373
  317    HA   SER  38           HA       SER  38  -1.440  11.002  12.834
  318   1HB   SER  38          HB2       SER  38  -2.012   8.688  12.729
  319   2HB   SER  38          HB3       SER  38  -0.820   8.260  13.962
  320    HG   SER  38           HG       SER  38  -3.386   9.400  14.291
  321    H    ILE  39           H        ILE  39  -1.814  12.547  14.557
  322    HA   ILE  39           HA       ILE  39   0.104  12.688  16.733
  323    HB   ILE  39           HB       ILE  39  -1.193  14.442  17.697
  324   1HG1  ILE  39          HG12      ILE  39  -3.310  14.025  15.574
  325   2HG1  ILE  39          HG13      ILE  39  -3.508  13.623  17.285
  326   1HG2  ILE  39          HG21      ILE  39  -0.846  16.089  16.058
  327   2HG2  ILE  39          HG22      ILE  39   0.290  14.806  15.627
  328   3HG2  ILE  39          HG23      ILE  39  -1.235  15.004  14.730
  329   1HD1  ILE  39          HD11      ILE  39  -3.162  16.386  16.074
  330   2HD1  ILE  39          HD12      ILE  39  -4.582  15.715  16.886
  331   3HD1  ILE  39          HD13      ILE  39  -3.112  16.048  17.823
  332    H    SER  40           H        SER  40  -2.482  10.582  16.199
  333    HA   SER  40           HA       SER  40  -3.385  10.394  18.959
  334   1HB   SER  40          HB2       SER  40  -4.127   8.576  16.648
  335   2HB   SER  40          HB3       SER  40  -5.077   8.986  18.078
  336    HG   SER  40           HG       SER  40  -4.918  10.183  15.673
  337    H    CYS  41           H        CYS  41  -0.626   9.134  17.450
  338    HA   CYS  41           HA       CYS  41  -0.790   6.528  18.920
  339   1HB   CYS  41          HB2       CYS  41   0.453   7.124  16.209
  340   2HB   CYS  41          HB3       CYS  41   0.409   5.548  17.021
  341    HG   CYS  41           HG       CYS  41  -2.025   7.433  15.784
  342    H    HIS  42           H        HIS  42   0.873   6.139  20.317
  343    HA   HIS  42           HA       HIS  42   2.595   8.214  21.008
  344   1HB   HIS  42          HB2       HIS  42   3.575   6.698  22.616
  345   2HB   HIS  42          HB3       HIS  42   1.829   6.518  22.582
  346    HD1  HIS  42           HD1      HIS  42   0.905   4.073  21.810
  347    HD2  HIS  42           HD2      HIS  42   5.083   4.614  21.764
  348    HE1  HIS  42           HE1      HIS  42   1.920   1.771  21.468
  349    H    LEU  43           H        LEU  43   3.433   5.336  19.038
  350    HA   LEU  43           HA       LEU  43   6.234   5.940  18.980
  351   1HB   LEU  43          HB2       LEU  43   4.424   4.142  17.420
  352   2HB   LEU  43          HB3       LEU  43   5.853   4.678  16.545
  353    HG   LEU  43           HG       LEU  43   6.095   3.469  19.307
  354   1HD1  LEU  43          HD11      LEU  43   4.992   1.823  17.851
  355   2HD1  LEU  43          HD12      LEU  43   6.230   2.061  16.601
  356   3HD1  LEU  43          HD13      LEU  43   6.665   1.344  18.166
  357   1HD2  LEU  43          HD21      LEU  43   8.067   4.758  18.460
  358   2HD2  LEU  43          HD22      LEU  43   8.408   3.027  18.565
  359   3HD2  LEU  43          HD23      LEU  43   8.079   3.767  16.986
  360    H    CYS  44           H        CYS  44   3.511   7.293  17.142
  361    HA   CYS  44           HA       CYS  44   5.163   8.669  15.188
  362   1HB   CYS  44          HB2       CYS  44   2.437   9.454  16.289
  363   2HB   CYS  44          HB3       CYS  44   3.236  10.150  14.890
  364    HG   CYS  44           HG       CYS  44   2.381   6.974  15.316
  365    H    LYS  45           H        LYS  45   3.900   9.490  18.490
  366    HA   LYS  45           HA       LYS  45   4.954  12.163  18.379
  367   1HB   LYS  45          HB2       LYS  45   4.596  10.580  20.928
  368   2HB   LYS  45          HB3       LYS  45   4.499  12.337  20.663
  369   1HG   LYS  45          HG2       LYS  45   2.488  10.223  19.823
  370   2HG   LYS  45          HG3       LYS  45   2.255  11.413  21.071
  371   1HD   LYS  45          HD2       LYS  45   2.788  12.509  18.304
  372   2HD   LYS  45          HD3       LYS  45   1.326  11.580  18.514
  373   1HE   LYS  45          HE2       LYS  45   0.796  13.897  18.864
  374   2HE   LYS  45          HE3       LYS  45   0.597  13.018  20.376
  375   1HZ   LYS  45          HZ1       LYS  45   1.725  15.139  20.686
  376   2HZ   LYS  45          HZ2       LYS  45   2.714  13.930  21.121
  377   3HZ   LYS  45          HZ3       LYS  45   2.951  14.713  19.691
  378    H    GLU  46           H        GLU  46   6.564   9.144  19.002
  379    HA   GLU  46           HA       GLU  46   8.942  10.472  20.158
  380   1HB   GLU  46          HB2       GLU  46   8.334   7.610  19.297
  381   2HB   GLU  46          HB3       GLU  46   9.812   8.112  20.115
  382   1HG   GLU  46          HG2       GLU  46   7.031   8.555  21.335
  383   2HG   GLU  46          HG3       GLU  46   7.941   7.064  21.540
  384    H    ALA  47           H        ALA  47   7.828   9.036  17.075
  385    HA   ALA  47           HA       ALA  47  10.287   9.396  15.656
  386   1HB   ALA  47          HB1       ALA  47   8.335   8.007  14.813
  387   2HB   ALA  47          HB2       ALA  47   7.418   9.508  14.576
  388   3HB   ALA  47          HB3       ALA  47   8.893   9.219  13.640
  389    H    MET  48           H        MET  48   7.436  11.550  16.170
  390    HA   MET  48           HA       MET  48   8.257  13.476  14.450
  391   1HB   MET  48          HB2       MET  48   6.560  13.696  16.965
  392   2HB   MET  48          HB3       MET  48   6.790  15.028  15.819
  393   1HG   MET  48          HG2       MET  48   4.991  12.809  15.654
  394   2HG   MET  48          HG3       MET  48   5.042  14.250  14.698
  395   1HE   MET  48          HE1       MET  48   5.622  14.174  11.980
  396   2HE   MET  48          HE2       MET  48   7.197  14.396  12.772
  397   3HE   MET  48          HE3       MET  48   6.991  13.188  11.472
  398    HA   PRO  49           HA       PRO  49  11.014  15.888  17.471
  399   1HB   PRO  49          HB2       PRO  49  12.279  14.334  19.429
  400   2HB   PRO  49          HB3       PRO  49  10.924  15.480  19.705
  401   1HG   PRO  49          HG2       PRO  49  10.869  12.495  19.393
  402   2HG   PRO  49          HG3       PRO  49   9.898  13.511  20.495
  403   1HD   PRO  49          HD2       PRO  49   8.872  12.537  18.181
  404   2HD   PRO  49          HD3       PRO  49   8.423  14.156  18.774
  405    H    GLN  50           H        GLN  50  11.610  12.303  16.920
  406    HA   GLN  50           HA       GLN  50  14.365  12.913  16.351
  407   1HB   GLN  50          HB2       GLN  50  13.286  10.620  16.986
  408   2HB   GLN  50          HB3       GLN  50  13.115  10.407  15.242
  409   1HG   GLN  50          HG2       GLN  50  15.769  11.384  16.373
  410   2HG   GLN  50          HG3       GLN  50  15.316   9.709  16.662
  411   1HE2  GLN  50          HE22      GLN  50  14.448   8.562  14.537
  412   2HE2  GLN  50          HE21      GLN  50  15.576   8.664  13.206
  413    H    VAL  51           H        VAL  51  11.476  12.805  14.353
  414    HA   VAL  51           HA       VAL  51  12.553  13.076  11.757
  415    HB   VAL  51           HB       VAL  51   9.969  14.051  13.044
  416   1HG1  VAL  51          HG11      VAL  51  10.307  15.453  11.115
  417   2HG1  VAL  51          HG12      VAL  51  10.643  14.039  10.098
  418   3HG1  VAL  51          HG13      VAL  51   9.023  14.286  10.796
  419   1HG2  VAL  51          HG21      VAL  51  10.455  11.478  12.698
  420   2HG2  VAL  51          HG22      VAL  51   8.894  12.158  12.227
  421   3HG2  VAL  51          HG23      VAL  51  10.142  11.844  11.013
  422    H    ASN  52           H        ASN  52  11.931  15.490  14.408
  423    HA   ASN  52           HA       ASN  52  12.580  17.782  12.887
  424   1HB   ASN  52          HB2       ASN  52  12.032  18.711  14.796
  425   2HB   ASN  52          HB3       ASN  52  12.036  17.186  15.633
  426   1HD2  ASN  52          HD22      ASN  52  13.914  16.609  16.926
  427   2HD2  ASN  52          HD21      ASN  52  15.118  17.812  17.347
  428    H    GLU  53           H        GLU  53  14.782  15.631  14.840
  429    HA   GLU  53           HA       GLU  53  17.038  17.256  13.948
  430   1HB   GLU  53          HB2       GLU  53  18.491  15.679  15.040
  431   2HB   GLU  53          HB3       GLU  53  17.201  16.223  16.108
  432   1HG   GLU  53          HG2       GLU  53  16.054  14.127  15.936
  433   2HG   GLU  53          HG3       GLU  53  17.110  13.566  14.633
  434    H    PHE  54           H        PHE  54  15.406  14.396  12.660
  435    HA   PHE  54           HA       PHE  54  17.512  13.468  10.971
  436   1HB   PHE  54          HB2       PHE  54  15.262  12.387  11.763
  437   2HB   PHE  54          HB3       PHE  54  14.542  13.227  10.405
  438    HD1  PHE  54           HD1      PHE  54  16.362  10.389  11.593
  439    HD2  PHE  54           HD2      PHE  54  15.506  12.680   8.040
  440    HE1  PHE  54           HE1      PHE  54  16.820   8.410  10.214
  441    HE2  PHE  54           HE2      PHE  54  16.071  10.725   6.654
  442    HZ   PHE  54           HZ       PHE  54  16.712   8.554   7.730
  443    H    ARG  55           H        ARG  55  14.762  15.686  10.562
  444    HA   ARG  55           HA       ARG  55  15.229  16.391   7.900
  445   1HB   ARG  55          HB2       ARG  55  13.166  16.967   8.780
  446   2HB   ARG  55          HB3       ARG  55  13.812  17.660  10.238
  447   1HG   ARG  55          HG2       ARG  55  14.009  18.974   7.491
  448   2HG   ARG  55          HG3       ARG  55  12.719  19.250   8.650
  449   1HD   ARG  55          HD2       ARG  55  15.590  20.163   8.841
  450   2HD   ARG  55          HD3       ARG  55  14.101  21.095   8.907
  451    HE   ARG  55           HE       ARG  55  14.635  19.106  11.049
  452   1HH1  ARG  55          HH12      ARG  55  14.618  22.578  10.236
  453   2HH1  ARG  55          HH11      ARG  55  14.373  23.072  11.874
  454   1HH2  ARG  55          HH21      ARG  55  14.479  19.794  13.184
  455   2HH2  ARG  55          HH22      ARG  55  13.976  21.414  13.552
  456    H    ASP  56           H        ASP  56  16.722  17.735  10.926
  457    HA   ASP  56           HA       ASP  56  18.076  19.824   9.422
  458   1HB   ASP  56          HB2       ASP  56  17.598  20.070  11.779
  459   2HB   ASP  56          HB3       ASP  56  18.564  18.633  12.156
  460    H    LYS  57           H        LYS  57  18.951  16.592  10.686
  461    HA   LYS  57           HA       LYS  57  21.649  16.696  10.122
  462   1HB   LYS  57          HB2       LYS  57  19.706  14.377  10.320
  463   2HB   LYS  57          HB3       LYS  57  21.401  14.087   9.941
  464   1HG   LYS  57          HG2       LYS  57  22.156  15.119  11.991
  465   2HG   LYS  57          HG3       LYS  57  20.527  15.583  12.443
  466   1HD   LYS  57          HD2       LYS  57  21.586  12.728  12.199
  467   2HD   LYS  57          HD3       LYS  57  21.280  13.622  13.696
  468   1HE   LYS  57          HE2       LYS  57  18.845  13.805  12.962
  469   2HE   LYS  57          HE3       LYS  57  19.232  12.654  11.667
  470   1HZ   LYS  57          HZ1       LYS  57  19.889  11.069  13.401
  471   2HZ   LYS  57          HZ2       LYS  57  19.421  12.156  14.579
  472   3HZ   LYS  57          HZ3       LYS  57  18.313  11.512  13.578
  473    H    TYR  58           H        TYR  58  18.975  15.894   7.908
  474    HA   TYR  58           HA       TYR  58  20.994  15.470   5.755
  475   1HB   TYR  58          HB2       TYR  58  18.384  13.995   6.194
  476   2HB   TYR  58          HB3       TYR  58  19.540  13.709   4.895
  477    HD1  TYR  58           HD1      TYR  58  18.541  12.544   8.071
  478    HD2  TYR  58           HD2      TYR  58  22.073  13.318   5.715
  479    HE1  TYR  58           HE1      TYR  58  19.857  11.059   9.555
  480    HE2  TYR  58           HE2      TYR  58  23.404  11.884   7.218
  481    HH   TYR  58           HH       TYR  58  23.423  10.712   9.248
  482    H    GLN  59           H        GLN  59  18.615  17.779   6.489
  483    HA   GLN  59           HA       GLN  59  17.238  17.995   4.127
  484   1HB   GLN  59          HB2       GLN  59  17.285  20.525   4.464
  485   2HB   GLN  59          HB3       GLN  59  16.601  19.523   5.718
  486   1HG   GLN  59          HG2       GLN  59  17.901  21.380   6.643
  487   2HG   GLN  59          HG3       GLN  59  18.527  19.834   7.148
  488   1HE2  GLN  59          HE22      GLN  59  20.712  19.762   7.248
  489   2HE2  GLN  59          HE21      GLN  59  21.791  20.633   6.174
  490    H    ASP  60           H        ASP  60  20.631  18.541   4.352
  491    HA   ASP  60           HA       ASP  60  20.922  20.101   1.929
  492   1HB   ASP  60          HB2       ASP  60  22.518  20.189   3.802
  493   2HB   ASP  60          HB3       ASP  60  22.928  18.492   3.554
  494    H    GLN  61           H        GLN  61  20.375  16.729   2.474
  495    HA   GLN  61           HA       GLN  61  21.463  15.958  -0.212
  496   1HB   GLN  61          HB2       GLN  61  21.627  14.486   2.444
  497   2HB   GLN  61          HB3       GLN  61  22.231  13.890   0.891
  498   1HG   GLN  61          HG2       GLN  61  23.837  15.805   0.794
  499   2HG   GLN  61          HG3       GLN  61  23.313  16.298   2.408
  500   1HE2  GLN  61          HE22      GLN  61  23.945  15.025   4.258
  501   2HE2  GLN  61          HE21      GLN  61  25.147  13.768   4.129
  502    H    LEU  62           H        LEU  62  18.756  15.956   1.890
  503    HA   LEU  62           HA       LEU  62  17.353  13.780   0.447
  504   1HB   LEU  62          HB2       LEU  62  18.399  12.872   2.543
  505   2HB   LEU  62          HB3       LEU  62  17.677  14.197   3.452
  506    HG   LEU  62           HG       LEU  62  15.387  13.314   2.764
  507   1HD1  LEU  62          HD11      LEU  62  17.048  10.867   2.003
  508   2HD1  LEU  62          HD12      LEU  62  15.280  10.915   2.142
  509   3HD1  LEU  62          HD13      LEU  62  16.083  11.865   0.894
  510   1HD2  LEU  62          HD21      LEU  62  15.435  11.561   4.511
  511   2HD2  LEU  62          HD22      LEU  62  17.208  11.642   4.499
  512   3HD2  LEU  62          HD23      LEU  62  16.259  13.049   5.002
  513    H    ASN  63           H        ASN  63  15.324  14.459  -0.019
  514    HA   ASN  63           HA       ASN  63  14.276  17.021   1.059
  515   1HB   ASN  63          HB2       ASN  63  12.987  14.985  -0.821
  516   2HB   ASN  63          HB3       ASN  63  12.332  16.550  -0.362
  517   1HD2  ASN  63          HD22      ASN  63  15.066  14.965  -2.058
  518   2HD2  ASN  63          HD21      ASN  63  15.229  16.246  -3.232
  519    H    VAL  64           H        VAL  64  12.571  17.018   2.611
  520    HA   VAL  64           HA       VAL  64  11.620  14.369   3.564
  521    HB   VAL  64           HB       VAL  64  12.102  16.735   5.422
  522   1HG1  VAL  64          HG11      VAL  64  12.032  14.973   7.122
  523   2HG1  VAL  64          HG12      VAL  64  10.581  14.889   6.106
  524   3HG1  VAL  64          HG13      VAL  64  11.893  13.723   5.865
  525   1HG2  VAL  64          HG21      VAL  64  14.088  14.494   4.797
  526   2HG2  VAL  64          HG22      VAL  64  14.359  16.242   4.598
  527   3HG2  VAL  64          HG23      VAL  64  14.171  15.564   6.212
  528    H    VAL  65           H        VAL  65   9.428  14.269   3.514
  529    HA   VAL  65           HA       VAL  65   7.832  16.662   4.015
  530    HB   VAL  65           HB       VAL  65   6.302  16.228   2.126
  531   1HG1  VAL  65          HG11      VAL  65   7.546  17.199   0.351
  532   2HG1  VAL  65          HG12      VAL  65   8.101  17.917   1.874
  533   3HG1  VAL  65          HG13      VAL  65   9.097  16.697   1.059
  534   1HG2  VAL  65          HG21      VAL  65   6.951  14.809   0.223
  535   2HG2  VAL  65          HG22      VAL  65   8.415  14.281   1.077
  536   3HG2  VAL  65          HG23      VAL  65   6.807  13.836   1.687
  537    H    ALA  66           H        ALA  66   5.477  15.880   4.498
  538    HA   ALA  66           HA       ALA  66   5.322  12.969   4.979
  539   1HB   ALA  66          HB1       ALA  66   4.646  13.212   7.307
  540   2HB   ALA  66          HB2       ALA  66   6.250  13.903   7.092
  541   3HB   ALA  66          HB3       ALA  66   4.844  14.976   7.223
  542    H    VAL  67           H        VAL  67   3.184  12.356   5.872
  543    HA   VAL  67           HA       VAL  67   0.942  14.044   4.904
  544    HB   VAL  67           HB       VAL  67   1.181  11.034   4.506
  545   1HG1  VAL  67          HG11      VAL  67  -0.763  11.329   3.029
  546   2HG1  VAL  67          HG12      VAL  67  -1.128  11.916   4.646
  547   3HG1  VAL  67          HG13      VAL  67  -0.767  13.078   3.353
  548   1HG2  VAL  67          HG21      VAL  67   1.743  13.241   2.491
  549   2HG2  VAL  67          HG22      VAL  67   2.833  11.934   3.005
  550   3HG2  VAL  67          HG23      VAL  67   1.406  11.552   2.045
  551    H    HIS  68           H        HIS  68  -0.785  13.995   6.387
  552    HA   HIS  68           HA       HIS  68  -0.190  12.514   8.901
  553   1HB   HIS  68          HB2       HIS  68  -0.503  15.096   8.783
  554   2HB   HIS  68          HB3       HIS  68  -2.227  14.716   8.706
  555    HD1  HIS  68           HD1      HIS  68   0.772  14.524  11.067
  556    HD2  HIS  68           HD2      HIS  68  -3.261  13.332  10.875
  557    HE1  HIS  68           HE1      HIS  68   0.141  13.762  13.385
  558    H    MET  69           H        MET  69  -1.190  10.642   9.092
  559    HA   MET  69           HA       MET  69  -3.520   9.853   7.537
  560   1HB   MET  69          HB2       MET  69  -1.774   8.245   8.122
  561   2HB   MET  69          HB3       MET  69  -1.975   8.625   9.834
  562   1HG   MET  69          HG2       MET  69  -2.989   6.517   9.396
  563   2HG   MET  69          HG3       MET  69  -4.240   7.674   9.807
  564   1HE   MET  69          HE1       MET  69  -5.901   5.730   9.065
  565   2HE   MET  69          HE2       MET  69  -5.852   4.965   7.460
  566   3HE   MET  69          HE3       MET  69  -4.502   4.740   8.600
  567    HA   PRO  70           HA       PRO  70  -6.211  11.378  10.932
  568   1HB   PRO  70          HB2       PRO  70  -8.618  11.184   9.740
  569   2HB   PRO  70          HB3       PRO  70  -7.416  12.409   9.225
  570   1HG   PRO  70          HG2       PRO  70  -7.985   9.722   7.931
  571   2HG   PRO  70          HG3       PRO  70  -7.822  11.322   7.144
  572   1HD   PRO  70          HD2       PRO  70  -5.755   9.484   7.373
  573   2HD   PRO  70          HD3       PRO  70  -5.497  11.249   7.282
  574    H    ARG  71           H        ARG  71  -5.198   9.319  11.857
  575    HA   ARG  71           HA       ARG  71  -6.250   6.724  11.218
  576   1HB   ARG  71          HB2       ARG  71  -3.907   7.230  12.012
  577   2HB   ARG  71          HB3       ARG  71  -4.573   7.651  13.582
  578   1HG   ARG  71          HG2       ARG  71  -3.595   5.477  13.660
  579   2HG   ARG  71          HG3       ARG  71  -5.318   5.367  13.967
  580   1HD   ARG  71          HD2       ARG  71  -4.153   4.879  11.208
  581   2HD   ARG  71          HD3       ARG  71  -4.181   3.609  12.449
  582    HE   ARG  71           HE       ARG  71  -6.773   4.749  12.287
  583   1HH1  ARG  71          HH21      ARG  71  -4.671   2.492  10.519
  584   2HH1  ARG  71          HH22      ARG  71  -5.974   1.691   9.720
  585   1HH2  ARG  71          HH11      ARG  71  -8.493   3.702  11.217
  586   2HH2  ARG  71          HH12      ARG  71  -8.201   2.394  10.137
  587    H    SER  72           H        SER  72  -7.196   9.214  13.525
  588    HA   SER  72           HA       SER  72  -9.192   7.404  14.783
  589   1HB   SER  72          HB2       SER  72  -7.123   9.079  16.262
  590   2HB   SER  72          HB3       SER  72  -8.382   8.079  17.005
  591    HG   SER  72           HG       SER  72  -7.368   6.243  16.201
  592    H    GLU  73           H        GLU  73  -9.560   9.657  16.822
  593    HA   GLU  73           HA       GLU  73 -11.018  11.553  15.042
  594   1HB   GLU  73          HB2       GLU  73 -11.683  10.541  17.829
  595   2HB   GLU  73          HB3       GLU  73 -12.579  11.792  16.952
  596   1HG   GLU  73          HG2       GLU  73 -13.066  10.177  15.128
  597   2HG   GLU  73          HG3       GLU  73 -12.241   8.906  16.033
  598    H    ASP  74           H        ASP  74  -8.189  11.462  16.714
  599    HA   ASP  74           HA       ASP  74  -8.481  14.193  17.881
  600   1HB   ASP  74          HB2       ASP  74  -7.514  12.305  19.270
  601   2HB   ASP  74          HB3       ASP  74  -6.128  12.297  18.178
  602    H    ASP  75           H        ASP  75  -6.288  12.238  15.810
  603    HA   ASP  75           HA       ASP  75  -5.102  14.436  14.393
  604   1HB   ASP  75          HB2       ASP  75  -4.382  12.633  12.816
  605   2HB   ASP  75          HB3       ASP  75  -3.987  12.284  14.493
  606    H    LEU  76           H        LEU  76  -8.294  13.856  14.425
  607    HA   LEU  76           HA       LEU  76  -8.921  13.974  11.605
  608   1HB   LEU  76          HB2       LEU  76 -10.230  12.734  13.260
  609   2HB   LEU  76          HB3       LEU  76 -10.408  14.190  14.255
  610    HG   LEU  76           HG       LEU  76 -11.738  15.234  12.591
  611   1HD1  LEU  76          HD11      LEU  76 -10.901  14.232  10.487
  612   2HD1  LEU  76          HD12      LEU  76 -11.442  12.624  11.008
  613   3HD1  LEU  76          HD13      LEU  76 -12.629  13.894  10.617
  614   1HD2  LEU  76          HD21      LEU  76 -13.751  13.787  12.820
  615   2HD2  LEU  76          HD22      LEU  76 -12.704  12.415  13.253
  616   3HD2  LEU  76          HD23      LEU  76 -12.808  13.833  14.318
  617    H    ASP  77           H        ASP  77  -7.819  16.186  14.050
  618    HA   ASP  77           HA       ASP  77  -9.186  18.500  12.787
  619   1HB   ASP  77          HB2       ASP  77  -9.646  18.140  15.174
  620   2HB   ASP  77          HB3       ASP  77  -7.918  18.274  15.515
  621    HA   PRO  78           HA       PRO  78  -5.018  19.205  11.244
  622   1HB   PRO  78          HB2       PRO  78  -5.426  21.469   9.805
  623   2HB   PRO  78          HB3       PRO  78  -5.946  19.828   9.286
  624   1HG   PRO  78          HG2       PRO  78  -7.608  21.998  10.598
  625   2HG   PRO  78          HG3       PRO  78  -8.033  20.973   9.188
  626   1HD   PRO  78          HD2       PRO  78  -8.872  20.406  11.736
  627   2HD   PRO  78          HD3       PRO  78  -8.479  19.107  10.570
  628    H    GLY  79           H        GLY  79  -6.741  21.512  13.292
  629   1HA   GLY  79          HA2       GLY  79  -4.556  23.442  13.518
  630   2HA   GLY  79          HA3       GLY  79  -6.028  23.317  14.513
  631    H    LYS  80           H        LYS  80  -5.840  20.540  15.199
  632    HA   LYS  80           HA       LYS  80  -3.935  20.629  17.376
  633   1HB   LYS  80          HB2       LYS  80  -5.354  18.232  16.131
  634   2HB   LYS  80          HB3       LYS  80  -4.363  18.195  17.595
  635   1HG   LYS  80          HG2       LYS  80  -5.890  19.739  18.734
  636   2HG   LYS  80          HG3       LYS  80  -6.925  19.800  17.289
  637   1HD   LYS  80          HD2       LYS  80  -7.239  17.337  17.421
  638   2HD   LYS  80          HD3       LYS  80  -6.210  17.269  18.851
  639   1HE   LYS  80          HE2       LYS  80  -7.783  18.708  20.086
  640   2HE   LYS  80          HE3       LYS  80  -8.790  18.901  18.641
  641   1HZ   LYS  80          HZ1       LYS  80  -8.247  16.261  19.862
  642   2HZ   LYS  80          HZ2       LYS  80  -9.550  17.181  20.281
  643   3HZ   LYS  80          HZ3       LYS  80  -9.396  16.629  18.752
  644    H    ILE  81           H        ILE  81  -3.868  19.060  14.138
  645    HA   ILE  81           HA       ILE  81  -1.360  17.793  14.473
  646    HB   ILE  81           HB       ILE  81  -2.737  18.825  11.964
  647   1HG1  ILE  81          HG12      ILE  81  -2.497  15.979  13.004
  648   2HG1  ILE  81          HG13      ILE  81  -3.854  16.991  13.427
  649   1HG2  ILE  81          HG21      ILE  81  -0.304  18.544  11.527
  650   2HG2  ILE  81          HG22      ILE  81  -0.353  16.922  12.232
  651   3HG2  ILE  81          HG23      ILE  81  -1.205  17.279  10.715
  652   1HD1  ILE  81          HD11      ILE  81  -4.564  17.179  11.113
  653   2HD1  ILE  81          HD12      ILE  81  -3.144  16.273  10.557
  654   3HD1  ILE  81          HD13      ILE  81  -4.361  15.487  11.558
  655    H    LYS  82           H        LYS  82  -2.044  21.055  12.938
  656    HA   LYS  82           HA       LYS  82   0.591  21.880  12.661
  657   1HB   LYS  82          HB2       LYS  82  -1.371  22.964  11.761
  658   2HB   LYS  82          HB3       LYS  82  -1.975  23.353  13.372
  659   1HG   LYS  82          HG2       LYS  82  -0.187  24.956  13.743
  660   2HG   LYS  82          HG3       LYS  82   0.597  24.505  12.209
  661   1HD   LYS  82          HD2       LYS  82  -1.449  25.133  10.978
  662   2HD   LYS  82          HD3       LYS  82  -2.246  25.592  12.479
  663   1HE   LYS  82          HE2       LYS  82   0.294  26.889  11.353
  664   2HE   LYS  82          HE3       LYS  82  -1.336  27.527  11.130
  665   1HZ   LYS  82          HZ1       LYS  82   0.029  27.247  13.744
  666   2HZ   LYS  82          HZ2       LYS  82  -0.237  28.636  12.940
  667   3HZ   LYS  82          HZ3       LYS  82  -1.500  27.802  13.535
  668    H    GLU  83           H        GLU  83  -1.462  22.332  15.621
  669    HA   GLU  83           HA       GLU  83   0.484  23.773  17.069
  670   1HB   GLU  83          HB2       GLU  83  -1.984  23.573  17.549
  671   2HB   GLU  83          HB3       GLU  83  -1.711  21.923  18.103
  672   1HG   GLU  83          HG2       GLU  83  -1.850  23.271  20.040
  673   2HG   GLU  83          HG3       GLU  83  -0.149  22.866  19.876
  674    H    THR  84           H        THR  84  -0.167  20.255  16.897
  675    HA   THR  84           HA       THR  84   1.735  19.416  18.848
  676    HB   THR  84           HB       THR  84   0.480  18.088  16.398
  677    HG1  THR  84           HG1      THR  84  -1.056  18.567  17.794
  678   1HG2  THR  84          HG21      THR  84   2.147  16.900  18.609
  679   2HG2  THR  84          HG22      THR  84   0.971  15.933  17.686
  680   3HG2  THR  84          HG23      THR  84   2.307  16.733  16.835
  681    H    ALA  85           H        ALA  85   2.016  19.595  15.221
  682    HA   ALA  85           HA       ALA  85   4.660  18.853  15.100
  683   1HB   ALA  85          HB1       ALA  85   4.555  19.947  12.858
  684   2HB   ALA  85          HB2       ALA  85   3.117  18.957  13.220
  685   3HB   ALA  85          HB3       ALA  85   3.043  20.735  13.339
  686    H    ALA  86           H        ALA  86   3.353  22.124  15.712
  687    HA   ALA  86           HA       ALA  86   5.746  23.585  15.420
  688   1HB   ALA  86          HB1       ALA  86   3.453  24.550  15.790
  689   2HB   ALA  86          HB2       ALA  86   3.546  24.010  17.489
  690   3HB   ALA  86          HB3       ALA  86   4.679  25.229  16.884
  691    H    GLU  87           H        GLU  87   4.609  21.518  18.082
  692    HA   GLU  87           HA       GLU  87   6.622  22.483  19.974
  693   1HB   GLU  87          HB2       GLU  87   4.428  20.381  19.982
  694   2HB   GLU  87          HB3       GLU  87   5.603  20.477  21.301
  695   1HG   GLU  87          HG2       GLU  87   3.813  22.778  20.396
  696   2HG   GLU  87          HG3       GLU  87   3.435  21.675  21.713
  697    H    HIS  88           H        HIS  88   6.037  19.434  18.105
  698    HA   HIS  88           HA       HIS  88   8.544  18.251  18.805
  699   1HB   HIS  88          HB2       HIS  88   6.734  17.848  16.419
  700   2HB   HIS  88          HB3       HIS  88   8.047  16.760  16.875
  701    HD1  HIS  88           HD1      HIS  88   7.469  16.275  19.898
  702    HD2  HIS  88           HD2      HIS  88   4.534  16.687  16.902
  703    HE1  HIS  88           HE1      HIS  88   5.399  15.139  20.785
  704    H    ASP  89           H        ASP  89   7.951  20.891  16.685
  705    HA   ASP  89           HA       ASP  89   9.177  22.087  15.291
  706   1HB   ASP  89          HB2       ASP  89  10.993  21.775  17.022
  707   2HB   ASP  89          HB3       ASP  89  11.658  20.498  16.006
  708    H    ILE  90           H        ILE  90   7.753  19.757  14.333
  709    HA   ILE  90           HA       ILE  90   9.221  18.694  12.089
  710    HB   ILE  90           HB       ILE  90   6.205  18.773  12.038
  711   1HG1  ILE  90          HG12      ILE  90   7.622  16.998  14.043
  712   2HG1  ILE  90          HG13      ILE  90   6.633  18.422  14.418
  713   1HG2  ILE  90          HG21      ILE  90   8.231  16.496  11.743
  714   2HG2  ILE  90          HG22      ILE  90   6.545  16.506  11.178
  715   3HG2  ILE  90          HG23      ILE  90   7.739  17.546  10.410
  716   1HD1  ILE  90          HD11      ILE  90   5.214  16.566  14.741
  717   2HD1  ILE  90          HD12      ILE  90   4.697  17.368  13.246
  718   3HD1  ILE  90          HD13      ILE  90   5.620  15.889  13.167
  719    H    THR  91           H        THR  91  10.098  20.419  10.931
  720    HA   THR  91           HA       THR  91   8.425  22.690  10.119
  721    HB   THR  91           HB       THR  91  10.791  23.517   9.474
  722    HG1  THR  91           HG1      THR  91  12.424  22.326  10.597
  723   1HG2  THR  91          HG21      THR  91  10.196  22.830  12.387
  724   2HG2  THR  91          HG22      THR  91  11.358  24.046  11.813
  725   3HG2  THR  91          HG23      THR  91   9.627  24.264  11.512
  726    H    GLN  92           H        GLN  92   9.720  19.789   8.710
  727    HA   GLN  92           HA       GLN  92   9.962  20.445   6.002
  728   1HB   GLN  92          HB2       GLN  92   9.426  18.057   5.668
  729   2HB   GLN  92          HB3       GLN  92  10.560  18.307   6.987
  730   1HG   GLN  92          HG2       GLN  92   8.277  18.242   8.457
  731   2HG   GLN  92          HG3       GLN  92   7.662  17.413   7.039
  732   1HE2  GLN  92          HE22      GLN  92   7.577  15.219   7.719
  733   2HE2  GLN  92          HE21      GLN  92   9.000  14.371   8.303
  734    HA   PRO  93           HA       PRO  93   5.696  21.277   4.654
  735   1HB   PRO  93          HB2       PRO  93   6.401  19.414   2.390
  736   2HB   PRO  93          HB3       PRO  93   5.622  21.016   2.305
  737   1HG   PRO  93          HG2       PRO  93   8.240  20.769   1.675
  738   2HG   PRO  93          HG3       PRO  93   7.695  22.139   2.696
  739   1HD   PRO  93          HD2       PRO  93   8.972  19.535   3.566
  740   2HD   PRO  93          HD3       PRO  93   9.330  21.208   4.095
  741    H    ILE  94           H        ILE  94   3.743  20.218   5.084
  742    HA   ILE  94           HA       ILE  94   3.605  17.276   5.025
  743    HB   ILE  94           HB       ILE  94   2.680  18.948   7.394
  744   1HG1  ILE  94          HG12      ILE  94   5.158  17.228   7.146
  745   2HG1  ILE  94          HG13      ILE  94   5.014  18.947   7.514
  746   1HG2  ILE  94          HG21      ILE  94   2.701  15.921   7.017
  747   2HG2  ILE  94          HG22      ILE  94   2.195  16.778   8.491
  748   3HG2  ILE  94          HG23      ILE  94   1.268  16.964   7.022
  749   1HD1  ILE  94          HD11      ILE  94   5.595  17.997   9.529
  750   2HD1  ILE  94          HD12      ILE  94   3.864  18.311   9.683
  751   3HD1  ILE  94          HD13      ILE  94   4.459  16.653   9.360
  752    H    PHE  95           H        PHE  95   1.431  16.613   4.457
  753    HA   PHE  95           HA       PHE  95  -0.559  18.802   4.363
  754   1HB   PHE  95          HB2       PHE  95  -1.214  18.562   2.247
  755   2HB   PHE  95          HB3       PHE  95   0.490  18.255   2.029
  756    HD1  PHE  95           HD1      PHE  95   1.274  15.868   1.574
  757    HD2  PHE  95           HD2      PHE  95  -2.906  16.916   1.826
  758    HE1  PHE  95           HE1      PHE  95   0.666  13.776   0.376
  759    HE2  PHE  95           HE2      PHE  95  -3.495  14.809   0.663
  760    HZ   PHE  95           HZ       PHE  95  -1.735  13.251  -0.085
  761    H    VAL  96           H        VAL  96  -2.690  18.162   4.416
  762    HA   VAL  96           HA       VAL  96  -3.266  15.403   5.348
  763    HB   VAL  96           HB       VAL  96  -4.683  17.801   6.543
  764   1HG1  VAL  96          HG11      VAL  96  -5.121  16.209   8.391
  765   2HG1  VAL  96          HG12      VAL  96  -5.678  15.564   6.843
  766   3HG1  VAL  96          HG13      VAL  96  -4.174  14.968   7.543
  767   1HG2  VAL  96          HG21      VAL  96  -3.210  17.663   8.564
  768   2HG2  VAL  96          HG22      VAL  96  -2.074  16.669   7.616
  769   3HG2  VAL  96          HG23      VAL  96  -2.412  18.341   7.149
  770    H    ASP  97           H        ASP  97  -5.283  14.663   4.576
  771    HA   ASP  97           HA       ASP  97  -7.060  16.497   3.086
  772   1HB   ASP  97          HB2       ASP  97  -5.461  15.670   1.483
  773   2HB   ASP  97          HB3       ASP  97  -5.793  13.997   1.958
  774    H    SER  98           H        SER  98  -9.154  15.531   2.712
  775    HA   SER  98           HA       SER  98 -10.089  13.830   4.872
  776   1HB   SER  98          HB2       SER  98 -11.539  14.857   2.399
  777   2HB   SER  98          HB3       SER  98 -12.272  14.271   3.903
  778    HG   SER  98           HG       SER  98 -12.170  16.564   3.803
  779    H    ASP  99           H        ASP  99  -8.780  13.218   1.693
  780    HA   ASP  99           HA       ASP  99 -10.039  10.509   1.627
  781   1HB   ASP  99          HB2       ASP  99 -10.964  11.968  -0.080
  782   2HB   ASP  99          HB3       ASP  99  -9.357  12.401  -0.649
  783    H    HIS 100           H        HIS 100  -7.078  12.384   0.723
  784    HA   HIS 100           HA       HIS 100  -5.003  11.921   0.412
  785   1HB   HIS 100          HB2       HIS 100  -5.487   9.514   2.193
  786   2HB   HIS 100          HB3       HIS 100  -3.921   9.922   1.500
  787    HD1  HIS 100           HD1      HIS 100  -5.872  10.652   4.538
  788    HD2  HIS 100           HD2      HIS 100  -3.220  12.701   2.009
  789    HE1  HIS 100           HE1      HIS 100  -4.994  12.651   5.864
  790    H    ALA 101           H        ALA 101  -5.177  11.865  -1.764
  791    HA   ALA 101           HA       ALA 101  -6.383   9.807  -3.292
  792   1HB   ALA 101          HB1       ALA 101  -5.862  12.091  -4.136
  793   2HB   ALA 101          HB2       ALA 101  -4.121  11.711  -4.073
  794   3HB   ALA 101          HB3       ALA 101  -5.185  10.832  -5.187
  795    H    LEU 102           H        LEU 102  -3.231   9.913  -1.801
  796    HA   LEU 102           HA       LEU 102  -2.078   7.832  -3.452
  797   1HB   LEU 102          HB2       LEU 102  -0.305   7.654  -1.985
  798   2HB   LEU 102          HB3       LEU 102  -0.511   9.303  -2.505
  799    HG   LEU 102           HG       LEU 102   0.305   8.924  -0.251
  800   1HD1  LEU 102          HD11      LEU 102  -2.339  10.447  -0.201
  801   2HD1  LEU 102          HD12      LEU 102  -0.914  10.742   0.810
  802   3HD1  LEU 102          HD13      LEU 102  -0.839  11.050  -0.926
  803   1HD2  LEU 102          HD21      LEU 102  -0.996   8.335   1.659
  804   2HD2  LEU 102          HD22      LEU 102  -2.446   8.115   0.695
  805   3HD2  LEU 102          HD23      LEU 102  -1.055   7.011   0.492
  806    H    THR 103           H        THR 103  -4.493   7.679  -0.964
  807    HA   THR 103           HA       THR 103  -3.606   5.090  -0.021
  808    HB   THR 103           HB       THR 103  -5.853   4.784   0.771
  809    HG1  THR 103           HG1      THR 103  -6.357   7.443  -0.134
  810   1HG2  THR 103          HG21      THR 103  -4.236   5.848   2.236
  811   2HG2  THR 103          HG22      THR 103  -4.611   7.444   1.569
  812   3HG2  THR 103          HG23      THR 103  -5.832   6.560   2.511
  813    H    ASP 104           H        ASP 104  -4.794   6.177  -3.079
  814    HA   ASP 104           HA       ASP 104  -5.874   3.535  -3.742
  815   1HB   ASP 104          HB2       ASP 104  -6.690   5.635  -4.855
  816   2HB   ASP 104          HB3       ASP 104  -5.064   5.907  -5.487
  817    H    ALA 105           H        ALA 105  -2.773   5.106  -3.559
  818    HA   ALA 105           HA       ALA 105  -1.519   2.966  -5.221
  819   1HB   ALA 105          HB1       ALA 105  -0.369   5.488  -3.974
  820   2HB   ALA 105          HB2       ALA 105   0.512   4.301  -4.972
  821   3HB   ALA 105          HB3       ALA 105  -0.814   5.247  -5.678
  822    H    PHE 106           H        PHE 106  -1.361   4.333  -1.830
  823    HA   PHE 106           HA       PHE 106   0.476   2.156  -1.079
  824   1HB   PHE 106          HB2       PHE 106  -0.545   4.635   0.367
  825   2HB   PHE 106          HB3       PHE 106   0.482   3.426   1.088
  826    HD1  PHE 106           HD1      PHE 106   2.772   3.856   1.229
  827    HD2  PHE 106           HD2      PHE 106   0.484   5.705  -1.899
  828    HE1  PHE 106           HE1      PHE 106   4.696   5.305   0.679
  829    HE2  PHE 106           HE2      PHE 106   2.397   7.200  -2.417
  830    HZ   PHE 106           HZ       PHE 106   4.512   7.000  -1.135
  831    H    GLU 107           H        GLU 107  -2.907   3.115  -0.818
  832    HA   GLU 107           HA       GLU 107  -4.555   2.616   0.677
  833   1HB   GLU 107          HB2       GLU 107  -4.187   0.611  -0.907
  834   2HB   GLU 107          HB3       GLU 107  -3.612  -0.247   0.526
  835   1HG   GLU 107          HG2       GLU 107  -5.808   0.346   1.656
  836   2HG   GLU 107          HG3       GLU 107  -6.317   1.136   0.162
  837    H    ASN 108           H        ASN 108  -2.707   3.820   2.005
  838    HA   ASN 108           HA       ASN 108  -1.225   2.961   4.022
  839   1HB   ASN 108          HB2       ASN 108  -1.719   5.349   3.406
  840   2HB   ASN 108          HB3       ASN 108  -3.194   5.260   4.375
  841   1HD2  ASN 108          HD22      ASN 108  -2.758   4.514   6.818
  842   2HD2  ASN 108          HD21      ASN 108  -1.229   5.021   7.521
  843    H    GLU 109           H        GLU 109  -1.405   1.630   5.744
  844    HA   GLU 109           HA       GLU 109  -3.916   1.491   7.298
  845   1HB   GLU 109          HB2       GLU 109  -3.929  -0.902   7.179
  846   2HB   GLU 109          HB3       GLU 109  -4.034  -0.181   5.568
  847   1HG   GLU 109          HG2       GLU 109  -1.673  -0.569   5.179
  848   2HG   GLU 109          HG3       GLU 109  -1.467  -1.185   6.813
  849    H    TYR 110           H        TYR 110  -1.077   2.616   7.783
  850    HA   TYR 110           HA       TYR 110  -0.320   1.279  10.255
  851   1HB   TYR 110          HB2       TYR 110   2.053   1.444   9.224
  852   2HB   TYR 110          HB3       TYR 110   1.000   0.191   8.570
  853    HD1  TYR 110           HD1      TYR 110   0.709   0.005   6.226
  854    HD2  TYR 110           HD2      TYR 110   2.025   3.758   7.897
  855    HE1  TYR 110           HE1      TYR 110   0.786   1.005   3.956
  856    HE2  TYR 110           HE2      TYR 110   2.098   4.758   5.662
  857    HH   TYR 110           HH       TYR 110   1.649   4.457   3.433
  858    H    VAL 111           H        VAL 111   0.985   2.665  11.396
  859    HA   VAL 111           HA       VAL 111   2.066   5.169  10.611
  860    HB   VAL 111           HB       VAL 111   0.897   6.460  12.528
  861   1HG1  VAL 111          HG11      VAL 111  -0.497   7.604  11.137
  862   2HG1  VAL 111          HG12      VAL 111   0.688   6.907  10.013
  863   3HG1  VAL 111          HG13      VAL 111  -0.927   6.197  10.169
  864   1HG2  VAL 111          HG21      VAL 111  -0.497   4.631  13.452
  865   2HG2  VAL 111          HG22      VAL 111  -1.444   6.034  12.952
  866   3HG2  VAL 111          HG23      VAL 111  -1.420   4.579  11.935
  867    HA   PRO 112           HA       PRO 112   3.450   6.611  11.453
  868   1HB   PRO 112          HB2       PRO 112   6.078   6.915  12.095
  869   2HB   PRO 112          HB3       PRO 112   4.781   7.584  13.112
  870   1HG   PRO 112          HG2       PRO 112   6.310   5.005  13.463
  871   2HG   PRO 112          HG3       PRO 112   5.907   6.216  14.706
  872   1HD   PRO 112          HD2       PRO 112   4.456   3.891  14.325
  873   2HD   PRO 112          HD3       PRO 112   3.688   5.403  14.883
  874    H    ALA 113           H        ALA 113   4.595   6.438   9.407
  875    HA   ALA 113           HA       ALA 113   6.371   4.082   9.059
  876   1HB   ALA 113          HB1       ALA 113   4.048   4.722   7.234
  877   2HB   ALA 113          HB2       ALA 113   5.331   3.554   6.880
  878   3HB   ALA 113          HB3       ALA 113   4.248   3.256   8.251
  879    H    TYR 114           H        TYR 114   7.716   4.160   7.326
  880    HA   TYR 114           HA       TYR 114   8.399   6.894   6.351
  881   1HB   TYR 114          HB2       TYR 114  10.441   4.847   7.231
  882   2HB   TYR 114          HB3       TYR 114  10.596   6.585   7.128
  883    HD1  TYR 114           HD1      TYR 114  10.323   3.874   9.351
  884    HD2  TYR 114           HD2      TYR 114   8.805   7.863   8.793
  885    HE1  TYR 114           HE1      TYR 114   9.787   3.991  11.759
  886    HE2  TYR 114           HE2      TYR 114   8.287   8.009  11.223
  887    HH   TYR 114           HH       TYR 114   8.938   5.308  13.498
  888    H    TYR 115           H        TYR 115   8.986   6.929   4.207
  889    HA   TYR 115           HA       TYR 115   9.579   4.368   2.781
  890   1HB   TYR 115          HB2       TYR 115   7.596   6.573   2.089
  891   2HB   TYR 115          HB3       TYR 115   8.283   5.500   0.884
  892    HD1  TYR 115           HD1      TYR 115   7.372   3.417   0.419
  893    HD2  TYR 115           HD2      TYR 115   6.205   5.452   4.025
  894    HE1  TYR 115           HE1      TYR 115   5.643   1.709   0.802
  895    HE2  TYR 115           HE2      TYR 115   4.398   3.793   4.378
  896    HH   TYR 115           HH       TYR 115   3.345   1.869   3.535
  897    H    VAL 116           H        VAL 116  11.379   4.552   1.515
  898    HA   VAL 116           HA       VAL 116  12.661   7.255   1.409
  899    HB   VAL 116           HB       VAL 116  14.089   4.567   1.515
  900   1HG1  VAL 116          HG11      VAL 116  15.005   7.420   2.119
  901   2HG1  VAL 116          HG12      VAL 116  16.014   5.957   2.206
  902   3HG1  VAL 116          HG13      VAL 116  15.381   6.509   0.648
  903   1HG2  VAL 116          HG21      VAL 116  12.879   4.713   3.635
  904   2HG2  VAL 116          HG22      VAL 116  14.593   5.031   3.900
  905   3HG2  VAL 116          HG23      VAL 116  13.441   6.386   3.867
  906    H    PHE 117           H        PHE 117  13.073   7.987  -0.610
  907    HA   PHE 117           HA       PHE 117  12.792   6.110  -2.914
  908   1HB   PHE 117          HB2       PHE 117  11.962   9.032  -2.705
  909   2HB   PHE 117          HB3       PHE 117  11.810   8.007  -4.119
  910    HD1  PHE 117           HD1      PHE 117   9.893   6.565  -4.405
  911    HD2  PHE 117           HD2      PHE 117  10.559   8.533  -0.626
  912    HE1  PHE 117           HE1      PHE 117   7.614   5.934  -3.679
  913    HE2  PHE 117           HE2      PHE 117   8.301   7.859   0.110
  914    HZ   PHE 117           HZ       PHE 117   6.817   6.559  -1.406
  915    H    ASP 118           H        ASP 118  14.395   6.251  -4.397
  916    HA   ASP 118           HA       ASP 118  16.796   7.893  -3.918
  917   1HB   ASP 118          HB2       ASP 118  17.145   5.788  -4.972
  918   2HB   ASP 118          HB3       ASP 118  15.879   6.104  -6.164
  919    H    LYS 119           H        LYS 119  17.573   9.483  -5.594
  920    HA   LYS 119           HA       LYS 119  15.787  11.629  -5.947
  921   1HB   LYS 119          HB2       LYS 119  17.461  12.650  -7.338
  922   2HB   LYS 119          HB3       LYS 119  18.202  11.934  -5.920
  923   1HG   LYS 119          HG2       LYS 119  19.501  10.576  -7.090
  924   2HG   LYS 119          HG3       LYS 119  18.206  10.027  -8.144
  925   1HD   LYS 119          HD2       LYS 119  19.573  12.725  -8.512
  926   2HD   LYS 119          HD3       LYS 119  20.175  11.233  -9.249
  927   1HE   LYS 119          HE2       LYS 119  18.080  10.881 -10.441
  928   2HE   LYS 119          HE3       LYS 119  17.343  12.292  -9.676
  929   1HZ   LYS 119          HZ1       LYS 119  18.209  12.667 -11.962
  930   2HZ   LYS 119          HZ2       LYS 119  18.814  13.717 -10.878
  931   3HZ   LYS 119          HZ3       LYS 119  19.732  12.463 -11.426
  932    H    THR 120           H        THR 120  15.814   8.763  -7.804
  933    HA   THR 120           HA       THR 120  14.792   9.915 -10.293
  934    HB   THR 120           HB       THR 120  14.066   7.430 -10.529
  935    HG1  THR 120           HG1      THR 120  15.990   7.022  -8.483
  936   1HG2  THR 120          HG21      THR 120  17.015   8.092 -10.231
  937   2HG2  THR 120          HG22      THR 120  16.356   6.656 -11.064
  938   3HG2  THR 120          HG23      THR 120  16.029   8.285 -11.698
  939    H    GLY 121           H        GLY 121  13.549   8.754  -7.264
  940   1HA   GLY 121          HA2       GLY 121  11.306   9.226  -6.492
  941   2HA   GLY 121          HA3       GLY 121  10.717   9.070  -8.165
  942    H    GLN 122           H        GLN 122  13.013   6.631  -7.777
  943    HA   GLN 122           HA       GLN 122  10.845   4.698  -7.624
  944   1HB   GLN 122          HB2       GLN 122  12.337   3.097  -8.346
  945   2HB   GLN 122          HB3       GLN 122  12.887   4.564  -9.147
  946   1HG   GLN 122          HG2       GLN 122  14.616   4.784  -7.290
  947   2HG   GLN 122          HG3       GLN 122  14.145   3.167  -6.757
  948   1HE2  GLN 122          HE22      GLN 122  15.567   5.045  -9.418
  949   2HE2  GLN 122          HE21      GLN 122  16.347   3.686 -10.217
  950    H    LEU 123           H        LEU 123  10.097   3.836  -5.864
  951    HA   LEU 123           HA       LEU 123  10.861   4.424  -3.227
  952   1HB   LEU 123          HB2       LEU 123   8.632   3.749  -3.805
  953   2HB   LEU 123          HB3       LEU 123   9.188   2.173  -4.373
  954    HG   LEU 123           HG       LEU 123   9.763   1.455  -2.169
  955   1HD1  LEU 123          HD11      LEU 123   9.428   2.870  -0.150
  956   2HD1  LEU 123          HD12      LEU 123  10.702   3.491  -1.176
  957   3HD1  LEU 123          HD13      LEU 123   9.122   4.278  -1.204
  958   1HD2  LEU 123          HD21      LEU 123   7.369   1.364  -2.820
  959   2HD2  LEU 123          HD22      LEU 123   7.598   1.473  -1.072
  960   3HD2  LEU 123          HD23      LEU 123   7.099   2.913  -1.997
  961    H    ARG 124           H        ARG 124  12.941   3.896  -2.446
  962    HA   ARG 124           HA       ARG 124  14.174   1.370  -3.324
  963   1HB   ARG 124          HB2       ARG 124  15.128   3.582  -1.449
  964   2HB   ARG 124          HB3       ARG 124  16.054   2.128  -1.792
  965   1HG   ARG 124          HG2       ARG 124  15.233   4.253  -3.807
  966   2HG   ARG 124          HG3       ARG 124  16.848   3.989  -3.157
  967   1HD   ARG 124          HD2       ARG 124  15.301   2.100  -4.985
  968   2HD   ARG 124          HD3       ARG 124  16.651   3.114  -5.443
  969    HE   ARG 124           HE       ARG 124  16.725   0.689  -3.706
  970   1HH1  ARG 124          HH11      ARG 124  18.579   3.097  -5.564
  971   2HH1  ARG 124          HH12      ARG 124  20.055   2.202  -5.469
  972   1HH2  ARG 124          HH21      ARG 124  18.727  -0.429  -3.533
  973   2HH2  ARG 124          HH22      ARG 124  20.175   0.269  -4.192
  974    H    HIS 125           H        HIS 125  12.695   2.640  -0.243
  975    HA   HIS 125           HA       HIS 125  12.454  -0.132   0.675
  976   1HB   HIS 125          HB2       HIS 125  14.866   0.644   1.107
  977   2HB   HIS 125          HB3       HIS 125  14.195   1.865   2.179
  978    HD1  HIS 125           HD1      HIS 125  14.672  -1.958   1.923
  979    HD2  HIS 125           HD2      HIS 125  13.400   1.063   4.552
  980    HE1  HIS 125           HE1      HIS 125  14.560  -3.040   4.224
  981    H    PHE 126           H        PHE 126  11.364  -0.212   2.839
  982    HA   PHE 126           HA       PHE 126   9.928   2.211   3.698
  983   1HB   PHE 126          HB2       PHE 126   8.158   1.476   2.475
  984   2HB   PHE 126          HB3       PHE 126   8.745  -0.166   2.359
  985    HD1  PHE 126           HD1      PHE 126   7.001   2.188   4.718
  986    HD2  PHE 126           HD2      PHE 126   7.881  -1.911   3.701
  987    HE1  PHE 126           HE1      PHE 126   5.306   1.397   6.372
  988    HE2  PHE 126           HE2      PHE 126   6.220  -2.681   5.373
  989    HZ   PHE 126           HZ       PHE 126   4.929  -1.017   6.709
  990    H    GLN 127           H        GLN 127   9.384   2.145   5.889
  991    HA   GLN 127           HA       GLN 127   9.764  -0.267   7.505
  992   1HB   GLN 127          HB2       GLN 127  11.382   2.304   7.862
  993   2HB   GLN 127          HB3       GLN 127  11.045   1.241   9.220
  994   1HG   GLN 127          HG2       GLN 127  12.585   0.483   6.726
  995   2HG   GLN 127          HG3       GLN 127  13.256   0.827   8.309
  996   1HE2  GLN 127          HE22      GLN 127  12.896  -1.710   6.413
  997   2HE2  GLN 127          HE21      GLN 127  12.483  -2.968   7.569
  998    H    ALA 128           H        ALA 128   8.919   0.232   9.795
  999    HA   ALA 128           HA       ALA 128   7.295   2.637  10.007
 1000   1HB   ALA 128          HB1       ALA 128   6.070  -0.164  10.193
 1001   2HB   ALA 128          HB2       ALA 128   5.244   1.338  10.643
 1002   3HB   ALA 128          HB3       ALA 128   5.702   1.059   8.954
 1003    H    GLY 129           H        GLY 129   6.691   3.075  12.161
 1004   1HA   GLY 129          HA2       GLY 129   6.912   3.139  14.464
 1005   2HA   GLY 129          HA3       GLY 129   7.342   1.428  14.428
 1006    H    GLY 130           H        GLY 130   9.562   0.851  14.003
 1007   1HA   GLY 130          HA2       GLY 130  11.807   0.986  14.218
 1008   2HA   GLY 130          HA3       GLY 130  11.612   2.556  13.405
 1009    H    SER 131           H        SER 131  10.377   1.962  16.678
 1010    HA   SER 131           HA       SER 131  10.686   3.161  18.578
 1011   1HB   SER 131          HB2       SER 131  13.626   2.745  17.937
 1012   2HB   SER 131          HB3       SER 131  12.911   3.025  19.535
 1013    HG   SER 131           HG       SER 131  13.302   0.801  19.124
 1014    H    GLY 132           H        GLY 132  10.232   4.824  16.280
 1015   1HA   GLY 132          HA2       GLY 132  10.159   7.123  15.961
 1016   2HA   GLY 132          HA3       GLY 132  11.415   7.392  17.175
 1017    H    MET 133           H        MET 133  11.247   5.325  14.224
 1018    HA   MET 133           HA       MET 133  12.732   4.910  12.587
 1019   1HB   MET 133          HB2       MET 133  13.317   7.141  11.281
 1020   2HB   MET 133          HB3       MET 133  11.754   6.391  11.263
 1021   1HG   MET 133          HG2       MET 133  10.871   7.984  12.850
 1022   2HG   MET 133          HG3       MET 133  12.470   8.711  13.080
 1023   1HE   MET 133          HE1       MET 133  13.356  10.627  11.814
 1024   2HE   MET 133          HE2       MET 133  13.885   9.334  10.718
 1025   3HE   MET 133          HE3       MET 133  13.161  10.811  10.057
 1026    H    LYS 134           H        LYS 134  14.155   4.780  14.995
 1027    HA   LYS 134           HA       LYS 134  16.650   6.188  14.747
 1028   1HB   LYS 134          HB2       LYS 134  15.830   5.177  16.864
 1029   2HB   LYS 134          HB3       LYS 134  15.963   3.574  16.154
 1030   1HG   LYS 134          HG2       LYS 134  17.786   3.841  17.600
 1031   2HG   LYS 134          HG3       LYS 134  18.460   3.880  15.990
 1032   1HD   LYS 134          HD2       LYS 134  17.868   6.354  17.688
 1033   2HD   LYS 134          HD3       LYS 134  19.394   5.498  17.730
 1034   1HE   LYS 134          HE2       LYS 134  18.274   7.038  15.353
 1035   2HE   LYS 134          HE3       LYS 134  19.597   7.504  16.410
 1036   1HZ   LYS 134          HZ1       LYS 134  19.596   5.295  14.458
 1037   2HZ   LYS 134          HZ2       LYS 134  20.546   6.626  14.463
 1038   3HZ   LYS 134          HZ3       LYS 134  20.781   5.476  15.601
 1039    H    MET 135           H        MET 135  15.480   3.070  13.442
 1040    HA   MET 135           HA       MET 135  18.097   2.322  12.390
 1041   1HB   MET 135          HB2       MET 135  16.296   0.712  13.111
 1042   2HB   MET 135          HB3       MET 135  15.332   1.211  11.725
 1043   1HG   MET 135          HG2       MET 135  18.000   0.481  10.816
 1044   2HG   MET 135          HG3       MET 135  17.409  -0.757  11.905
 1045   1HE   MET 135          HE1       MET 135  15.498   0.391   7.843
 1046   2HE   MET 135          HE2       MET 135  15.447   1.511   9.227
 1047   3HE   MET 135          HE3       MET 135  17.008   1.050   8.500
 1048    H    LEU 136           H        LEU 136  15.237   4.007  11.131
 1049    HA   LEU 136           HA       LEU 136  15.634   3.862   8.401
 1050   1HB   LEU 136          HB2       LEU 136  13.732   4.978   9.707
 1051   2HB   LEU 136          HB3       LEU 136  14.831   6.347   9.943
 1052    HG   LEU 136           HG       LEU 136  14.952   6.623   7.429
 1053   1HD1  LEU 136          HD11      LEU 136  14.399   4.415   6.652
 1054   2HD1  LEU 136          HD12      LEU 136  12.844   4.430   7.520
 1055   3HD1  LEU 136          HD13      LEU 136  13.105   5.505   6.133
 1056   1HD2  LEU 136          HD21      LEU 136  12.257   6.815   8.787
 1057   2HD2  LEU 136          HD22      LEU 136  13.551   8.026   8.776
 1058   3HD2  LEU 136          HD23      LEU 136  12.727   7.627   7.273
 1059    H    GLU 137           H        GLU 137  17.289   5.928  10.730
 1060    HA   GLU 137           HA       GLU 137  18.732   7.673   9.102
 1061   1HB   GLU 137          HB2       GLU 137  18.627   7.559  11.604
 1062   2HB   GLU 137          HB3       GLU 137  19.710   6.167  11.564
 1063   1HG   GLU 137          HG2       GLU 137  21.506   7.548  10.618
 1064   2HG   GLU 137          HG3       GLU 137  20.394   8.916  10.448
 1065    H    LYS 138           H        LYS 138  19.413   4.193   9.700
 1066    HA   LYS 138           HA       LYS 138  21.966   4.217   8.290
 1067   1HB   LYS 138          HB2       LYS 138  20.093   1.849   8.767
 1068   2HB   LYS 138          HB3       LYS 138  21.811   1.794   8.401
 1069   1HG   LYS 138          HG2       LYS 138  20.525   2.786  10.976
 1070   2HG   LYS 138          HG3       LYS 138  21.382   1.267  10.727
 1071   1HD   LYS 138          HD2       LYS 138  23.484   2.589  10.205
 1072   2HD   LYS 138          HD3       LYS 138  22.593   4.068  10.579
 1073   1HE   LYS 138          HE2       LYS 138  23.845   3.530  12.522
 1074   2HE   LYS 138          HE3       LYS 138  22.151   3.198  12.888
 1075   1HZ   LYS 138          HZ1       LYS 138  24.185   1.157  12.170
 1076   2HZ   LYS 138          HZ2       LYS 138  23.617   1.437  13.667
 1077   3HZ   LYS 138          HZ3       LYS 138  22.622   0.832  12.529
 1078    H    ARG 139           H        ARG 139  18.531   3.487   7.499
 1079    HA   ARG 139           HA       ARG 139  19.153   2.447   4.945
 1080   1HB   ARG 139          HB2       ARG 139  17.033   2.084   6.301
 1081   2HB   ARG 139          HB3       ARG 139  16.529   3.707   5.832
 1082   1HG   ARG 139          HG2       ARG 139  15.477   2.167   4.338
 1083   2HG   ARG 139          HG3       ARG 139  16.693   3.028   3.414
 1084   1HD   ARG 139          HD2       ARG 139  16.752   0.681   2.800
 1085   2HD   ARG 139          HD3       ARG 139  18.243   1.066   3.629
 1086    HE   ARG 139           HE       ARG 139  15.873  -0.364   4.789
 1087   1HH1  ARG 139          HH11      ARG 139  19.420  -0.042   4.707
 1088   2HH1  ARG 139          HH12      ARG 139  19.671  -1.182   5.972
 1089   1HH2  ARG 139          HH21      ARG 139  16.215  -1.871   6.420
 1090   2HH2  ARG 139          HH22      ARG 139  17.808  -2.276   6.938
 1091    H    VAL 140           H        VAL 140  18.158   5.758   5.945
 1092    HA   VAL 140           HA       VAL 140  18.182   6.859   3.326
 1093    HB   VAL 140           HB       VAL 140  18.398   7.863   6.161
 1094   1HG1  VAL 140          HG11      VAL 140  18.459  10.176   5.508
 1095   2HG1  VAL 140          HG12      VAL 140  19.932   9.393   4.979
 1096   3HG1  VAL 140          HG13      VAL 140  18.659   9.740   3.783
 1097   1HG2  VAL 140          HG21      VAL 140  16.480   8.352   3.827
 1098   2HG2  VAL 140          HG22      VAL 140  16.221   7.205   5.161
 1099   3HG2  VAL 140          HG23      VAL 140  16.251   8.940   5.470
 1100    H    ASN 141           H        ASN 141  20.886   6.417   5.702
 1101    HA   ASN 141           HA       ASN 141  22.741   7.853   4.025
 1102   1HB   ASN 141          HB2       ASN 141  23.095   5.927   6.354
 1103   2HB   ASN 141          HB3       ASN 141  24.474   6.449   5.394
 1104   1HD2  ASN 141          HD22      ASN 141  21.939   7.603   7.616
 1105   2HD2  ASN 141          HD21      ASN 141  22.683   9.150   7.933
 1106    H    ARG 142           H        ARG 142  21.811   4.396   4.212
 1107    HA   ARG 142           HA       ARG 142  23.611   3.500   2.176
 1108   1HB   ARG 142          HB2       ARG 142  22.541   1.849   3.479
 1109   2HB   ARG 142          HB3       ARG 142  20.949   2.534   3.243
 1110   1HG   ARG 142          HG2       ARG 142  21.204   0.429   2.052
 1111   2HG   ARG 142          HG3       ARG 142  20.805   1.766   0.989
 1112   1HD   ARG 142          HD2       ARG 142  22.417   0.261  -0.056
 1113   2HD   ARG 142          HD3       ARG 142  23.131   1.858   0.169
 1114    HE   ARG 142           HE       ARG 142  23.796   0.233   2.401
 1115   1HH1  ARG 142          HH11      ARG 142  24.488   0.450  -1.109
 1116   2HH1  ARG 142          HH12      ARG 142  26.112  -0.121  -0.936
 1117   1HH2  ARG 142          HH21      ARG 142  25.953  -0.561   2.581
 1118   2HH2  ARG 142          HH22      ARG 142  26.943  -0.739   1.185
 1119    H    VAL 143           H        VAL 143  20.194   4.794   1.840
 1120    HA   VAL 143           HA       VAL 143  20.271   4.576  -0.986
 1121    HB   VAL 143           HB       VAL 143  18.612   6.296   0.871
 1122   1HG1  VAL 143          HG11      VAL 143  18.598   7.466  -1.274
 1123   2HG1  VAL 143          HG12      VAL 143  18.284   5.949  -2.144
 1124   3HG1  VAL 143          HG13      VAL 143  17.056   6.637  -1.057
 1125   1HG2  VAL 143          HG21      VAL 143  16.865   4.615   0.262
 1126   2HG2  VAL 143          HG22      VAL 143  18.040   3.771  -0.762
 1127   3HG2  VAL 143          HG23      VAL 143  18.266   3.833   0.993
 1128    H    LEU 144           H        LEU 144  21.561   7.200   1.092
 1129    HA   LEU 144           HA       LEU 144  22.263   8.913  -1.110
 1130   1HB   LEU 144          HB2       LEU 144  23.717   8.529   1.542
 1131   2HB   LEU 144          HB3       LEU 144  24.063   9.799   0.378
 1132    HG   LEU 144           HG       LEU 144  21.402   9.422   1.763
 1133   1HD1  LEU 144          HD11      LEU 144  23.616  11.425   2.351
 1134   2HD1  LEU 144          HD12      LEU 144  22.031  11.350   3.160
 1135   3HD1  LEU 144          HD13      LEU 144  23.193  10.027   3.355
 1136   1HD2  LEU 144          HD21      LEU 144  20.923  11.740   0.987
 1137   2HD2  LEU 144          HD22      LEU 144  22.437  11.707   0.045
 1138   3HD2  LEU 144          HD23      LEU 144  21.106  10.603  -0.341
 1139    H    ALA 145           H        ALA 145  24.103   6.273   0.523
 1140    HA   ALA 145           HA       ALA 145  26.369   6.421  -1.181
 1141   1HB   ALA 145          HB1       ALA 145  25.263   3.965   0.250
 1142   2HB   ALA 145          HB2       ALA 145  26.913   4.194  -0.349
 1143   3HB   ALA 145          HB3       ALA 145  26.314   5.201   0.984
 1144    H    GLU 146           H        GLU 146  23.218   4.830  -1.688
 1145    HA   GLU 146           HA       GLU 146  23.981   3.349  -4.032
 1146   1HB   GLU 146          HB2       GLU 146  21.261   4.442  -3.187
 1147   2HB   GLU 146          HB3       GLU 146  21.521   3.348  -4.525
 1148   1HG   GLU 146          HG2       GLU 146  22.104   2.680  -1.627
 1149   2HG   GLU 146          HG3       GLU 146  20.667   2.228  -2.507
 1150    H    THR 147           H        THR 147  23.606   6.790  -3.561
 1151    HA   THR 147           HA       THR 147  23.335   7.167  -6.480
 1152    HB   THR 147           HB       THR 147  21.294   7.390  -4.741
 1153    HG1  THR 147           HG1      THR 147  20.266   8.156  -6.307
 1154   1HG2  THR 147          HG21      THR 147  22.304   9.214  -3.408
 1155   2HG2  THR 147          HG22      THR 147  22.224  10.275  -4.833
 1156   3HG2  THR 147          HG23      THR 147  20.742   9.614  -4.132
 1157    H    GLU 148           H        GLU 148  25.586   7.382  -4.394
 1158    HA   GLU 148           HA       GLU 148  26.744   9.901  -5.444
 1159   1HB   GLU 148          HB2       GLU 148  25.802  10.382  -3.205
 1160   2HB   GLU 148          HB3       GLU 148  26.724   9.043  -2.510
 1161   1HG   GLU 148          HG2       GLU 148  28.837  10.128  -3.145
 1162   2HG   GLU 148          HG3       GLU 148  27.955  11.425  -3.951
  Start of MODEL    7
    1   1H    MET   1           H1       MET   1   2.617  -2.527  -1.116
    2   2H    MET   1           H2       MET   1   3.501  -1.835   0.067
    3   3H    MET   1           H3       MET   1   2.158  -1.079  -0.508
    4    HA   MET   1           HA       MET   1   3.205  -0.800  -2.684
    5   1HB   MET   1          HB2       MET   1   4.972   0.259  -0.428
    6   2HB   MET   1          HB3       MET   1   4.978   0.795  -2.099
    7   1HG   MET   1          HG2       MET   1   2.429   1.311  -1.702
    8   2HG   MET   1          HG3       MET   1   2.865   1.237   0.003
    9   1HE   MET   1          HE1       MET   1   3.829   4.494  -3.073
   10   2HE   MET   1          HE2       MET   1   4.671   2.945  -3.314
   11   3HE   MET   1          HE3       MET   1   2.890   3.003  -3.277
   12    H    LYS   2           H        LYS   2   4.770  -1.482  -4.153
   13    HA   LYS   2           HA       LYS   2   6.666  -3.570  -3.206
   14   1HB   LYS   2          HB2       LYS   2   5.906  -2.660  -6.025
   15   2HB   LYS   2          HB3       LYS   2   7.073  -3.916  -5.645
   16   1HG   LYS   2          HG2       LYS   2   4.088  -4.019  -5.023
   17   2HG   LYS   2          HG3       LYS   2   4.911  -4.828  -6.357
   18   1HD   LYS   2          HD2       LYS   2   6.268  -6.136  -4.705
   19   2HD   LYS   2          HD3       LYS   2   5.330  -5.393  -3.388
   20   1HE   LYS   2          HE2       LYS   2   3.238  -6.303  -4.358
   21   2HE   LYS   2          HE3       LYS   2   4.161  -7.036  -5.676
   22   1HZ   LYS   2          HZ1       LYS   2   4.440  -7.738  -2.810
   23   2HZ   LYS   2          HZ2       LYS   2   3.684  -8.635  -3.938
   24   3HZ   LYS   2          HZ3       LYS   2   5.294  -8.414  -4.031
   25    H    LEU   3           H        LEU   3   8.863  -3.325  -3.880
   26    HA   LEU   3           HA       LEU   3   9.915  -0.601  -3.638
   27   1HB   LEU   3          HB2       LEU   3  11.376  -3.215  -4.185
   28   2HB   LEU   3          HB3       LEU   3  12.107  -1.660  -3.779
   29    HG   LEU   3           HG       LEU   3  10.402  -3.419  -1.976
   30   1HD1  LEU   3          HD11      LEU   3  12.413  -3.474  -0.580
   31   2HD1  LEU   3          HD12      LEU   3  12.766  -4.051  -2.217
   32   3HD1  LEU   3          HD13      LEU   3  13.263  -2.416  -1.730
   33   1HD2  LEU   3          HD21      LEU   3   9.682  -1.175  -1.475
   34   2HD2  LEU   3          HD22      LEU   3  10.789  -1.682  -0.200
   35   3HD2  LEU   3          HD23      LEU   3  11.355  -0.572  -1.479
   36    H    ARG   4           H        ARG   4  11.416   0.222  -5.089
   37    HA   ARG   4           HA       ARG   4  11.790   1.358  -6.925
   38   1HB   ARG   4          HB2       ARG   4  11.572  -1.299  -8.384
   39   2HB   ARG   4          HB3       ARG   4  12.373   0.170  -8.953
   40   1HG   ARG   4          HG2       ARG   4  13.843   0.038  -6.835
   41   2HG   ARG   4          HG3       ARG   4  13.154  -1.566  -6.568
   42   1HD   ARG   4          HD2       ARG   4  15.280  -1.809  -7.713
   43   2HD   ARG   4          HD3       ARG   4  13.981  -2.259  -8.836
   44    HE   ARG   4           HE       ARG   4  14.661   0.542  -9.065
   45   1HH1  ARG   4          HH21      ARG   4  15.872  -2.651 -10.061
   46   2HH1  ARG   4          HH22      ARG   4  16.656  -2.044 -11.473
   47   1HH2  ARG   4          HH11      ARG   4  15.628   1.321 -10.846
   48   2HH2  ARG   4          HH12      ARG   4  16.529   0.314 -11.948
   49    H    GLN   5           H        GLN   5   8.772   0.789  -6.203
   50    HA   GLN   5           HA       GLN   5   7.452   1.374  -8.741
   51   1HB   GLN   5          HB2       GLN   5   6.666   1.918  -5.834
   52   2HB   GLN   5          HB3       GLN   5   5.638   2.248  -7.219
   53   1HG   GLN   5          HG2       GLN   5   5.712  -0.165  -7.880
   54   2HG   GLN   5          HG3       GLN   5   6.690  -0.516  -6.447
   55   1HE2  GLN   5          HE22      GLN   5   5.627   0.890  -4.458
   56   2HE2  GLN   5          HE21      GLN   5   3.858   0.954  -4.412
   57    HA   PRO   6           HA       PRO   6   8.677   5.724  -8.460
   58   1HB   PRO   6          HB2       PRO   6   7.055   6.884 -10.278
   59   2HB   PRO   6          HB3       PRO   6   8.422   5.814 -10.734
   60   1HG   PRO   6          HG2       PRO   6   5.478   5.087 -10.527
   61   2HG   PRO   6          HG3       PRO   6   6.616   4.711 -11.858
   62   1HD   PRO   6          HD2       PRO   6   6.020   2.951  -9.799
   63   2HD   PRO   6          HD3       PRO   6   7.603   2.964 -10.640
   64    H    MET   7           H        MET   7   7.897   7.433  -7.240
   65    HA   MET   7           HA       MET   7   5.917   7.580  -5.431
   66   1HB   MET   7          HB2       MET   7   6.864   9.759  -7.313
   67   2HB   MET   7          HB3       MET   7   5.738  10.063  -5.978
   68   1HG   MET   7          HG2       MET   7   7.306   9.141  -4.367
   69   2HG   MET   7          HG3       MET   7   8.442   8.731  -5.653
   70   1HE   MET   7          HE1       MET   7   9.020  10.167  -3.044
   71   2HE   MET   7          HE2       MET   7  10.138   9.645  -4.299
   72   3HE   MET   7          HE3       MET   7  10.286  11.299  -3.637
   73    HA   PRO   8           HA       PRO   8   2.176   7.669  -8.160
   74   1HB   PRO   8          HB2       PRO   8   0.211   7.303  -6.325
   75   2HB   PRO   8          HB3       PRO   8   1.330   5.996  -6.781
   76   1HG   PRO   8          HG2       PRO   8   1.467   7.846  -4.399
   77   2HG   PRO   8          HG3       PRO   8   1.630   6.053  -4.405
   78   1HD   PRO   8          HD2       PRO   8   3.822   7.753  -4.436
   79   2HD   PRO   8          HD3       PRO   8   3.832   6.130  -5.188
   80    H    GLU   9           H        GLU   9  -0.118   8.973  -7.107
   81    HA   GLU   9           HA       GLU   9   0.316  11.761  -7.427
   82   1HB   GLU   9          HB2       GLU   9  -1.838  10.131  -6.026
   83   2HB   GLU   9          HB3       GLU   9  -2.005  11.845  -6.495
   84   1HG   GLU   9          HG2       GLU   9  -1.595   9.500  -8.368
   85   2HG   GLU   9          HG3       GLU   9  -3.154  10.231  -7.976
   86    H    LEU  10           H        LEU  10   1.186  13.178  -5.958
   87    HA   LEU  10           HA       LEU  10   1.092  12.513  -3.041
   88   1HB   LEU  10          HB2       LEU  10   3.250  14.159  -4.409
   89   2HB   LEU  10          HB3       LEU  10   3.177  13.614  -2.740
   90    HG   LEU  10           HG       LEU  10   3.763  12.008  -5.244
   91   1HD1  LEU  10          HD11      LEU  10   5.350  12.597  -2.721
   92   2HD1  LEU  10          HD12      LEU  10   5.892  11.582  -4.068
   93   3HD1  LEU  10          HD13      LEU  10   5.602  13.306  -4.332
   94   1HD2  LEU  10          HD21      LEU  10   3.243  10.914  -2.459
   95   2HD2  LEU  10          HD22      LEU  10   2.448  10.452  -3.990
   96   3HD2  LEU  10          HD23      LEU  10   4.127  10.027  -3.728
   97    H    THR  11           H        THR  11  -0.992  13.646  -2.868
   98    HA   THR  11           HA       THR  11  -0.842  16.515  -2.996
   99    HB   THR  11           HB       THR  11  -0.987  15.910  -5.432
  100    HG1  THR  11           HG1      THR  11  -2.447  17.475  -5.837
  101   1HG2  THR  11          HG21      THR  11  -3.071  15.119  -6.398
  102   2HG2  THR  11          HG22      THR  11  -2.407  13.903  -5.301
  103   3HG2  THR  11          HG23      THR  11  -3.786  14.902  -4.786
  104    H    GLY  12           H        GLY  12  -2.853  17.506  -2.286
  105   1HA   GLY  12          HA2       GLY  12  -5.003  16.028  -1.128
  106   2HA   GLY  12          HA3       GLY  12  -3.739  16.408   0.067
  107    H    GLU  13           H        GLU  13  -6.248  17.495   0.377
  108    HA   GLU  13           HA       GLU  13  -5.945  20.366  -0.409
  109   1HB   GLU  13          HB2       GLU  13  -8.345  18.478  -0.378
  110   2HB   GLU  13          HB3       GLU  13  -8.476  20.227  -0.592
  111   1HG   GLU  13          HG2       GLU  13  -6.997  20.077  -2.605
  112   2HG   GLU  13          HG3       GLU  13  -6.999  18.319  -2.448
  113    H    LYS  14           H        LYS  14  -5.984  18.429   2.408
  114    HA   LYS  14           HA       LYS  14  -7.993  20.102   3.784
  115   1HB   LYS  14          HB2       LYS  14  -8.003  17.650   4.015
  116   2HB   LYS  14          HB3       LYS  14  -6.441  17.732   4.859
  117   1HG   LYS  14          HG2       LYS  14  -7.415  19.010   6.667
  118   2HG   LYS  14          HG3       LYS  14  -8.969  19.126   5.798
  119   1HD   LYS  14          HD2       LYS  14  -9.397  16.800   6.005
  120   2HD   LYS  14          HD3       LYS  14  -7.748  16.444   6.563
  121   1HE   LYS  14          HE2       LYS  14  -8.074  17.523   8.647
  122   2HE   LYS  14          HE3       LYS  14  -9.551  18.343   8.102
  123   1HZ   LYS  14          HZ1       LYS  14  -9.339  15.416   8.475
  124   2HZ   LYS  14          HZ2       LYS  14 -10.002  16.447   9.567
  125   3HZ   LYS  14          HZ3       LYS  14 -10.699  16.252   8.098
  126    H    ALA  15           H        ALA  15  -4.432  19.499   4.016
  127    HA   ALA  15           HA       ALA  15  -4.089  22.236   4.825
  128   1HB   ALA  15          HB1       ALA  15  -4.517  21.343   7.094
  129   2HB   ALA  15          HB2       ALA  15  -3.272  20.105   6.874
  130   3HB   ALA  15          HB3       ALA  15  -2.826  21.810   6.943
  131    H    TRP  16           H        TRP  16  -1.781  22.773   4.931
  132    HA   TRP  16           HA       TRP  16   0.111  20.958   3.570
  133   1HB   TRP  16          HB2       TRP  16   0.662  23.118   2.145
  134   2HB   TRP  16          HB3       TRP  16  -0.493  21.907   1.662
  135    HD1  TRP  16           HD1      TRP  16  -2.062  23.153   0.216
  136    HE1  TRP  16           HE1      TRP  16  -3.702  25.084   0.446
  137    HE3  TRP  16           HE3      TRP  16  -0.709  24.840   4.891
  138    HZ2  TRP  16           HZ2      TRP  16  -4.385  27.092   2.409
  139    HZ3  TRP  16           HZ3      TRP  16  -1.893  26.747   5.903
  140    HH2  TRP  16           HH2      TRP  16  -3.733  27.887   4.680
  141    H    LEU  17           H        LEU  17   0.397  21.133   6.034
  142    HA   LEU  17           HA       LEU  17   1.144  23.519   7.366
  143   1HB   LEU  17          HB2       LEU  17   0.250  21.633   8.548
  144   2HB   LEU  17          HB3       LEU  17   1.496  20.561   7.931
  145    HG   LEU  17           HG       LEU  17   3.220  21.773   9.262
  146   1HD1  LEU  17          HD11      LEU  17   2.226  24.007   9.454
  147   2HD1  LEU  17          HD12      LEU  17   0.822  23.341  10.311
  148   3HD1  LEU  17          HD13      LEU  17   2.435  23.326  11.065
  149   1HD2  LEU  17          HD21      LEU  17   2.084  19.772  10.144
  150   2HD2  LEU  17          HD22      LEU  17   2.476  20.915  11.434
  151   3HD2  LEU  17          HD23      LEU  17   0.804  20.788  10.831
  152    H    ASN  18           H        ASN  18   2.907  24.638   7.164
  153    HA   ASN  18           HA       ASN  18   5.030  25.354   7.098
  154   1HB   ASN  18          HB2       ASN  18   6.043  22.565   6.584
  155   2HB   ASN  18          HB3       ASN  18   6.996  23.987   6.934
  156   1HD2  ASN  18          HD22      ASN  18   6.180  21.255   8.315
  157   2HD2  ASN  18          HD21      ASN  18   6.077  21.734  10.013
  158    H    GLY  19           H        GLY  19   3.927  22.971   4.728
  159   1HA   GLY  19          HA2       GLY  19   3.675  24.550   2.549
  160   2HA   GLY  19          HA3       GLY  19   5.389  24.094   2.460
  161    H    GLU  20           H        GLU  20   3.957  23.220   0.397
  162    HA   GLU  20           HA       GLU  20   3.939  20.312   0.779
  163   1HB   GLU  20          HB2       GLU  20   1.922  20.100  -0.574
  164   2HB   GLU  20          HB3       GLU  20   1.657  21.002   0.911
  165   1HG   GLU  20          HG2       GLU  20   0.346  22.031  -0.768
  166   2HG   GLU  20          HG3       GLU  20   1.635  23.138  -0.334
  167    H    VAL  21           H        VAL  21   4.159  19.221  -1.426
  168    HA   VAL  21           HA       VAL  21   5.493  20.736  -3.513
  169    HB   VAL  21           HB       VAL  21   7.211  20.639  -1.764
  170   1HG1  VAL  21          HG11      VAL  21   8.234  18.588  -0.997
  171   2HG1  VAL  21          HG12      VAL  21   6.534  18.615  -0.526
  172   3HG1  VAL  21          HG13      VAL  21   7.054  17.605  -1.894
  173   1HG2  VAL  21          HG21      VAL  21   7.923  20.547  -4.091
  174   2HG2  VAL  21          HG22      VAL  21   9.049  19.712  -3.013
  175   3HG2  VAL  21          HG23      VAL  21   7.943  18.768  -4.024
  176    H    THR  22           H        THR  22   6.064  19.213  -5.335
  177    HA   THR  22           HA       THR  22   4.067  17.011  -5.428
  178    HB   THR  22           HB       THR  22   4.233  17.610  -7.934
  179    HG1  THR  22           HG1      THR  22   5.048  19.732  -8.299
  180   1HG2  THR  22          HG21      THR  22   2.749  19.506  -7.759
  181   2HG2  THR  22          HG22      THR  22   2.335  18.296  -6.530
  182   3HG2  THR  22          HG23      THR  22   3.218  19.775  -6.060
  183    H    ARG  23           H        ARG  23   4.510  15.294  -6.979
  184    HA   ARG  23           HA       ARG  23   7.077  14.094  -6.861
  185   1HB   ARG  23          HB2       ARG  23   6.082  12.400  -8.288
  186   2HB   ARG  23          HB3       ARG  23   4.910  12.899  -7.073
  187   1HG   ARG  23          HG2       ARG  23   3.900  14.460  -8.851
  188   2HG   ARG  23          HG3       ARG  23   4.951  13.674 -10.027
  189   1HD   ARG  23          HD2       ARG  23   2.800  12.350  -8.326
  190   2HD   ARG  23          HD3       ARG  23   2.667  12.727 -10.038
  191    HE   ARG  23           HE       ARG  23   3.977  10.459  -8.798
  192   1HH1  ARG  23          HH21      ARG  23   3.922  12.428 -11.772
  193   2HH1  ARG  23          HH22      ARG  23   4.622  11.199 -12.755
  194   1HH2  ARG  23          HH11      ARG  23   4.880   8.868 -10.076
  195   2HH2  ARG  23          HH12      ARG  23   5.181   9.101 -11.777
  196    H    GLU  24           H        GLU  24   6.597  16.872  -8.474
  197    HA   GLU  24           HA       GLU  24   8.741  16.097 -10.408
  198   1HB   GLU  24          HB2       GLU  24   7.821  17.678 -12.033
  199   2HB   GLU  24          HB3       GLU  24   6.609  16.468 -11.600
  200   1HG   GLU  24          HG2       GLU  24   5.497  18.062 -10.088
  201   2HG   GLU  24          HG3       GLU  24   6.734  19.274 -10.403
  202    H    GLN  25           H        GLN  25   8.151  17.750  -7.632
  203    HA   GLN  25           HA       GLN  25  10.352  19.701  -8.143
  204   1HB   GLN  25          HB2       GLN  25   8.082  20.705  -8.035
  205   2HB   GLN  25          HB3       GLN  25   7.844  20.005  -6.433
  206   1HG   GLN  25          HG2       GLN  25   9.683  21.354  -5.540
  207   2HG   GLN  25          HG3       GLN  25  10.044  21.983  -7.155
  208   1HE2  GLN  25          HE22      GLN  25   8.239  23.285  -8.243
  209   2HE2  GLN  25          HE21      GLN  25   7.181  24.218  -7.217
  210    H    LEU  26           H        LEU  26   8.875  17.298  -6.002
  211    HA   LEU  26           HA       LEU  26  10.723  17.480  -3.795
  212   1HB   LEU  26          HB2       LEU  26   8.399  16.507  -3.817
  213   2HB   LEU  26          HB3       LEU  26   8.962  15.240  -4.905
  214    HG   LEU  26           HG       LEU  26  10.360  14.291  -3.153
  215   1HD1  LEU  26          HD11      LEU  26  10.969  16.319  -1.907
  216   2HD1  LEU  26          HD12      LEU  26   9.283  16.556  -1.417
  217   3HD1  LEU  26          HD13      LEU  26  10.197  15.156  -0.820
  218   1HD2  LEU  26          HD21      LEU  26   8.034  13.560  -3.347
  219   2HD2  LEU  26          HD22      LEU  26   8.464  13.607  -1.633
  220   3HD2  LEU  26          HD23      LEU  26   7.479  14.902  -2.325
  221    H    ILE  27           H        ILE  27  10.858  16.118  -7.002
  222    HA   ILE  27           HA       ILE  27  13.365  14.671  -6.395
  223    HB   ILE  27           HB       ILE  27  12.334  13.116  -8.322
  224   1HG1  ILE  27          HG12      ILE  27   9.804  13.676  -6.733
  225   2HG1  ILE  27          HG13      ILE  27  10.119  14.312  -8.353
  226   1HG2  ILE  27          HG21      ILE  27  11.654  12.679  -5.384
  227   2HG2  ILE  27          HG22      ILE  27  12.022  11.449  -6.621
  228   3HG2  ILE  27          HG23      ILE  27  13.288  12.504  -6.055
  229   1HD1  ILE  27          HD11      ILE  27  10.311  12.053  -9.264
  230   2HD1  ILE  27          HD12      ILE  27  10.113  11.350  -7.648
  231   3HD1  ILE  27          HD13      ILE  27   8.772  12.205  -8.384
  232    H    GLY  28           H        GLY  28  14.433  13.999  -8.500
  233   1HA   GLY  28          HA2       GLY  28  15.063  14.694 -10.712
  234   2HA   GLY  28          HA3       GLY  28  14.496  16.332 -10.359
  235    H    GLU  29           H        GLU  29  15.890  15.590  -7.500
  236    HA   GLU  29           HA       GLU  29  18.597  16.528  -8.359
  237   1HB   GLU  29          HB2       GLU  29  17.052  18.391  -7.792
  238   2HB   GLU  29          HB3       GLU  29  16.655  17.616  -6.261
  239   1HG   GLU  29          HG2       GLU  29  19.048  17.926  -5.526
  240   2HG   GLU  29          HG3       GLU  29  19.357  18.791  -7.034
  241    H    LYS  30           H        LYS  30  16.771  15.325  -5.434
  242    HA   LYS  30           HA       LYS  30  19.172  13.840  -4.652
  243   1HB   LYS  30          HB2       LYS  30  19.327  14.905  -2.467
  244   2HB   LYS  30          HB3       LYS  30  19.552  16.078  -3.750
  245   1HG   LYS  30          HG2       LYS  30  17.053  16.687  -3.413
  246   2HG   LYS  30          HG3       LYS  30  17.163  15.723  -1.922
  247   1HD   LYS  30          HD2       LYS  30  19.082  17.148  -1.188
  248   2HD   LYS  30          HD3       LYS  30  18.897  18.127  -2.645
  249   1HE   LYS  30          HE2       LYS  30  16.825  17.803  -0.425
  250   2HE   LYS  30          HE3       LYS  30  17.900  19.183  -0.664
  251   1HZ   LYS  30          HZ1       LYS  30  15.587  18.408  -2.300
  252   2HZ   LYS  30          HZ2       LYS  30  15.941  19.848  -1.642
  253   3HZ   LYS  30          HZ3       LYS  30  16.788  19.345  -2.956
  254    HA   PRO  31           HA       PRO  31  16.239  10.856  -3.292
  255   1HB   PRO  31          HB2       PRO  31  17.805  10.730  -0.711
  256   2HB   PRO  31          HB3       PRO  31  17.199   9.381  -1.731
  257   1HG   PRO  31          HG2       PRO  31  19.787  10.096  -1.911
  258   2HG   PRO  31          HG3       PRO  31  18.844   9.822  -3.409
  259   1HD   PRO  31          HD2       PRO  31  19.500  12.465  -2.077
  260   2HD   PRO  31          HD3       PRO  31  19.629  11.999  -3.800
  261    H    THR  32           H        THR  32  14.699  10.244  -1.554
  262    HA   THR  32           HA       THR  32  13.729  12.594   0.020
  263    HB   THR  32           HB       THR  32  12.277  10.999  -2.113
  264    HG1  THR  32           HG1      THR  32  13.427  12.703  -2.931
  265   1HG2  THR  32          HG21      THR  32  11.108  13.036  -0.176
  266   2HG2  THR  32          HG22      THR  32  10.320  12.425  -1.651
  267   3HG2  THR  32          HG23      THR  32  10.655  11.321  -0.332
  268    H    LEU  33           H        LEU  33  12.348  12.097   1.724
  269    HA   LEU  33           HA       LEU  33  11.804   9.254   2.370
  270   1HB   LEU  33          HB2       LEU  33  13.549   9.792   3.924
  271   2HB   LEU  33          HB3       LEU  33  12.921  11.427   4.177
  272    HG   LEU  33           HG       LEU  33  10.983  10.583   5.396
  273   1HD1  LEU  33          HD11      LEU  33  10.647   8.392   4.275
  274   2HD1  LEU  33          HD12      LEU  33  12.142   7.787   5.001
  275   3HD1  LEU  33          HD13      LEU  33  10.741   8.242   6.010
  276   1HD2  LEU  33          HD21      LEU  33  12.109   9.768   7.385
  277   2HD2  LEU  33          HD22      LEU  33  13.535   9.302   6.435
  278   3HD2  LEU  33          HD23      LEU  33  13.098  11.013   6.615
  279    H    ILE  34           H        ILE  34   9.611   9.093   2.335
  280    HA   ILE  34           HA       ILE  34   7.987  11.455   3.146
  281    HB   ILE  34           HB       ILE  34   6.992   9.059   1.580
  282   1HG1  ILE  34          HG12      ILE  34   7.847  11.785   0.496
  283   2HG1  ILE  34          HG13      ILE  34   8.598  10.236   0.144
  284   1HG2  ILE  34          HG21      ILE  34   5.751  11.805   2.100
  285   2HG2  ILE  34          HG22      ILE  34   4.984  10.439   1.263
  286   3HG2  ILE  34          HG23      ILE  34   5.334  10.321   2.975
  287   1HD1  ILE  34          HD11      ILE  34   6.467   9.467  -0.914
  288   2HD1  ILE  34          HD12      ILE  34   5.835  11.124  -0.731
  289   3HD1  ILE  34          HD13      ILE  34   7.262  10.829  -1.733
  290    H    HIS  35           H        HIS  35   6.865  11.104   5.104
  291    HA   HIS  35           HA       HIS  35   6.514   8.262   5.876
  292   1HB   HIS  35          HB2       HIS  35   7.106   8.522   8.089
  293   2HB   HIS  35          HB3       HIS  35   8.418   9.241   7.178
  294    HD1  HIS  35           HD1      HIS  35   6.178   9.916  10.032
  295    HD2  HIS  35           HD2      HIS  35   8.277  12.131   7.132
  296    HE1  HIS  35           HE1      HIS  35   6.329  12.293  10.918
  297    H    PHE  36           H        PHE  36   4.821   7.839   7.343
  298    HA   PHE  36           HA       PHE  36   2.407   9.507   6.833
  299   1HB   PHE  36          HB2       PHE  36   2.794   6.511   6.639
  300   2HB   PHE  36          HB3       PHE  36   1.242   7.340   6.577
  301    HD1  PHE  36           HD1      PHE  36   0.470   8.400   4.551
  302    HD2  PHE  36           HD2      PHE  36   4.533   6.994   4.839
  303    HE1  PHE  36           HE1      PHE  36   0.822   8.906   2.149
  304    HE2  PHE  36           HE2      PHE  36   4.886   7.510   2.436
  305    HZ   PHE  36           HZ       PHE  36   3.043   8.500   1.098
  306    H    TRP  37           H        TRP  37   1.552  10.094   8.859
  307    HA   TRP  37           HA       TRP  37   1.980   8.326  11.212
  308   1HB   TRP  37          HB2       TRP  37   3.039  10.236  12.442
  309   2HB   TRP  37          HB3       TRP  37   4.023   9.583  11.147
  310    HD1  TRP  37           HD1      TRP  37   3.792  11.037   8.733
  311    HE1  TRP  37           HE1      TRP  37   3.702  13.554   8.365
  312    HE3  TRP  37           HE3      TRP  37   2.704  12.531  13.508
  313    HZ2  TRP  37           HZ2      TRP  37   3.287  15.924   9.925
  314    HZ3  TRP  37           HZ3      TRP  37   2.498  14.952  14.025
  315    HH2  TRP  37           HH2      TRP  37   2.783  16.655  12.248
  316    H    SER  38           H        SER  38   1.010   9.335  13.201
  317    HA   SER  38           HA       SER  38  -1.390  11.003  12.780
  318   1HB   SER  38          HB2       SER  38  -1.302   8.108  13.704
  319   2HB   SER  38          HB3       SER  38  -2.659   9.178  14.034
  320    HG   SER  38           HG       SER  38  -2.829   9.507  11.730
  321    H    ILE  39           H        ILE  39  -1.479  12.406  14.575
  322    HA   ILE  39           HA       ILE  39   0.577  12.288  16.562
  323    HB   ILE  39           HB       ILE  39  -0.594  14.089  17.701
  324   1HG1  ILE  39          HG12      ILE  39  -2.745  13.992  15.541
  325   2HG1  ILE  39          HG13      ILE  39  -2.977  13.569  17.240
  326   1HG2  ILE  39          HG21      ILE  39   0.015  15.740  16.154
  327   2HG2  ILE  39          HG22      ILE  39   0.953  14.337  15.635
  328   3HG2  ILE  39          HG23      ILE  39  -0.542  14.821  14.782
  329   1HD1  ILE  39          HD11      ILE  39  -3.741  15.821  16.948
  330   2HD1  ILE  39          HD12      ILE  39  -2.236  15.900  17.869
  331   3HD1  ILE  39          HD13      ILE  39  -2.257  16.313  16.136
  332    H    SER  40           H        SER  40  -2.571  10.757  16.481
  333    HA   SER  40           HA       SER  40  -2.997  10.422  19.229
  334   1HB   SER  40          HB2       SER  40  -3.773   8.576  16.934
  335   2HB   SER  40          HB3       SER  40  -4.546   8.652  18.533
  336    HG   SER  40           HG       SER  40  -4.431  10.609  16.491
  337    H    CYS  41           H        CYS  41  -0.412   8.880  17.442
  338    HA   CYS  41           HA       CYS  41  -0.504   6.504  19.255
  339   1HB   CYS  41          HB2       CYS  41   0.858   6.821  16.566
  340   2HB   CYS  41          HB3       CYS  41   0.702   5.332  17.505
  341    HG   CYS  41           HG       CYS  41  -1.916   5.235  17.455
  342    H    HIS  42           H        HIS  42   1.212   6.103  20.609
  343    HA   HIS  42           HA       HIS  42   2.958   8.251  21.147
  344   1HB   HIS  42          HB2       HIS  42   2.200   6.640  22.841
  345   2HB   HIS  42          HB3       HIS  42   3.120   5.350  22.057
  346    HD1  HIS  42           HD1      HIS  42   3.804   8.689  23.944
  347    HD2  HIS  42           HD2      HIS  42   5.638   5.079  22.778
  348    HE1  HIS  42           HE1      HIS  42   6.090   8.653  25.059
  349    H    LEU  43           H        LEU  43   3.536   5.268  19.250
  350    HA   LEU  43           HA       LEU  43   6.357   5.683  18.967
  351   1HB   LEU  43          HB2       LEU  43   4.276   4.106  17.450
  352   2HB   LEU  43          HB3       LEU  43   5.788   4.447  16.634
  353    HG   LEU  43           HG       LEU  43   5.720   2.246  17.739
  354   1HD1  LEU  43          HD11      LEU  43   7.859   3.340  17.171
  355   2HD1  LEU  43          HD12      LEU  43   7.913   4.090  18.783
  356   3HD1  LEU  43          HD13      LEU  43   7.997   2.325  18.611
  357   1HD2  LEU  43          HD21      LEU  43   4.494   2.859  19.801
  358   2HD2  LEU  43          HD22      LEU  43   6.011   2.011  20.138
  359   3HD2  LEU  43          HD23      LEU  43   5.914   3.766  20.372
  360    H    CYS  44           H        CYS  44   3.565   7.114  17.221
  361    HA   CYS  44           HA       CYS  44   5.161   8.525  15.283
  362   1HB   CYS  44          HB2       CYS  44   2.508   9.377  16.503
  363   2HB   CYS  44          HB3       CYS  44   3.271  10.049  15.072
  364    HG   CYS  44           HG       CYS  44   1.117   8.299  14.890
  365    H    LYS  45           H        LYS  45   3.999   9.412  18.618
  366    HA   LYS  45           HA       LYS  45   5.251  11.963  18.549
  367   1HB   LYS  45          HB2       LYS  45   4.796  10.220  21.001
  368   2HB   LYS  45          HB3       LYS  45   5.089  11.960  20.975
  369   1HG   LYS  45          HG2       LYS  45   2.551  10.565  20.108
  370   2HG   LYS  45          HG3       LYS  45   2.789  11.776  21.365
  371   1HD   LYS  45          HD2       LYS  45   3.644  13.230  19.216
  372   2HD   LYS  45          HD3       LYS  45   2.605  12.070  18.383
  373   1HE   LYS  45          HE2       LYS  45   1.223  13.923  18.811
  374   2HE   LYS  45          HE3       LYS  45   0.766  12.771  20.066
  375   1HZ   LYS  45          HZ1       LYS  45   2.219  14.018  21.600
  376   2HZ   LYS  45          HZ2       LYS  45   2.608  15.090  20.416
  377   3HZ   LYS  45          HZ3       LYS  45   1.073  14.990  20.980
  378    H    GLU  46           H        GLU  46   6.813   8.911  18.946
  379    HA   GLU  46           HA       GLU  46   9.248  10.167  20.077
  380   1HB   GLU  46          HB2       GLU  46   8.554   7.342  19.168
  381   2HB   GLU  46          HB3       GLU  46  10.084   7.796  19.917
  382   1HG   GLU  46          HG2       GLU  46   7.399   8.306  21.312
  383   2HG   GLU  46          HG3       GLU  46   8.226   6.755  21.399
  384    H    ALA  47           H        ALA  47   8.051   8.729  17.012
  385    HA   ALA  47           HA       ALA  47  10.472   9.125  15.534
  386   1HB   ALA  47          HB1       ALA  47   7.542   8.963  14.640
  387   2HB   ALA  47          HB2       ALA  47   8.934   8.902  13.551
  388   3HB   ALA  47          HB3       ALA  47   8.685   7.602  14.740
  389    H    MET  48           H        MET  48   7.629  11.235  16.142
  390    HA   MET  48           HA       MET  48   8.117  13.210  14.310
  391   1HB   MET  48          HB2       MET  48   6.757  13.069  17.006
  392   2HB   MET  48          HB3       MET  48   6.830  14.578  16.093
  393   1HG   MET  48          HG2       MET  48   5.610  13.659  14.249
  394   2HG   MET  48          HG3       MET  48   5.938  12.010  14.726
  395   1HE   MET  48          HE1       MET  48   3.974  15.246  15.515
  396   2HE   MET  48          HE2       MET  48   3.097  14.793  17.003
  397   3HE   MET  48          HE3       MET  48   4.883  14.868  16.976
  398    HA   PRO  49           HA       PRO  49  11.001  15.692  17.235
  399   1HB   PRO  49          HB2       PRO  49  12.309  14.148  19.203
  400   2HB   PRO  49          HB3       PRO  49  11.023  15.370  19.470
  401   1HG   PRO  49          HG2       PRO  49  10.835  12.390  19.361
  402   2HG   PRO  49          HG3       PRO  49   9.871  13.533  20.335
  403   1HD   PRO  49          HD2       PRO  49   8.921  12.348  18.053
  404   2HD   PRO  49          HD3       PRO  49   8.416  13.984  18.563
  405    H    GLN  50           H        GLN  50  11.614  12.136  16.660
  406    HA   GLN  50           HA       GLN  50  14.337  12.738  16.003
  407   1HB   GLN  50          HB2       GLN  50  13.179  10.398  16.507
  408   2HB   GLN  50          HB3       GLN  50  13.145  10.298  14.745
  409   1HG   GLN  50          HG2       GLN  50  15.709  11.192  16.126
  410   2HG   GLN  50          HG3       GLN  50  15.236   9.516  16.282
  411   1HE2  GLN  50          HE22      GLN  50  14.886   8.265  14.253
  412   2HE2  GLN  50          HE21      GLN  50  15.958   8.595  12.898
  413    H    VAL  51           H        VAL  51  11.353  12.757  14.043
  414    HA   VAL  51           HA       VAL  51  12.513  13.213  11.507
  415    HB   VAL  51           HB       VAL  51   9.880  14.255  12.644
  416   1HG1  VAL  51          HG11      VAL  51   9.152  14.515  10.347
  417   2HG1  VAL  51          HG12      VAL  51  10.451  15.642  10.747
  418   3HG1  VAL  51          HG13      VAL  51  10.797  14.199   9.764
  419   1HG2  VAL  51          HG21      VAL  51  10.161  12.019  10.621
  420   2HG2  VAL  51          HG22      VAL  51  10.211  11.664  12.344
  421   3HG2  VAL  51          HG23      VAL  51   8.789  12.441  11.658
  422    H    ASN  52           H        ASN  52  12.022  15.447  14.318
  423    HA   ASN  52           HA       ASN  52  12.791  17.792  12.863
  424   1HB   ASN  52          HB2       ASN  52  12.265  18.748  14.755
  425   2HB   ASN  52          HB3       ASN  52  12.102  17.211  15.564
  426   1HD2  ASN  52          HD22      ASN  52  13.979  16.389  16.809
  427   2HD2  ASN  52          HD21      ASN  52  15.187  17.526  17.378
  428    H    GLU  53           H        GLU  53  14.874  15.428  14.729
  429    HA   GLU  53           HA       GLU  53  17.204  16.952  13.817
  430   1HB   GLU  53          HB2       GLU  53  18.602  15.266  14.780
  431   2HB   GLU  53          HB3       GLU  53  17.391  15.848  15.922
  432   1HG   GLU  53          HG2       GLU  53  16.101  13.837  15.710
  433   2HG   GLU  53          HG3       GLU  53  17.092  13.270  14.356
  434    H    PHE  54           H        PHE  54  15.297  14.362  12.410
  435    HA   PHE  54           HA       PHE  54  17.232  13.346  10.569
  436   1HB   PHE  54          HB2       PHE  54  14.752  12.583  11.327
  437   2HB   PHE  54          HB3       PHE  54  14.295  13.464   9.892
  438    HD1  PHE  54           HD1      PHE  54  15.336  12.705   7.654
  439    HD2  PHE  54           HD2      PHE  54  15.644  10.448  11.314
  440    HE1  PHE  54           HE1      PHE  54  15.887  10.681   6.363
  441    HE2  PHE  54           HE2      PHE  54  16.118   8.393  10.015
  442    HZ   PHE  54           HZ       PHE  54  16.259   8.496   7.541
  443    H    ARG  55           H        ARG  55  14.708  15.859  10.448
  444    HA   ARG  55           HA       ARG  55  15.205  16.823   7.862
  445   1HB   ARG  55          HB2       ARG  55  13.196  17.467   8.877
  446   2HB   ARG  55          HB3       ARG  55  13.961  17.916  10.366
  447   1HG   ARG  55          HG2       ARG  55  14.984  19.760   8.393
  448   2HG   ARG  55          HG3       ARG  55  13.275  19.564   8.060
  449   1HD   ARG  55          HD2       ARG  55  13.758  21.440   9.632
  450   2HD   ARG  55          HD3       ARG  55  12.691  20.209  10.330
  451    HE   ARG  55           HE       ARG  55  15.250  19.429  11.035
  452   1HH1  ARG  55          HH22      ARG  55  13.058  22.118  11.835
  453   2HH1  ARG  55          HH21      ARG  55  13.514  22.112  13.514
  454   1HH2  ARG  55          HH11      ARG  55  15.852  19.553  13.196
  455   2HH2  ARG  55          HH12      ARG  55  15.152  20.706  14.266
  456    H    ASP  56           H        ASP  56  16.915  17.604  10.964
  457    HA   ASP  56           HA       ASP  56  18.361  19.797   9.685
  458   1HB   ASP  56          HB2       ASP  56  18.006  19.779  12.077
  459   2HB   ASP  56          HB3       ASP  56  18.861  18.234  12.223
  460    H    LYS  57           H        LYS  57  19.039  16.374  10.524
  461    HA   LYS  57           HA       LYS  57  21.715  16.388   9.756
  462   1HB   LYS  57          HB2       LYS  57  19.652  14.165   9.928
  463   2HB   LYS  57          HB3       LYS  57  21.315  13.825   9.453
  464   1HG   LYS  57          HG2       LYS  57  22.199  14.713  11.530
  465   2HG   LYS  57          HG3       LYS  57  20.606  15.216  12.069
  466   1HD   LYS  57          HD2       LYS  57  21.540  12.340  11.655
  467   2HD   LYS  57          HD3       LYS  57  21.317  13.181  13.197
  468   1HE   LYS  57          HE2       LYS  57  18.862  13.526  12.444
  469   2HE   LYS  57          HE3       LYS  57  19.190  12.297  11.214
  470   1HZ   LYS  57          HZ1       LYS  57  18.229  11.319  13.197
  471   2HZ   LYS  57          HZ2       LYS  57  19.780  10.775  13.092
  472   3HZ   LYS  57          HZ3       LYS  57  19.362  11.960  14.161
  473    H    TYR  58           H        TYR  58  18.813  15.977   7.761
  474    HA   TYR  58           HA       TYR  58  20.580  15.513   5.408
  475   1HB   TYR  58          HB2       TYR  58  17.823  14.395   5.942
  476   2HB   TYR  58          HB3       TYR  58  18.853  14.050   4.559
  477    HD1  TYR  58           HD1      TYR  58  17.860  12.822   7.699
  478    HD2  TYR  58           HD2      TYR  58  21.342  13.191   5.200
  479    HE1  TYR  58           HE1      TYR  58  18.940  10.985   8.956
  480    HE2  TYR  58           HE2      TYR  58  22.458  11.393   6.469
  481    HH   TYR  58           HH       TYR  58  22.307   9.926   8.278
  482    H    GLN  59           H        GLN  59  18.603  18.042   6.526
  483    HA   GLN  59           HA       GLN  59  17.145  18.633   4.270
  484   1HB   GLN  59          HB2       GLN  59  17.396  21.087   4.896
  485   2HB   GLN  59          HB3       GLN  59  16.710  20.003   6.074
  486   1HG   GLN  59          HG2       GLN  59  18.204  21.658   7.095
  487   2HG   GLN  59          HG3       GLN  59  18.731  20.025   7.407
  488   1HE2  GLN  59          HE22      GLN  59  20.896  19.757   7.333
  489   2HE2  GLN  59          HE21      GLN  59  21.984  20.649   6.285
  490    H    ASP  60           H        ASP  60  20.546  18.621   4.254
  491    HA   ASP  60           HA       ASP  60  20.660  20.187   1.708
  492   1HB   ASP  60          HB2       ASP  60  22.062  20.959   3.626
  493   2HB   ASP  60          HB3       ASP  60  22.890  19.403   3.622
  494    H    GLN  61           H        GLN  61  20.036  17.127   2.448
  495    HA   GLN  61           HA       GLN  61  21.879  15.898   0.450
  496   1HB   GLN  61          HB2       GLN  61  21.136  14.698   3.141
  497   2HB   GLN  61          HB3       GLN  61  22.217  14.030   1.919
  498   1HG   GLN  61          HG2       GLN  61  23.698  16.085   2.249
  499   2HG   GLN  61          HG3       GLN  61  22.698  16.491   3.647
  500   1HE2  GLN  61          HE22      GLN  61  22.986  15.262   5.643
  501   2HE2  GLN  61          HE21      GLN  61  24.225  14.048   5.762
  502    H    LEU  62           H        LEU  62  18.605  15.982   1.930
  503    HA   LEU  62           HA       LEU  62  17.491  14.313  -0.104
  504   1HB   LEU  62          HB2       LEU  62  18.055  12.428   1.014
  505   2HB   LEU  62          HB3       LEU  62  18.231  13.195   2.568
  506    HG   LEU  62           HG       LEU  62  15.435  12.755   1.500
  507   1HD1  LEU  62          HD11      LEU  62  16.459  10.588   1.187
  508   2HD1  LEU  62          HD12      LEU  62  17.141  10.649   2.819
  509   3HD1  LEU  62          HD13      LEU  62  15.390  10.552   2.589
  510   1HD2  LEU  62          HD21      LEU  62  14.885  12.621   3.845
  511   2HD2  LEU  62          HD22      LEU  62  16.599  12.612   4.311
  512   3HD2  LEU  62          HD23      LEU  62  15.870  14.073   3.623
  513    H    ASN  63           H        ASN  63  15.106  14.309   0.234
  514    HA   ASN  63           HA       ASN  63  14.210  16.865   1.506
  515   1HB   ASN  63          HB2       ASN  63  12.701  15.039  -0.413
  516   2HB   ASN  63          HB3       ASN  63  12.232  16.640   0.140
  517   1HD2  ASN  63          HD22      ASN  63  14.712  14.872  -1.792
  518   2HD2  ASN  63          HD21      ASN  63  14.595  16.039  -3.064
  519    H    VAL  64           H        VAL  64  13.348  16.534   3.580
  520    HA   VAL  64           HA       VAL  64  12.021  13.926   4.152
  521    HB   VAL  64           HB       VAL  64  12.200  16.219   6.154
  522   1HG1  VAL  64          HG11      VAL  64  12.262  13.182   6.475
  523   2HG1  VAL  64          HG12      VAL  64  12.011  14.408   7.741
  524   3HG1  VAL  64          HG13      VAL  64  10.780  14.138   6.491
  525   1HG2  VAL  64          HG21      VAL  64  14.561  15.952   5.582
  526   2HG2  VAL  64          HG22      VAL  64  14.256  15.095   7.099
  527   3HG2  VAL  64          HG23      VAL  64  14.410  14.180   5.591
  528    H    VAL  65           H        VAL  65   9.814  13.859   3.854
  529    HA   VAL  65           HA       VAL  65   8.253  16.278   4.320
  530    HB   VAL  65           HB       VAL  65   6.885  15.985   2.308
  531   1HG1  VAL  65          HG11      VAL  65   8.304  16.996   0.677
  532   2HG1  VAL  65          HG12      VAL  65   8.768  17.610   2.267
  533   3HG1  VAL  65          HG13      VAL  65   9.775  16.391   1.460
  534   1HG2  VAL  65          HG21      VAL  65   8.980  13.998   1.327
  535   2HG2  VAL  65          HG22      VAL  65   7.311  13.616   1.804
  536   3HG2  VAL  65          HG23      VAL  65   7.606  14.638   0.397
  537    H    ALA  66           H        ALA  66   5.876  15.640   4.513
  538    HA   ALA  66           HA       ALA  66   5.502  12.753   5.035
  539   1HB   ALA  66          HB1       ALA  66   5.113  12.982   7.309
  540   2HB   ALA  66          HB2       ALA  66   6.512  13.999   7.027
  541   3HB   ALA  66          HB3       ALA  66   4.926  14.767   7.224
  542    H    VAL  67           H        VAL  67   3.378  12.220   5.922
  543    HA   VAL  67           HA       VAL  67   1.188  13.871   4.782
  544    HB   VAL  67           HB       VAL  67   1.577  10.867   4.478
  545   1HG1  VAL  67          HG11      VAL  67  -0.283  11.070   2.852
  546   2HG1  VAL  67          HG12      VAL  67  -0.775  11.606   4.461
  547   3HG1  VAL  67          HG13      VAL  67  -0.398  12.808   3.206
  548   1HG2  VAL  67          HG21      VAL  67   3.263  11.862   3.072
  549   2HG2  VAL  67          HG22      VAL  67   1.932  11.384   2.024
  550   3HG2  VAL  67          HG23      VAL  67   2.128  13.091   2.480
  551    H    HIS  68           H        HIS  68  -0.196  14.295   6.476
  552    HA   HIS  68           HA       HIS  68   0.060  12.607   8.899
  553   1HB   HIS  68          HB2       HIS  68  -0.020  15.217   8.894
  554   2HB   HIS  68          HB3       HIS  68  -1.766  14.999   8.692
  555    HD1  HIS  68           HD1      HIS  68   1.047  14.373  11.204
  556    HD2  HIS  68           HD2      HIS  68  -3.062  13.587  10.721
  557    HE1  HIS  68           HE1      HIS  68   0.240  13.413  13.379
  558    H    MET  69           H        MET  69  -1.264  10.889   9.114
  559    HA   MET  69           HA       MET  69  -3.615  10.640   7.376
  560   1HB   MET  69          HB2       MET  69  -1.943   8.801   7.764
  561   2HB   MET  69          HB3       MET  69  -2.515   8.703   9.431
  562   1HG   MET  69          HG2       MET  69  -3.538   6.993   8.058
  563   2HG   MET  69          HG3       MET  69  -4.777   8.109   8.630
  564   1HE   MET  69          HE1       MET  69  -4.266   5.877   6.052
  565   2HE   MET  69          HE2       MET  69  -5.866   6.336   6.679
  566   3HE   MET  69          HE3       MET  69  -5.502   6.527   4.946
  567    HA   PRO  70           HA       PRO  70  -6.138  12.025  10.943
  568   1HB   PRO  70          HB2       PRO  70  -8.533  12.337   9.733
  569   2HB   PRO  70          HB3       PRO  70  -7.158  13.439   9.428
  570   1HG   PRO  70          HG2       PRO  70  -8.004  11.039   7.758
  571   2HG   PRO  70          HG3       PRO  70  -7.697  12.717   7.200
  572   1HD   PRO  70          HD2       PRO  70  -5.782  10.782   7.081
  573   2HD   PRO  70          HD3       PRO  70  -5.382  12.488   7.464
  574    H    ARG  71           H        ARG  71  -5.408   9.578  11.341
  575    HA   ARG  71           HA       ARG  71  -7.270   7.515  10.541
  576   1HB   ARG  71          HB2       ARG  71  -4.667   7.461  10.951
  577   2HB   ARG  71          HB3       ARG  71  -5.104   7.136  12.630
  578   1HG   ARG  71          HG2       ARG  71  -6.351   5.107  11.898
  579   2HG   ARG  71          HG3       ARG  71  -6.023   5.515  10.197
  580   1HD   ARG  71          HD2       ARG  71  -3.573   5.418  10.691
  581   2HD   ARG  71          HD3       ARG  71  -3.936   4.853  12.323
  582    HE   ARG  71           HE       ARG  71  -3.991   3.354   9.822
  583   1HH1  ARG  71          HH21      ARG  71  -5.251   3.326  13.150
  584   2HH1  ARG  71          HH22      ARG  71  -5.422   1.612  13.196
  585   1HH2  ARG  71          HH11      ARG  71  -4.175   1.167   9.883
  586   2HH2  ARG  71          HH12      ARG  71  -4.815   0.328  11.269
  587    H    SER  72           H        SER  72  -7.006   9.544  13.359
  588    HA   SER  72           HA       SER  72  -9.210   8.078  14.727
  589   1HB   SER  72          HB2       SER  72  -7.106   9.496  16.293
  590   2HB   SER  72          HB3       SER  72  -8.011   8.035  16.707
  591    HG   SER  72           HG       SER  72  -5.766   8.417  15.047
  592    H    GLU  73           H        GLU  73 -10.232   9.560  16.438
  593    HA   GLU  73           HA       GLU  73 -11.034  11.981  15.226
  594   1HB   GLU  73          HB2       GLU  73 -12.481  10.740  16.576
  595   2HB   GLU  73          HB3       GLU  73 -11.444  10.919  18.016
  596   1HG   GLU  73          HG2       GLU  73 -11.897  13.349  18.037
  597   2HG   GLU  73          HG3       GLU  73 -12.833  13.205  16.545
  598    H    ASP  74           H        ASP  74  -8.383  11.377  17.549
  599    HA   ASP  74           HA       ASP  74  -8.014  14.241  17.974
  600   1HB   ASP  74          HB2       ASP  74  -7.366  12.435  19.633
  601   2HB   ASP  74          HB3       ASP  74  -5.985  12.088  18.593
  602    H    ASP  75           H        ASP  75  -7.171  12.068  15.382
  603    HA   ASP  75           HA       ASP  75  -4.937  13.787  14.433
  604   1HB   ASP  75          HB2       ASP  75  -6.216  11.419  13.042
  605   2HB   ASP  75          HB3       ASP  75  -4.655  12.168  12.693
  606    H    LEU  76           H        LEU  76  -8.322  13.580  14.282
  607    HA   LEU  76           HA       LEU  76  -8.775  13.919  11.510
  608   1HB   LEU  76          HB2       LEU  76 -10.228  13.305  13.853
  609   2HB   LEU  76          HB3       LEU  76 -11.043  14.706  13.193
  610    HG   LEU  76           HG       LEU  76 -10.449  12.089  11.730
  611   1HD1  LEU  76          HD11      LEU  76 -12.140  11.747  13.483
  612   2HD1  LEU  76          HD12      LEU  76 -13.047  13.167  12.918
  613   3HD1  LEU  76          HD13      LEU  76 -12.909  11.717  11.900
  614   1HD2  LEU  76          HD21      LEU  76 -10.590  13.912  10.112
  615   2HD2  LEU  76          HD22      LEU  76 -12.049  12.929  10.012
  616   3HD2  LEU  76          HD23      LEU  76 -12.100  14.498  10.849
  617    H    ASP  77           H        ASP  77  -7.414  16.293  13.341
  618    HA   ASP  77           HA       ASP  77  -8.961  18.488  12.054
  619   1HB   ASP  77          HB2       ASP  77  -9.714  18.228  14.367
  620   2HB   ASP  77          HB3       ASP  77  -8.043  18.355  14.929
  621    HA   PRO  78           HA       PRO  78  -4.729  19.415  10.954
  622   1HB   PRO  78          HB2       PRO  78  -5.064  21.732   9.569
  623   2HB   PRO  78          HB3       PRO  78  -5.549  20.119   8.944
  624   1HG   PRO  78          HG2       PRO  78  -7.291  22.219  10.270
  625   2HG   PRO  78          HG3       PRO  78  -7.625  21.287   8.773
  626   1HD   PRO  78          HD2       PRO  78  -8.632  20.556  11.211
  627   2HD   PRO  78          HD3       PRO  78  -8.141  19.335  10.002
  628    H    GLY  79           H        GLY  79  -6.655  21.605  12.953
  629   1HA   GLY  79          HA2       GLY  79  -4.523  23.543  13.444
  630   2HA   GLY  79          HA3       GLY  79  -6.069  23.359  14.307
  631    H    LYS  80           H        LYS  80  -5.908  20.569  14.898
  632    HA   LYS  80           HA       LYS  80  -4.209  20.521  17.229
  633   1HB   LYS  80          HB2       LYS  80  -5.383  18.202  15.631
  634   2HB   LYS  80          HB3       LYS  80  -4.465  18.027  17.122
  635   1HG   LYS  80          HG2       LYS  80  -6.148  19.266  18.386
  636   2HG   LYS  80          HG3       LYS  80  -7.113  19.502  16.909
  637   1HD   LYS  80          HD2       LYS  80  -7.299  17.057  16.613
  638   2HD   LYS  80          HD3       LYS  80  -6.278  16.767  18.012
  639   1HE   LYS  80          HE2       LYS  80  -8.869  18.354  18.255
  640   2HE   LYS  80          HE3       LYS  80  -8.886  16.587  18.210
  641   1HZ   LYS  80          HZ1       LYS  80  -7.399  18.179  20.211
  642   2HZ   LYS  80          HZ2       LYS  80  -8.789  17.361  20.476
  643   3HZ   LYS  80          HZ3       LYS  80  -7.421  16.533  20.101
  644    H    ILE  81           H        ILE  81  -3.826  19.081  13.959
  645    HA   ILE  81           HA       ILE  81  -1.321  17.892  14.436
  646    HB   ILE  81           HB       ILE  81  -2.555  18.923  11.853
  647   1HG1  ILE  81          HG12      ILE  81  -2.320  16.058  12.855
  648   2HG1  ILE  81          HG13      ILE  81  -3.708  17.039  13.252
  649   1HG2  ILE  81          HG21      ILE  81  -0.089  18.676  11.568
  650   2HG2  ILE  81          HG22      ILE  81  -0.167  17.040  12.243
  651   3HG2  ILE  81          HG23      ILE  81  -0.928  17.413  10.685
  652   1HD1  ILE  81          HD11      ILE  81  -4.296  17.337  10.895
  653   2HD1  ILE  81          HD12      ILE  81  -2.872  16.413  10.389
  654   3HD1  ILE  81          HD13      ILE  81  -4.165  15.627  11.299
  655    H    LYS  82           H        LYS  82  -1.954  21.141  12.830
  656    HA   LYS  82           HA       LYS  82   0.638  22.050  12.703
  657   1HB   LYS  82          HB2       LYS  82  -1.330  23.106  11.771
  658   2HB   LYS  82          HB3       LYS  82  -1.982  23.436  13.378
  659   1HG   LYS  82          HG2       LYS  82  -0.202  25.055  13.834
  660   2HG   LYS  82          HG3       LYS  82   0.575  24.680  12.276
  661   1HD   LYS  82          HD2       LYS  82  -1.494  25.348  11.091
  662   2HD   LYS  82          HD3       LYS  82  -2.272  25.703  12.643
  663   1HE   LYS  82          HE2       LYS  82  -0.532  27.437  13.111
  664   2HE   LYS  82          HE3       LYS  82   0.235  27.085  11.558
  665   1HZ   LYS  82          HZ1       LYS  82  -1.797  27.842  10.461
  666   2HZ   LYS  82          HZ2       LYS  82  -2.504  28.168  11.900
  667   3HZ   LYS  82          HZ3       LYS  82  -1.202  29.016  11.418
  668    H    GLU  83           H        GLU  83  -1.533  22.470  15.593
  669    HA   GLU  83           HA       GLU  83   0.379  23.975  17.031
  670   1HB   GLU  83          HB2       GLU  83  -2.111  23.825  17.431
  671   2HB   GLU  83          HB3       GLU  83  -1.873  22.206  18.087
  672   1HG   GLU  83          HG2       GLU  83  -2.069  23.677  19.933
  673   2HG   GLU  83          HG3       GLU  83  -0.374  23.225  19.862
  674    H    THR  84           H        THR  84  -0.276  20.469  16.948
  675    HA   THR  84           HA       THR  84   1.505  19.763  19.094
  676    HB   THR  84           HB       THR  84   0.254  18.216  16.768
  677    HG1  THR  84           HG1      THR  84  -1.340  18.944  17.943
  678   1HG2  THR  84          HG21      THR  84   1.655  17.225  19.257
  679   2HG2  THR  84          HG22      THR  84   0.485  16.239  18.340
  680   3HG2  THR  84          HG23      THR  84   1.952  16.830  17.536
  681    H    ALA  85           H        ALA  85   1.834  19.436  15.496
  682    HA   ALA  85           HA       ALA  85   4.430  18.487  15.409
  683   1HB   ALA  85          HB1       ALA  85   4.273  19.421  13.059
  684   2HB   ALA  85          HB2       ALA  85   2.851  18.488  13.573
  685   3HB   ALA  85          HB3       ALA  85   2.808  20.268  13.550
  686    H    ALA  86           H        ALA  86   3.308  21.897  15.564
  687    HA   ALA  86           HA       ALA  86   5.775  23.182  15.177
  688   1HB   ALA  86          HB1       ALA  86   4.774  25.038  16.466
  689   2HB   ALA  86          HB2       ALA  86   3.581  24.343  15.348
  690   3HB   ALA  86          HB3       ALA  86   3.523  23.946  17.088
  691    H    GLU  87           H        GLU  87   4.530  21.514  18.065
  692    HA   GLU  87           HA       GLU  87   6.547  22.696  19.844
  693   1HB   GLU  87          HB2       GLU  87   4.238  20.742  20.145
  694   2HB   GLU  87          HB3       GLU  87   5.417  20.962  21.445
  695   1HG   GLU  87          HG2       GLU  87   3.794  23.224  20.193
  696   2HG   GLU  87          HG3       GLU  87   3.316  22.340  21.637
  697    H    HIS  88           H        HIS  88   5.887  19.549  18.257
  698    HA   HIS  88           HA       HIS  88   8.393  18.370  19.108
  699   1HB   HIS  88          HB2       HIS  88   6.524  17.608  16.849
  700   2HB   HIS  88          HB3       HIS  88   7.776  16.581  17.554
  701    HD1  HIS  88           HD1      HIS  88   7.198  16.468  20.527
  702    HD2  HIS  88           HD2      HIS  88   4.177  17.043  17.651
  703    HE1  HIS  88           HE1      HIS  88   5.006  15.870  21.654
  704    H    ASP  89           H        ASP  89   7.946  20.950  17.140
  705    HA   ASP  89           HA       ASP  89   9.192  22.158  15.800
  706   1HB   ASP  89          HB2       ASP  89  11.008  21.475  17.431
  707   2HB   ASP  89          HB3       ASP  89  11.539  20.292  16.234
  708    H    ILE  90           H        ILE  90   7.732  19.716  14.718
  709    HA   ILE  90           HA       ILE  90   9.219  18.802  12.459
  710    HB   ILE  90           HB       ILE  90   6.193  18.793  12.591
  711   1HG1  ILE  90          HG12      ILE  90   7.993  16.927  14.189
  712   2HG1  ILE  90          HG13      ILE  90   6.892  18.151  14.835
  713   1HG2  ILE  90          HG21      ILE  90   6.452  16.736  11.346
  714   2HG2  ILE  90          HG22      ILE  90   7.584  17.895  10.627
  715   3HG2  ILE  90          HG23      ILE  90   8.191  16.644  11.727
  716   1HD1  ILE  90          HD11      ILE  90   6.089  15.649  13.367
  717   2HD1  ILE  90          HD12      ILE  90   5.769  16.164  15.040
  718   3HD1  ILE  90          HD13      ILE  90   4.980  17.008  13.705
  719    H    THR  91           H        THR  91   9.992  20.361  11.148
  720    HA   THR  91           HA       THR  91   8.233  22.516  10.155
  721    HB   THR  91           HB       THR  91  10.641  23.568   9.868
  722    HG1  THR  91           HG1      THR  91  10.980  21.821  12.082
  723   1HG2  THR  91          HG21      THR  91   8.889  24.439  11.362
  724   2HG2  THR  91          HG22      THR  91   9.245  23.167  12.551
  725   3HG2  THR  91          HG23      THR  91  10.455  24.425  12.193
  726    H    GLN  92           H        GLN  92   9.672  19.671   8.988
  727    HA   GLN  92           HA       GLN  92  10.318  20.263   6.311
  728   1HB   GLN  92          HB2       GLN  92   9.374  17.900   5.975
  729   2HB   GLN  92          HB3       GLN  92  10.680  18.032   7.159
  730   1HG   GLN  92          HG2       GLN  92   9.222  17.763   8.996
  731   2HG   GLN  92          HG3       GLN  92   7.786  18.196   8.069
  732   1HE2  GLN  92          HE22      GLN  92   7.194  16.159   9.467
  733   2HE2  GLN  92          HE21      GLN  92   7.432  14.624   8.661
  734    HA   PRO  93           HA       PRO  93   6.232  21.154   4.476
  735   1HB   PRO  93          HB2       PRO  93   6.946  19.129   2.362
  736   2HB   PRO  93          HB3       PRO  93   6.374  20.804   2.152
  737   1HG   PRO  93          HG2       PRO  93   8.985  20.170   1.754
  738   2HG   PRO  93          HG3       PRO  93   8.522  21.697   2.571
  739   1HD   PRO  93          HD2       PRO  93   9.478  19.120   3.825
  740   2HD   PRO  93          HD3       PRO  93   9.916  20.809   4.220
  741    H    ILE  94           H        ILE  94   4.195  20.169   4.898
  742    HA   ILE  94           HA       ILE  94   4.019  17.226   5.189
  743    HB   ILE  94           HB       ILE  94   3.130  19.320   7.216
  744   1HG1  ILE  94          HG12      ILE  94   5.081  17.056   7.744
  745   2HG1  ILE  94          HG13      ILE  94   5.561  18.680   7.290
  746   1HG2  ILE  94          HG21      ILE  94   2.705  16.299   7.322
  747   2HG2  ILE  94          HG22      ILE  94   2.251  17.468   8.589
  748   3HG2  ILE  94          HG23      ILE  94   1.443  17.516   7.044
  749   1HD1  ILE  94          HD11      ILE  94   5.751  18.556   9.643
  750   2HD1  ILE  94          HD12      ILE  94   4.403  19.624   9.262
  751   3HD1  ILE  94          HD13      ILE  94   4.097  17.972   9.839
  752    H    PHE  95           H        PHE  95   1.929  16.551   4.463
  753    HA   PHE  95           HA       PHE  95  -0.058  18.711   4.182
  754   1HB   PHE  95          HB2       PHE  95  -0.675  18.346   2.040
  755   2HB   PHE  95          HB3       PHE  95   1.064  18.284   1.930
  756    HD1  PHE  95           HD1      PHE  95  -2.087  16.421   1.678
  757    HD2  PHE  95           HD2      PHE  95   2.203  16.120   1.356
  758    HE1  PHE  95           HE1      PHE  95  -2.327  14.325   0.392
  759    HE2  PHE  95           HE2      PHE  95   1.953  14.006   0.073
  760    HZ   PHE  95           HZ       PHE  95  -0.326  13.095  -0.402
  761    H    VAL  96           H        VAL  96  -2.210  17.967   4.055
  762    HA   VAL  96           HA       VAL  96  -2.760  15.364   5.350
  763    HB   VAL  96           HB       VAL  96  -4.013  18.017   6.182
  764   1HG1  VAL  96          HG11      VAL  96  -5.295  15.953   6.678
  765   2HG1  VAL  96          HG12      VAL  96  -3.921  15.333   7.606
  766   3HG1  VAL  96          HG13      VAL  96  -4.787  16.793   8.144
  767   1HG2  VAL  96          HG21      VAL  96  -1.571  16.703   7.405
  768   2HG2  VAL  96          HG22      VAL  96  -1.743  18.360   6.841
  769   3HG2  VAL  96          HG23      VAL  96  -2.602  17.852   8.298
  770    H    ASP  97           H        ASP  97  -4.714  14.525   4.540
  771    HA   ASP  97           HA       ASP  97  -6.503  16.285   2.992
  772   1HB   ASP  97          HB2       ASP  97  -4.826  15.266   1.418
  773   2HB   ASP  97          HB3       ASP  97  -5.411  13.678   1.908
  774    H    SER  98           H        SER  98  -8.625  15.411   2.802
  775    HA   SER  98           HA       SER  98  -9.505  13.811   4.971
  776   1HB   SER  98          HB2       SER  98 -11.009  14.469   2.418
  777   2HB   SER  98          HB3       SER  98 -11.669  14.212   4.047
  778    HG   SER  98           HG       SER  98 -11.541  16.430   3.483
  779    H    ASP  99           H        ASP  99  -8.169  12.872   1.888
  780    HA   ASP  99           HA       ASP  99  -9.167  10.078   2.232
  781   1HB   ASP  99          HB2       ASP  99 -10.495  11.272   0.543
  782   2HB   ASP  99          HB3       ASP  99  -9.030  11.759  -0.300
  783    H    HIS 100           H        HIS 100  -6.656  12.209   0.815
  784    HA   HIS 100           HA       HIS 100  -4.582  12.067   0.310
  785   1HB   HIS 100          HB2       HIS 100  -4.433   9.392   1.729
  786   2HB   HIS 100          HB3       HIS 100  -3.077  10.219   0.977
  787    HD1  HIS 100           HD1      HIS 100  -4.799  10.065   4.243
  788    HD2  HIS 100           HD2      HIS 100  -2.808  12.937   1.907
  789    HE1  HIS 100           HE1      HIS 100  -4.219  11.996   5.791
  790    H    ALA 101           H        ALA 101  -3.984  11.961  -1.712
  791    HA   ALA 101           HA       ALA 101  -5.313  10.272  -3.583
  792   1HB   ALA 101          HB1       ALA 101  -4.255  12.501  -4.047
  793   2HB   ALA 101          HB2       ALA 101  -2.658  11.715  -3.890
  794   3HB   ALA 101          HB3       ALA 101  -3.796  11.221  -5.178
  795    H    LEU 102           H        LEU 102  -2.708   9.602  -1.439
  796    HA   LEU 102           HA       LEU 102  -1.440   7.495  -3.035
  797   1HB   LEU 102          HB2       LEU 102  -1.139   8.396  -0.191
  798   2HB   LEU 102          HB3       LEU 102  -1.141   6.650  -0.401
  799    HG   LEU 102           HG       LEU 102   0.533   7.194  -2.413
  800   1HD1  LEU 102          HD11      LEU 102   2.090   8.982  -1.786
  801   2HD1  LEU 102          HD12      LEU 102   0.468   9.657  -2.031
  802   3HD1  LEU 102          HD13      LEU 102   1.085   9.414  -0.386
  803   1HD2  LEU 102          HD21      LEU 102   1.232   6.899   0.506
  804   2HD2  LEU 102          HD22      LEU 102   1.037   5.626  -0.710
  805   3HD2  LEU 102          HD23      LEU 102   2.403   6.742  -0.828
  806    H    THR 103           H        THR 103  -4.143   7.675  -0.665
  807    HA   THR 103           HA       THR 103  -4.535   4.911  -0.411
  808    HB   THR 103           HB       THR 103  -6.624   7.020  -0.462
  809    HG1  THR 103           HG1      THR 103  -5.910   7.885   1.311
  810   1HG2  THR 103          HG21      THR 103  -7.603   5.886   1.511
  811   2HG2  THR 103          HG22      THR 103  -7.476   4.771   0.143
  812   3HG2  THR 103          HG23      THR 103  -6.299   4.692   1.483
  813    H    ASP 104           H        ASP 104  -5.150   7.075  -3.138
  814    HA   ASP 104           HA       ASP 104  -7.252   5.338  -4.221
  815   1HB   ASP 104          HB2       ASP 104  -7.152   7.849  -4.673
  816   2HB   ASP 104          HB3       ASP 104  -5.630   7.576  -5.536
  817    H    ALA 105           H        ALA 105  -3.856   5.427  -4.101
  818    HA   ALA 105           HA       ALA 105  -3.598   3.681  -6.531
  819   1HB   ALA 105          HB1       ALA 105  -2.312   5.762  -6.640
  820   2HB   ALA 105          HB2       ALA 105  -1.539   5.392  -5.083
  821   3HB   ALA 105          HB3       ALA 105  -1.231   4.362  -6.501
  822    H    PHE 106           H        PHE 106  -3.190   3.855  -3.018
  823    HA   PHE 106           HA       PHE 106  -2.149   1.060  -2.991
  824   1HB   PHE 106          HB2       PHE 106  -0.839   3.516  -1.796
  825   2HB   PHE 106          HB3       PHE 106  -0.449   1.872  -1.293
  826    HD1  PHE 106           HD1      PHE 106   0.175   4.388  -3.803
  827    HD2  PHE 106           HD2      PHE 106   0.180   0.139  -3.088
  828    HE1  PHE 106           HE1      PHE 106   1.512   4.023  -5.881
  829    HE2  PHE 106           HE2      PHE 106   1.476  -0.214  -5.166
  830    HZ   PHE 106           HZ       PHE 106   2.138   1.736  -6.571
  831    H    GLU 107           H        GLU 107  -4.645   2.993  -1.936
  832    HA   GLU 107           HA       GLU 107  -6.055   2.907  -0.160
  833   1HB   GLU 107          HB2       GLU 107  -5.265   0.069  -0.716
  834   2HB   GLU 107          HB3       GLU 107  -6.598   0.485   0.392
  835   1HG   GLU 107          HG2       GLU 107  -7.699   1.749  -1.436
  836   2HG   GLU 107          HG3       GLU 107  -6.402   1.286  -2.540
  837    H    ASN 108           H        ASN 108  -3.619   3.798   0.656
  838    HA   ASN 108           HA       ASN 108  -2.301   2.956   2.844
  839   1HB   ASN 108          HB2       ASN 108  -1.788   5.062   1.804
  840   2HB   ASN 108          HB3       ASN 108  -3.400   5.679   2.120
  841   1HD2  ASN 108          HD22      ASN 108  -2.678   7.550   3.274
  842   2HD2  ASN 108          HD21      ASN 108  -2.021   7.400   4.889
  843    H    GLU 109           H        GLU 109  -2.658   2.434   4.880
  844    HA   GLU 109           HA       GLU 109  -4.620   3.769   6.506
  845   1HB   GLU 109          HB2       GLU 109  -5.817   1.750   5.332
  846   2HB   GLU 109          HB3       GLU 109  -4.866   0.740   6.418
  847   1HG   GLU 109          HG2       GLU 109  -5.888   1.976   8.367
  848   2HG   GLU 109          HG3       GLU 109  -6.776   2.986   7.233
  849    H    TYR 110           H        TYR 110  -1.625   3.606   6.367
  850    HA   TYR 110           HA       TYR 110  -0.923   1.864   8.624
  851   1HB   TYR 110          HB2       TYR 110   1.323   1.816   7.436
  852   2HB   TYR 110          HB3       TYR 110   0.030   0.819   6.795
  853    HD1  TYR 110           HD1      TYR 110  -0.494   0.863   4.491
  854    HD2  TYR 110           HD2      TYR 110   1.727   4.141   6.194
  855    HE1  TYR 110           HE1      TYR 110  -0.236   1.876   2.243
  856    HE2  TYR 110           HE2      TYR 110   1.881   5.224   4.010
  857    HH   TYR 110           HH       TYR 110   1.415   5.015   1.720
  858    H    VAL 111           H        VAL 111  -0.039   2.839  10.123
  859    HA   VAL 111           HA       VAL 111   1.784   5.055   9.856
  860    HB   VAL 111           HB       VAL 111   0.803   6.468  11.624
  861   1HG1  VAL 111          HG11      VAL 111  -0.767   7.660  10.362
  862   2HG1  VAL 111          HG12      VAL 111   0.334   6.945   9.188
  863   3HG1  VAL 111          HG13      VAL 111  -1.276   6.239   9.437
  864   1HG2  VAL 111          HG21      VAL 111  -0.585   5.043  12.920
  865   2HG2  VAL 111          HG22      VAL 111  -1.657   6.221  12.180
  866   3HG2  VAL 111          HG23      VAL 111  -1.559   4.577  11.513
  867    HA   PRO 112           HA       PRO 112   3.208   6.099  11.142
  868   1HB   PRO 112          HB2       PRO 112   5.682   5.925  12.305
  869   2HB   PRO 112          HB3       PRO 112   4.285   6.694  13.084
  870   1HG   PRO 112          HG2       PRO 112   5.409   3.937  13.536
  871   2HG   PRO 112          HG3       PRO 112   4.750   5.092  14.736
  872   1HD   PRO 112          HD2       PRO 112   3.325   2.942  13.719
  873   2HD   PRO 112          HD3       PRO 112   2.556   4.454  14.288
  874    H    ALA 113           H        ALA 113   4.407   5.948   9.142
  875    HA   ALA 113           HA       ALA 113   6.041   3.506   8.695
  876   1HB   ALA 113          HB1       ALA 113   4.953   3.087   6.528
  877   2HB   ALA 113          HB2       ALA 113   3.804   2.861   7.867
  878   3HB   ALA 113          HB3       ALA 113   3.762   4.350   6.885
  879    H    TYR 114           H        TYR 114   7.580   3.721   7.123
  880    HA   TYR 114           HA       TYR 114   8.067   6.502   6.147
  881   1HB   TYR 114          HB2       TYR 114  10.449   5.010   7.043
  882   2HB   TYR 114          HB3       TYR 114   9.969   6.666   7.329
  883    HD1  TYR 114           HD1      TYR 114  10.021   3.279   8.670
  884    HD2  TYR 114           HD2      TYR 114   8.516   7.260   9.299
  885    HE1  TYR 114           HE1      TYR 114   9.360   2.655  10.975
  886    HE2  TYR 114           HE2      TYR 114   7.840   6.657  11.594
  887    HH   TYR 114           HH       TYR 114   7.770   4.966  13.210
  888    H    TYR 115           H        TYR 115   8.935   6.642   4.126
  889    HA   TYR 115           HA       TYR 115   9.587   4.137   2.639
  890   1HB   TYR 115          HB2       TYR 115   7.711   6.425   1.903
  891   2HB   TYR 115          HB3       TYR 115   8.251   5.178   0.790
  892    HD1  TYR 115           HD1      TYR 115   7.161   3.056   0.684
  893    HD2  TYR 115           HD2      TYR 115   6.242   5.795   3.874
  894    HE1  TYR 115           HE1      TYR 115   5.264   1.624   1.359
  895    HE2  TYR 115           HE2      TYR 115   4.295   4.404   4.515
  896    HH   TYR 115           HH       TYR 115   3.057   2.459   4.044
  897    H    VAL 116           H        VAL 116  11.470   4.383   1.505
  898    HA   VAL 116           HA       VAL 116  12.700   7.116   1.468
  899    HB   VAL 116           HB       VAL 116  14.115   4.413   1.451
  900   1HG1  VAL 116          HG11      VAL 116  15.139   7.264   1.847
  901   2HG1  VAL 116          HG12      VAL 116  16.122   5.790   2.016
  902   3HG1  VAL 116          HG13      VAL 116  15.442   6.226   0.443
  903   1HG2  VAL 116          HG21      VAL 116  13.049   4.660   3.638
  904   2HG2  VAL 116          HG22      VAL 116  14.788   4.921   3.791
  905   3HG2  VAL 116          HG23      VAL 116  13.686   6.316   3.790
  906    H    PHE 117           H        PHE 117  13.207   7.899  -0.564
  907    HA   PHE 117           HA       PHE 117  12.805   6.070  -2.883
  908   1HB   PHE 117          HB2       PHE 117  11.863   8.939  -2.627
  909   2HB   PHE 117          HB3       PHE 117  11.735   7.926  -4.049
  910    HD1  PHE 117           HD1      PHE 117  10.494   8.367  -0.544
  911    HD2  PHE 117           HD2      PHE 117   9.837   6.493  -4.368
  912    HE1  PHE 117           HE1      PHE 117   8.200   7.757   0.132
  913    HE2  PHE 117           HE2      PHE 117   7.527   5.921  -3.700
  914    HZ   PHE 117           HZ       PHE 117   6.697   6.545  -1.436
  915    H    ASP 118           H        ASP 118  14.104   6.435  -4.545
  916    HA   ASP 118           HA       ASP 118  16.644   7.806  -4.300
  917   1HB   ASP 118          HB2       ASP 118  15.809   5.781  -5.721
  918   2HB   ASP 118          HB3       ASP 118  15.151   7.000  -6.794
  919    H    LYS 119           H        LYS 119  17.276   9.552  -5.924
  920    HA   LYS 119           HA       LYS 119  15.528  11.834  -5.853
  921   1HB   LYS 119          HB2       LYS 119  17.109  13.007  -7.140
  922   2HB   LYS 119          HB3       LYS 119  17.970  12.068  -5.930
  923   1HG   LYS 119          HG2       LYS 119  19.169  10.964  -7.420
  924   2HG   LYS 119          HG3       LYS 119  17.794  10.585  -8.443
  925   1HD   LYS 119          HD2       LYS 119  18.989  13.402  -8.467
  926   2HD   LYS 119          HD3       LYS 119  19.738  12.075  -9.373
  927   1HE   LYS 119          HE2       LYS 119  17.585  11.641 -10.533
  928   2HE   LYS 119          HE3       LYS 119  16.849  13.004  -9.678
  929   1HZ   LYS 119          HZ1       LYS 119  19.200  13.266 -11.476
  930   2HZ   LYS 119          HZ2       LYS 119  17.668  13.520 -11.954
  931   3HZ   LYS 119          HZ3       LYS 119  18.321  14.498 -10.827
  932    H    THR 120           H        THR 120  15.320   9.106  -7.889
  933    HA   THR 120           HA       THR 120  14.159  10.514 -10.196
  934    HB   THR 120           HB       THR 120  13.618   8.139 -10.802
  935    HG1  THR 120           HG1      THR 120  14.624   6.514  -9.576
  936   1HG2  THR 120          HG21      THR 120  16.562   8.550 -10.099
  937   2HG2  THR 120          HG22      THR 120  15.909   7.397 -11.286
  938   3HG2  THR 120          HG23      THR 120  15.771   9.146 -11.583
  939    H    GLY 121           H        GLY 121  13.236   9.060  -7.148
  940   1HA   GLY 121          HA2       GLY 121  11.075   9.221  -6.183
  941   2HA   GLY 121          HA3       GLY 121  10.333   9.212  -7.793
  942    H    GLN 122           H        GLN 122  12.861   6.849  -7.756
  943    HA   GLN 122           HA       GLN 122  10.819   4.780  -7.678
  944   1HB   GLN 122          HB2       GLN 122  12.371   3.295  -8.493
  945   2HB   GLN 122          HB3       GLN 122  12.809   4.820  -9.262
  946   1HG   GLN 122          HG2       GLN 122  14.629   5.085  -7.599
  947   2HG   GLN 122          HG3       GLN 122  14.243   3.502  -6.929
  948   1HE2  GLN 122          HE22      GLN 122  16.712   4.722  -8.489
  949   2HE2  GLN 122          HE21      GLN 122  16.986   3.510  -9.715
  950    H    LEU 123           H        LEU 123  10.115   3.843  -5.941
  951    HA   LEU 123           HA       LEU 123  10.834   4.432  -3.306
  952   1HB   LEU 123          HB2       LEU 123   8.642   3.758  -3.968
  953   2HB   LEU 123          HB3       LEU 123   9.205   2.162  -4.454
  954    HG   LEU 123           HG       LEU 123   9.593   1.472  -2.226
  955   1HD1  LEU 123          HD11      LEU 123   9.249   2.959  -0.238
  956   2HD1  LEU 123          HD12      LEU 123  10.649   3.391  -1.193
  957   3HD1  LEU 123          HD13      LEU 123   9.174   4.358  -1.338
  958   1HD2  LEU 123          HD21      LEU 123   7.400   1.645  -1.231
  959   2HD2  LEU 123          HD22      LEU 123   7.057   3.159  -2.108
  960   3HD2  LEU 123          HD23      LEU 123   7.199   1.626  -2.988
  961    H    ARG 124           H        ARG 124  12.967   4.005  -2.615
  962    HA   ARG 124           HA       ARG 124  14.334   1.565  -3.440
  963   1HB   ARG 124          HB2       ARG 124  15.059   3.767  -1.441
  964   2HB   ARG 124          HB3       ARG 124  16.107   2.404  -1.825
  965   1HG   ARG 124          HG2       ARG 124  15.243   4.627  -3.693
  966   2HG   ARG 124          HG3       ARG 124  16.853   4.320  -3.037
  967   1HD   ARG 124          HD2       ARG 124  16.565   1.981  -4.290
  968   2HD   ARG 124          HD3       ARG 124  15.345   2.860  -5.205
  969    HE   ARG 124           HE       ARG 124  17.021   4.308  -6.101
  970   1HH1  ARG 124          HH21      ARG 124  18.473   1.761  -4.076
  971   2HH1  ARG 124          HH22      ARG 124  20.085   2.083  -4.641
  972   1HH2  ARG 124          HH11      ARG 124  19.045   4.732  -6.783
  973   2HH2  ARG 124          HH12      ARG 124  20.429   3.815  -6.220
  974    H    HIS 125           H        HIS 125  12.729   2.637  -0.368
  975    HA   HIS 125           HA       HIS 125  12.743  -0.157   0.562
  976   1HB   HIS 125          HB2       HIS 125  15.017   0.755   1.132
  977   2HB   HIS 125          HB3       HIS 125  14.245   2.060   2.025
  978    HD1  HIS 125           HD1      HIS 125  14.827  -1.755   2.258
  979    HD2  HIS 125           HD2      HIS 125  13.425   1.524   4.493
  980    HE1  HIS 125           HE1      HIS 125  14.635  -2.558   4.667
  981    H    PHE 126           H        PHE 126  11.486  -0.378   2.583
  982    HA   PHE 126           HA       PHE 126  10.000   1.947   3.540
  983   1HB   PHE 126          HB2       PHE 126   8.243   1.403   2.228
  984   2HB   PHE 126          HB3       PHE 126   8.788  -0.238   1.931
  985    HD1  PHE 126           HD1      PHE 126   7.962  -2.104   3.208
  986    HD2  PHE 126           HD2      PHE 126   6.938   1.932   4.343
  987    HE1  PHE 126           HE1      PHE 126   6.228  -2.976   4.754
  988    HE2  PHE 126           HE2      PHE 126   5.154   1.042   5.834
  989    HZ   PHE 126           HZ       PHE 126   4.820  -1.389   6.072
  990    H    GLN 127           H        GLN 127   9.346   1.697   5.655
  991    HA   GLN 127           HA       GLN 127   9.538  -0.851   7.054
  992   1HB   GLN 127          HB2       GLN 127  11.828   0.016   7.315
  993   2HB   GLN 127          HB3       GLN 127  11.223   1.588   7.821
  994   1HG   GLN 127          HG2       GLN 127  10.316   0.585   9.899
  995   2HG   GLN 127          HG3       GLN 127  10.803  -1.020   9.342
  996   1HE2  GLN 127          HE22      GLN 127  12.550  -1.675  10.562
  997   2HE2  GLN 127          HE21      GLN 127  13.873  -0.647  11.045
  998    H    ALA 128           H        ALA 128   8.314  -0.603   9.169
  999    HA   ALA 128           HA       ALA 128   6.974   1.962   9.581
 1000   1HB   ALA 128          HB1       ALA 128   4.742   0.859   9.814
 1001   2HB   ALA 128          HB2       ALA 128   5.356   0.744   8.158
 1002   3HB   ALA 128          HB3       ALA 128   5.442  -0.666   9.237
 1003    H    GLY 129           H        GLY 129   6.121   2.135  11.712
 1004   1HA   GLY 129          HA2       GLY 129   6.169   1.877  13.994
 1005   2HA   GLY 129          HA3       GLY 129   5.965   0.154  13.663
 1006    H    GLY 130           H        GLY 130   8.741   2.422  13.142
 1007   1HA   GLY 130          HA2       GLY 130  10.544   0.444  14.488
 1008   2HA   GLY 130          HA3       GLY 130  11.027   1.580  13.222
 1009    H    SER 131           H        SER 131  11.450   1.085  16.365
 1010    HA   SER 131           HA       SER 131  10.559   3.150  17.877
 1011   1HB   SER 131          HB2       SER 131  13.319   1.894  18.091
 1012   2HB   SER 131          HB3       SER 131  12.343   2.587  19.402
 1013    HG   SER 131           HG       SER 131  12.192   0.295  19.304
 1014    H    GLY 132           H        GLY 132  10.594   5.263  17.436
 1015   1HA   GLY 132          HA2       GLY 132  11.272   7.357  16.896
 1016   2HA   GLY 132          HA3       GLY 132  12.825   6.910  17.609
 1017    H    MET 133           H        MET 133  11.592   5.283  14.671
 1018    HA   MET 133           HA       MET 133  12.555   4.972  12.662
 1019   1HB   MET 133          HB2       MET 133  13.345   7.876  12.609
 1020   2HB   MET 133          HB3       MET 133  12.946   6.817  11.261
 1021   1HG   MET 133          HG2       MET 133  10.580   6.731  12.197
 1022   2HG   MET 133          HG3       MET 133  11.073   8.038  13.279
 1023   1HE   MET 133          HE1       MET 133  12.374  10.297  12.167
 1024   2HE   MET 133          HE2       MET 133  13.214   9.384  10.890
 1025   3HE   MET 133          HE3       MET 133  12.179  10.752  10.456
 1026    H    LYS 134           H        LYS 134  14.446   4.734  15.092
 1027    HA   LYS 134           HA       LYS 134  16.880   5.969  14.388
 1028   1HB   LYS 134          HB2       LYS 134  16.172   5.147  16.667
 1029   2HB   LYS 134          HB3       LYS 134  16.437   3.501  16.113
 1030   1HG   LYS 134          HG2       LYS 134  18.291   4.015  17.404
 1031   2HG   LYS 134          HG3       LYS 134  18.895   4.107  15.767
 1032   1HD   LYS 134          HD2       LYS 134  18.123   6.494  17.520
 1033   2HD   LYS 134          HD3       LYS 134  19.751   5.850  17.318
 1034   1HE   LYS 134          HE2       LYS 134  19.452   6.309  14.789
 1035   2HE   LYS 134          HE3       LYS 134  18.050   7.282  15.247
 1036   1HZ   LYS 134          HZ1       LYS 134  19.506   8.689  16.548
 1037   2HZ   LYS 134          HZ2       LYS 134  20.803   7.735  16.238
 1038   3HZ   LYS 134          HZ3       LYS 134  20.110   8.556  15.017
 1039    H    MET 135           H        MET 135  15.595   2.873  13.310
 1040    HA   MET 135           HA       MET 135  18.103   1.974  12.120
 1041   1HB   MET 135          HB2       MET 135  16.068   0.567  12.877
 1042   2HB   MET 135          HB3       MET 135  15.295   1.067  11.382
 1043   1HG   MET 135          HG2       MET 135  17.875  -0.510  11.723
 1044   2HG   MET 135          HG3       MET 135  16.320  -1.154  11.238
 1045   1HE   MET 135          HE1       MET 135  16.047   0.516   7.565
 1046   2HE   MET 135          HE2       MET 135  15.141  -0.409   8.780
 1047   3HE   MET 135          HE3       MET 135  15.536   1.304   9.067
 1048    H    LEU 136           H        LEU 136  15.168   3.729  11.003
 1049    HA   LEU 136           HA       LEU 136  15.613   3.696   8.275
 1050   1HB   LEU 136          HB2       LEU 136  13.596   4.542   9.565
 1051   2HB   LEU 136          HB3       LEU 136  14.521   6.014   9.902
 1052    HG   LEU 136           HG       LEU 136  14.652   6.489   7.448
 1053   1HD1  LEU 136          HD11      LEU 136  13.041   5.206   5.987
 1054   2HD1  LEU 136          HD12      LEU 136  14.491   4.302   6.454
 1055   3HD1  LEU 136          HD13      LEU 136  12.934   3.980   7.264
 1056   1HD2  LEU 136          HD21      LEU 136  12.263   7.097   7.284
 1057   2HD2  LEU 136          HD22      LEU 136  11.948   6.136   8.750
 1058   3HD2  LEU 136          HD23      LEU 136  13.012   7.551   8.812
 1059    H    GLU 137           H        GLU 137  17.061   5.853  10.674
 1060    HA   GLU 137           HA       GLU 137  18.395   7.755   9.072
 1061   1HB   GLU 137          HB2       GLU 137  18.201   7.718  11.544
 1062   2HB   GLU 137          HB3       GLU 137  19.204   6.271  11.601
 1063   1HG   GLU 137          HG2       GLU 137  21.107   7.657  10.622
 1064   2HG   GLU 137          HG3       GLU 137  20.065   9.083  10.834
 1065    H    LYS 138           H        LYS 138  19.169   4.327   9.691
 1066    HA   LYS 138           HA       LYS 138  21.837   4.435   8.546
 1067   1HB   LYS 138          HB2       LYS 138  20.142   1.943   8.913
 1068   2HB   LYS 138          HB3       LYS 138  21.892   2.077   8.844
 1069   1HG   LYS 138          HG2       LYS 138  20.086   3.026  11.106
 1070   2HG   LYS 138          HG3       LYS 138  21.146   1.620  11.110
 1071   1HD   LYS 138          HD2       LYS 138  23.120   3.099  10.868
 1072   2HD   LYS 138          HD3       LYS 138  22.082   4.532  10.907
 1073   1HE   LYS 138          HE2       LYS 138  22.135   2.464  13.134
 1074   2HE   LYS 138          HE3       LYS 138  23.249   3.834  13.089
 1075   1HZ   LYS 138          HZ1       LYS 138  21.303   4.287  14.435
 1076   2HZ   LYS 138          HZ2       LYS 138  21.393   5.355  13.206
 1077   3HZ   LYS 138          HZ3       LYS 138  20.289   4.131  13.160
 1078    H    ARG 139           H        ARG 139  18.546   3.420   7.497
 1079    HA   ARG 139           HA       ARG 139  19.430   2.579   4.944
 1080   1HB   ARG 139          HB2       ARG 139  17.295   1.867   5.941
 1081   2HB   ARG 139          HB3       ARG 139  16.682   3.516   5.842
 1082   1HG   ARG 139          HG2       ARG 139  15.798   2.211   3.993
 1083   2HG   ARG 139          HG3       ARG 139  16.832   3.475   3.377
 1084   1HD   ARG 139          HD2       ARG 139  17.218   1.436   2.122
 1085   2HD   ARG 139          HD3       ARG 139  18.679   1.827   3.032
 1086    HE   ARG 139           HE       ARG 139  16.946   0.061   4.523
 1087   1HH1  ARG 139          HH12      ARG 139  19.142  -0.012   1.734
 1088   2HH1  ARG 139          HH11      ARG 139  19.607  -1.655   1.968
 1089   1HH2  ARG 139          HH21      ARG 139  17.614  -2.115   4.868
 1090   2HH2  ARG 139          HH22      ARG 139  18.692  -2.880   3.768
 1091    H    VAL 140           H        VAL 140  18.039   5.762   5.953
 1092    HA   VAL 140           HA       VAL 140  18.199   6.880   3.361
 1093    HB   VAL 140           HB       VAL 140  18.037   7.915   6.181
 1094   1HG1  VAL 140          HG11      VAL 140  19.522   9.586   5.414
 1095   2HG1  VAL 140          HG12      VAL 140  18.770   9.663   3.817
 1096   3HG1  VAL 140          HG13      VAL 140  17.914  10.284   5.253
 1097   1HG2  VAL 140          HG21      VAL 140  16.055   7.103   4.936
 1098   2HG2  VAL 140          HG22      VAL 140  15.915   8.833   5.233
 1099   3HG2  VAL 140          HG23      VAL 140  16.386   8.267   3.633
 1100    H    ASN 141           H        ASN 141  20.765   6.726   5.953
 1101    HA   ASN 141           HA       ASN 141  22.440   8.303   4.218
 1102   1HB   ASN 141          HB2       ASN 141  24.045   8.403   5.753
 1103   2HB   ASN 141          HB3       ASN 141  22.626   8.175   6.765
 1104   1HD2  ASN 141          HD22      ASN 141  22.541   6.454   8.078
 1105   2HD2  ASN 141          HD21      ASN 141  23.865   5.299   8.278
 1106    H    ARG 142           H        ARG 142  21.836   4.807   4.478
 1107    HA   ARG 142           HA       ARG 142  24.057   4.092   2.782
 1108   1HB   ARG 142          HB2       ARG 142  23.083   2.318   3.972
 1109   2HB   ARG 142          HB3       ARG 142  21.441   2.792   3.556
 1110   1HG   ARG 142          HG2       ARG 142  22.088   0.765   2.394
 1111   2HG   ARG 142          HG3       ARG 142  21.687   2.068   1.288
 1112   1HD   ARG 142          HD2       ARG 142  24.218   2.468   0.981
 1113   2HD   ARG 142          HD3       ARG 142  24.477   1.031   1.965
 1114    HE   ARG 142           HE       ARG 142  23.127   1.209  -0.709
 1115   1HH1  ARG 142          HH22      ARG 142  24.712  -0.925   1.677
 1116   2HH1  ARG 142          HH21      ARG 142  24.693  -2.286   0.616
 1117   1HH2  ARG 142          HH11      ARG 142  23.078  -0.443  -1.996
 1118   2HH2  ARG 142          HH12      ARG 142  23.733  -2.024  -1.596
 1119    H    VAL 143           H        VAL 143  20.597   5.022   2.047
 1120    HA   VAL 143           HA       VAL 143  20.908   4.698  -0.758
 1121    HB   VAL 143           HB       VAL 143  19.039   6.453   0.855
 1122   1HG1  VAL 143          HG11      VAL 143  18.971   5.895  -2.148
 1123   2HG1  VAL 143          HG12      VAL 143  17.662   6.650  -1.213
 1124   3HG1  VAL 143          HG13      VAL 143  19.212   7.477  -1.380
 1125   1HG2  VAL 143          HG21      VAL 143  18.660   3.826  -0.668
 1126   2HG2  VAL 143          HG22      VAL 143  18.739   3.989   1.093
 1127   3HG2  VAL 143          HG23      VAL 143  17.391   4.701   0.205
 1128    H    LEU 144           H        LEU 144  21.624   7.538   1.337
 1129    HA   LEU 144           HA       LEU 144  22.521   9.254  -0.757
 1130   1HB   LEU 144          HB2       LEU 144  23.496   9.050   2.127
 1131   2HB   LEU 144          HB3       LEU 144  23.919  10.349   1.022
 1132    HG   LEU 144           HG       LEU 144  21.080   9.701   1.877
 1133   1HD1  LEU 144          HD11      LEU 144  22.422  10.478   3.790
 1134   2HD1  LEU 144          HD12      LEU 144  22.952  11.888   2.859
 1135   3HD1  LEU 144          HD13      LEU 144  21.236  11.696   3.303
 1136   1HD2  LEU 144          HD21      LEU 144  22.204  12.107   0.395
 1137   2HD2  LEU 144          HD22      LEU 144  21.145  10.857  -0.281
 1138   3HD2  LEU 144          HD23      LEU 144  20.533  11.919   0.979
 1139    H    ALA 145           H        ALA 145  24.294   6.869   1.252
 1140    HA   ALA 145           HA       ALA 145  26.810   7.180   0.026
 1141   1HB   ALA 145          HB1       ALA 145  25.730   4.704   1.404
 1142   2HB   ALA 145          HB2       ALA 145  27.427   5.131   1.151
 1143   3HB   ALA 145          HB3       ALA 145  26.435   6.115   2.236
 1144    H    GLU 146           H        GLU 146  24.041   5.968  -1.586
 1145    HA   GLU 146           HA       GLU 146  25.926   4.844  -3.572
 1146   1HB   GLU 146          HB2       GLU 146  24.495   3.122  -4.219
 1147   2HB   GLU 146          HB3       GLU 146  24.783   3.000  -2.485
 1148   1HG   GLU 146          HG2       GLU 146  22.560   3.773  -1.971
 1149   2HG   GLU 146          HG3       GLU 146  22.246   4.212  -3.655
 1150    H    THR 147           H        THR 147  24.277   7.458  -2.926
 1151    HA   THR 147           HA       THR 147  23.502   8.003  -5.713
 1152    HB   THR 147           HB       THR 147  21.697   8.870  -3.447
 1153    HG1  THR 147           HG1      THR 147  21.597   6.722  -3.256
 1154   1HG2  THR 147          HG21      THR 147  21.544   9.895  -5.716
 1155   2HG2  THR 147          HG22      THR 147  21.288   8.283  -6.408
 1156   3HG2  THR 147          HG23      THR 147  20.074   8.981  -5.301
 1157    H    GLU 148           H        GLU 148  25.830   8.660  -4.638
 1158    HA   GLU 148           HA       GLU 148  25.847  11.581  -4.614
 1159   1HB   GLU 148          HB2       GLU 148  25.782  11.033  -2.212
 1160   2HB   GLU 148          HB3       GLU 148  27.112   9.878  -2.408
 1161   1HG   GLU 148          HG2       GLU 148  28.624  11.697  -3.074
 1162   2HG   GLU 148          HG3       GLU 148  27.297  12.860  -2.989
  Start of MODEL    8
    1   1H    MET   1           H1       MET   1   2.037  -2.148  -1.312
    2   2H    MET   1           H2       MET   1   3.015  -1.639  -0.111
    3   3H    MET   1           H3       MET   1   1.785  -0.680  -0.630
    4    HA   MET   1           HA       MET   1   2.836  -0.449  -2.806
    5   1HB   MET   1          HB2       MET   1   4.579   0.327  -0.419
    6   2HB   MET   1          HB3       MET   1   4.957   0.758  -2.080
    7   1HG   MET   1          HG2       MET   1   2.622   1.817  -2.215
    8   2HG   MET   1          HG3       MET   1   2.582   1.669  -0.453
    9   1HE   MET   1          HE1       MET   1   4.159   3.549  -3.577
   10   2HE   MET   1          HE2       MET   1   2.707   4.280  -2.814
   11   3HE   MET   1          HE3       MET   1   4.265   5.114  -2.749
   12    H    LYS   2           H        LYS   2   4.345  -1.115  -4.290
   13    HA   LYS   2           HA       LYS   2   6.101  -3.414  -3.536
   14   1HB   LYS   2          HB2       LYS   2   5.323  -2.294  -6.274
   15   2HB   LYS   2          HB3       LYS   2   6.443  -3.630  -5.987
   16   1HG   LYS   2          HG2       LYS   2   4.587  -4.889  -4.850
   17   2HG   LYS   2          HG3       LYS   2   3.468  -3.599  -5.310
   18   1HD   LYS   2          HD2       LYS   2   5.082  -5.322  -7.243
   19   2HD   LYS   2          HD3       LYS   2   3.378  -5.554  -6.829
   20   1HE   LYS   2          HE2       LYS   2   2.853  -3.285  -7.727
   21   2HE   LYS   2          HE3       LYS   2   4.549  -3.086  -8.191
   22   1HZ   LYS   2          HZ1       LYS   2   4.295  -4.984  -9.682
   23   2HZ   LYS   2          HZ2       LYS   2   2.727  -5.164  -9.255
   24   3HZ   LYS   2          HZ3       LYS   2   3.209  -3.828 -10.049
   25    H    LEU   3           H        LEU   3   8.353  -3.167  -4.031
   26    HA   LEU   3           HA       LEU   3   9.390  -0.425  -3.903
   27   1HB   LEU   3          HB2       LEU   3  10.867  -3.047  -4.331
   28   2HB   LEU   3          HB3       LEU   3  11.589  -1.473  -3.989
   29    HG   LEU   3           HG       LEU   3   9.852  -3.147  -2.130
   30   1HD1  LEU   3          HD11      LEU   3  12.720  -2.155  -1.894
   31   2HD1  LEU   3          HD12      LEU   3  11.847  -3.145  -0.702
   32   3HD1  LEU   3          HD13      LEU   3  12.214  -3.807  -2.304
   33   1HD2  LEU   3          HD21      LEU   3  10.195  -1.344  -0.429
   34   2HD2  LEU   3          HD22      LEU   3  10.846  -0.296  -1.714
   35   3HD2  LEU   3          HD23      LEU   3   9.153  -0.855  -1.767
   36    H    ARG   4           H        ARG   4  10.925   0.367  -5.446
   37    HA   ARG   4           HA       ARG   4  11.387   1.232  -7.410
   38   1HB   ARG   4          HB2       ARG   4  10.556  -1.365  -8.742
   39   2HB   ARG   4          HB3       ARG   4  11.663  -0.153  -9.366
   40   1HG   ARG   4          HG2       ARG   4  12.177  -1.851  -6.871
   41   2HG   ARG   4          HG3       ARG   4  12.770  -2.214  -8.494
   42   1HD   ARG   4          HD2       ARG   4  14.019  -0.091  -8.542
   43   2HD   ARG   4          HD3       ARG   4  13.479   0.280  -6.891
   44    HE   ARG   4           HE       ARG   4  14.581  -2.158  -6.545
   45   1HH1  ARG   4          HH21      ARG   4  15.886   0.756  -8.121
   46   2HH1  ARG   4          HH22      ARG   4  17.537   0.266  -7.944
   47   1HH2  ARG   4          HH11      ARG   4  16.773  -2.759  -6.249
   48   2HH2  ARG   4          HH12      ARG   4  18.045  -1.743  -6.807
   49    H    GLN   5           H        GLN   5   8.372   1.033  -6.376
   50    HA   GLN   5           HA       GLN   5   6.876   1.712  -8.789
   51   1HB   GLN   5          HB2       GLN   5   6.441   2.242  -5.808
   52   2HB   GLN   5          HB3       GLN   5   5.386   2.899  -7.044
   53   1HG   GLN   5          HG2       GLN   5   4.911   0.585  -7.887
   54   2HG   GLN   5          HG3       GLN   5   5.933  -0.068  -6.591
   55   1HE2  GLN   5          HE22      GLN   5   5.406   1.167  -4.397
   56   2HE2  GLN   5          HE21      GLN   5   3.706   1.526  -4.063
   57    HA   PRO   6           HA       PRO   6   8.536   5.932  -8.728
   58   1HB   PRO   6          HB2       PRO   6   6.931   7.175 -10.499
   59   2HB   PRO   6          HB3       PRO   6   8.128   5.935 -10.998
   60   1HG   PRO   6          HG2       PRO   6   5.145   5.571 -10.547
   61   2HG   PRO   6          HG3       PRO   6   6.130   5.001 -11.931
   62   1HD   PRO   6          HD2       PRO   6   5.487   3.435  -9.710
   63   2HD   PRO   6          HD3       PRO   6   6.961   3.188 -10.700
   64    H    MET   7           H        MET   7   7.957   7.811  -7.584
   65    HA   MET   7           HA       MET   7   6.010   8.153  -5.727
   66   1HB   MET   7          HB2       MET   7   7.175  10.238  -7.591
   67   2HB   MET   7          HB3       MET   7   6.045  10.637  -6.275
   68   1HG   MET   7          HG2       MET   7   7.495   9.479  -4.658
   69   2HG   MET   7          HG3       MET   7   8.645   9.123  -5.950
   70   1HE   MET   7          HE1       MET   7  10.421   9.852  -4.689
   71   2HE   MET   7          HE2       MET   7  10.633  11.410  -3.840
   72   3HE   MET   7          HE3       MET   7   9.374  10.241  -3.314
   73    HA   PRO   8           HA       PRO   8   2.574   7.732  -8.576
   74   1HB   PRO   8          HB2       PRO   8   0.489   7.407  -6.868
   75   2HB   PRO   8          HB3       PRO   8   1.802   6.203  -7.029
   76   1HG   PRO   8          HG2       PRO   8   1.490   8.333  -4.884
   77   2HG   PRO   8          HG3       PRO   8   1.937   6.623  -4.672
   78   1HD   PRO   8          HD2       PRO   8   3.824   8.595  -4.789
   79   2HD   PRO   8          HD3       PRO   8   4.112   6.927  -5.373
   80    H    GLU   9           H        GLU   9   1.228   9.622  -5.849
   81    HA   GLU   9           HA       GLU   9   0.678  12.028  -7.353
   82   1HB   GLU   9          HB2       GLU   9  -1.721  11.681  -7.235
   83   2HB   GLU   9          HB3       GLU   9  -0.946  10.336  -8.086
   84   1HG   GLU   9          HG2       GLU   9  -1.161   8.977  -5.932
   85   2HG   GLU   9          HG3       GLU   9  -2.233  10.251  -5.357
   86    H    LEU  10           H        LEU  10   0.793  13.633  -5.793
   87    HA   LEU  10           HA       LEU  10   0.649  12.917  -2.907
   88   1HB   LEU  10          HB2       LEU  10   2.939  14.419  -4.242
   89   2HB   LEU  10          HB3       LEU  10   2.771  14.096  -2.524
   90    HG   LEU  10           HG       LEU  10   3.252  11.996  -4.690
   91   1HD1  LEU  10          HD11      LEU  10   5.545  11.912  -3.822
   92   2HD1  LEU  10          HD12      LEU  10   5.157  13.539  -4.394
   93   3HD1  LEU  10          HD13      LEU  10   5.171  13.199  -2.654
   94   1HD2  LEU  10          HD21      LEU  10   2.163  10.938  -2.770
   95   2HD2  LEU  10          HD22      LEU  10   3.859  10.488  -2.809
   96   3HD2  LEU  10          HD23      LEU  10   3.303  11.719  -1.651
   97    H    THR  11           H        THR  11  -1.353  14.167  -2.741
   98    HA   THR  11           HA       THR  11  -1.107  17.027  -2.948
   99    HB   THR  11           HB       THR  11  -1.242  16.447  -5.346
  100    HG1  THR  11           HG1      THR  11  -2.760  17.917  -5.812
  101   1HG2  THR  11          HG21      THR  11  -3.986  15.257  -4.741
  102   2HG2  THR  11          HG22      THR  11  -3.279  15.526  -6.348
  103   3HG2  THR  11          HG23      THR  11  -2.548  14.347  -5.253
  104    H    GLY  12           H        GLY  12  -3.079  18.102  -2.244
  105   1HA   GLY  12          HA2       GLY  12  -5.381  16.801  -1.242
  106   2HA   GLY  12          HA3       GLY  12  -4.159  16.944   0.042
  107    H    GLU  13           H        GLU  13  -6.452  18.269   0.454
  108    HA   GLU  13           HA       GLU  13  -5.840  21.144  -0.129
  109   1HB   GLU  13          HB2       GLU  13  -7.544  20.010  -1.577
  110   2HB   GLU  13          HB3       GLU  13  -8.521  19.693  -0.143
  111   1HG   GLU  13          HG2       GLU  13  -8.818  22.111   0.220
  112   2HG   GLU  13          HG3       GLU  13  -7.690  22.474  -1.093
  113    H    LYS  14           H        LYS  14  -6.781  18.849   2.380
  114    HA   LYS  14           HA       LYS  14  -8.393  20.597   3.949
  115   1HB   LYS  14          HB2       LYS  14  -8.404  18.156   4.130
  116   2HB   LYS  14          HB3       LYS  14  -6.776  18.202   4.842
  117   1HG   LYS  14          HG2       LYS  14  -7.584  19.372   6.799
  118   2HG   LYS  14          HG3       LYS  14  -9.225  19.471   6.106
  119   1HD   LYS  14          HD2       LYS  14  -9.446  17.032   6.143
  120   2HD   LYS  14          HD3       LYS  14  -7.735  16.843   6.530
  121   1HE   LYS  14          HE2       LYS  14  -8.772  16.482   8.571
  122   2HE   LYS  14          HE3       LYS  14  -8.141  18.125   8.675
  123   1HZ   LYS  14          HZ1       LYS  14 -10.385  18.953   8.315
  124   2HZ   LYS  14          HZ2       LYS  14 -10.968  17.442   8.062
  125   3HZ   LYS  14          HZ3       LYS  14 -10.397  17.851   9.537
  126    H    ALA  15           H        ALA  15  -4.842  19.888   4.219
  127    HA   ALA  15           HA       ALA  15  -4.418  22.582   5.196
  128   1HB   ALA  15          HB1       ALA  15  -3.243  21.908   7.315
  129   2HB   ALA  15          HB2       ALA  15  -4.960  21.512   7.361
  130   3HB   ALA  15          HB3       ALA  15  -3.755  20.238   7.075
  131    H    TRP  16           H        TRP  16  -2.146  23.096   5.271
  132    HA   TRP  16           HA       TRP  16  -0.219  21.056   4.475
  133   1HB   TRP  16          HB2       TRP  16   0.856  22.531   2.846
  134   2HB   TRP  16          HB3       TRP  16  -0.719  21.978   2.312
  135    HD1  TRP  16           HD1      TRP  16  -2.573  23.790   1.873
  136    HE1  TRP  16           HE1      TRP  16  -2.550  26.330   1.628
  137    HE3  TRP  16           HE3      TRP  16   2.045  24.738   3.866
  138    HZ2  TRP  16           HZ2      TRP  16  -0.726  28.524   2.199
  139    HZ3  TRP  16           HZ3      TRP  16   2.912  27.058   3.988
  140    HH2  TRP  16           HH2      TRP  16   1.534  28.957   3.158
  141    H    LEU  17           H        LEU  17   1.570  21.339   5.672
  142    HA   LEU  17           HA       LEU  17   1.652  23.701   7.527
  143   1HB   LEU  17          HB2       LEU  17   2.152  20.779   8.185
  144   2HB   LEU  17          HB3       LEU  17   2.338  22.125   9.295
  145    HG   LEU  17           HG       LEU  17  -0.301  21.259   8.018
  146   1HD1  LEU  17          HD11      LEU  17  -0.860  20.417  10.268
  147   2HD1  LEU  17          HD12      LEU  17   0.539  19.578   9.577
  148   3HD1  LEU  17          HD13      LEU  17   0.784  20.814  10.828
  149   1HD2  LEU  17          HD21      LEU  17  -1.343  22.738   9.712
  150   2HD2  LEU  17          HD22      LEU  17   0.273  23.293  10.214
  151   3HD2  LEU  17          HD23      LEU  17  -0.341  23.654   8.589
  152    H    ASN  18           H        ASN  18   3.432  24.737   7.325
  153    HA   ASN  18           HA       ASN  18   5.541  25.416   7.054
  154   1HB   ASN  18          HB2       ASN  18   6.506  22.592   6.605
  155   2HB   ASN  18          HB3       ASN  18   7.469  24.017   6.914
  156   1HD2  ASN  18          HD22      ASN  18   6.302  21.300   8.354
  157   2HD2  ASN  18          HD21      ASN  18   6.342  21.808  10.037
  158    H    GLY  19           H        GLY  19   4.224  23.017   4.845
  159   1HA   GLY  19          HA2       GLY  19   4.039  24.522   2.550
  160   2HA   GLY  19          HA3       GLY  19   5.678  23.850   2.489
  161    H    GLU  20           H        GLU  20   4.068  23.015   0.518
  162    HA   GLU  20           HA       GLU  20   3.933  20.152   1.047
  163   1HB   GLU  20          HB2       GLU  20   1.833  19.954  -0.183
  164   2HB   GLU  20          HB3       GLU  20   1.683  20.924   1.277
  165   1HG   GLU  20          HG2       GLU  20   0.305  21.928  -0.354
  166   2HG   GLU  20          HG3       GLU  20   1.651  23.006  -0.045
  167    H    VAL  21           H        VAL  21   4.220  18.965  -1.094
  168    HA   VAL  21           HA       VAL  21   5.599  20.602  -3.140
  169    HB   VAL  21           HB       VAL  21   7.002  18.178  -1.994
  170   1HG1  VAL  21          HG11      VAL  21   7.824  19.183  -4.091
  171   2HG1  VAL  21          HG12      VAL  21   8.037  20.746  -3.275
  172   3HG1  VAL  21          HG13      VAL  21   9.016  19.335  -2.812
  173   1HG2  VAL  21          HG21      VAL  21   6.764  19.469   0.041
  174   2HG2  VAL  21          HG22      VAL  21   8.422  19.558  -0.534
  175   3HG2  VAL  21          HG23      VAL  21   7.340  20.945  -0.783
  176    H    THR  22           H        THR  22   5.280  19.734  -5.190
  177    HA   THR  22           HA       THR  22   3.846  17.195  -5.561
  178    HB   THR  22           HB       THR  22   4.502  17.770  -7.990
  179    HG1  THR  22           HG1      THR  22   5.202  19.790  -8.384
  180   1HG2  THR  22          HG21      THR  22   2.749  19.745  -6.482
  181   2HG2  THR  22          HG22      THR  22   2.733  19.419  -8.236
  182   3HG2  THR  22          HG23      THR  22   2.248  18.149  -7.100
  183    H    ARG  23           H        ARG  23   4.905  15.373  -6.730
  184    HA   ARG  23           HA       ARG  23   7.497  14.706  -5.885
  185   1HB   ARG  23          HB2       ARG  23   7.490  12.998  -7.594
  186   2HB   ARG  23          HB3       ARG  23   5.915  13.078  -6.817
  187   1HG   ARG  23          HG2       ARG  23   5.072  14.404  -8.805
  188   2HG   ARG  23          HG3       ARG  23   6.647  14.141  -9.579
  189   1HD   ARG  23          HD2       ARG  23   6.279  11.683  -9.462
  190   2HD   ARG  23          HD3       ARG  23   4.679  11.971  -8.744
  191    HE   ARG  23           HE       ARG  23   4.873  13.478 -11.131
  192   1HH1  ARG  23          HH21      ARG  23   4.581  10.051 -10.168
  193   2HH1  ARG  23          HH22      ARG  23   3.947   9.561 -11.697
  194   1HH2  ARG  23          HH11      ARG  23   3.977  12.806 -13.120
  195   2HH2  ARG  23          HH12      ARG  23   3.568  11.156 -13.387
  196    H    GLU  24           H        GLU  24   6.459  16.667  -8.718
  197    HA   GLU  24           HA       GLU  24   9.143  16.513  -9.821
  198   1HB   GLU  24          HB2       GLU  24   8.296  17.979 -11.585
  199   2HB   GLU  24          HB3       GLU  24   7.155  16.679 -11.254
  200   1HG   GLU  24          HG2       GLU  24   5.750  18.227  -9.925
  201   2HG   GLU  24          HG3       GLU  24   6.896  19.537 -10.210
  202    H    GLN  25           H        GLN  25   8.029  18.360  -7.225
  203    HA   GLN  25           HA       GLN  25  10.175  20.404  -7.634
  204   1HB   GLN  25          HB2       GLN  25   7.637  20.454  -5.958
  205   2HB   GLN  25          HB3       GLN  25   8.938  21.641  -5.804
  206   1HG   GLN  25          HG2       GLN  25   8.650  22.286  -8.174
  207   2HG   GLN  25          HG3       GLN  25   7.331  21.122  -8.338
  208   1HE2  GLN  25          HE22      GLN  25   5.383  21.440  -6.935
  209   2HE2  GLN  25          HE21      GLN  25   4.955  23.068  -6.437
  210    H    LEU  26           H        LEU  26   9.753  17.432  -6.350
  211    HA   LEU  26           HA       LEU  26  11.264  17.889  -3.818
  212   1HB   LEU  26          HB2       LEU  26   8.830  17.058  -3.857
  213   2HB   LEU  26          HB3       LEU  26   9.414  15.633  -4.697
  214    HG   LEU  26           HG       LEU  26  10.842  15.129  -2.682
  215   1HD1  LEU  26          HD11      LEU  26  10.940  17.387  -1.651
  216   2HD1  LEU  26          HD12      LEU  26   9.183  17.353  -1.407
  217   3HD1  LEU  26          HD13      LEU  26  10.213  16.210  -0.539
  218   1HD2  LEU  26          HD21      LEU  26   7.815  15.422  -2.297
  219   2HD2  LEU  26          HD22      LEU  26   8.634  14.074  -3.113
  220   3HD2  LEU  26          HD23      LEU  26   8.870  14.329  -1.380
  221    H    ILE  27           H        ILE  27  10.797  15.563  -6.544
  222    HA   ILE  27           HA       ILE  27  13.570  14.571  -6.204
  223    HB   ILE  27           HB       ILE  27  12.792  13.216  -8.306
  224   1HG1  ILE  27          HG12      ILE  27  10.054  13.611  -7.084
  225   2HG1  ILE  27          HG13      ILE  27  10.630  14.356  -8.599
  226   1HG2  ILE  27          HG21      ILE  27  12.194  11.392  -6.810
  227   2HG2  ILE  27          HG22      ILE  27  13.478  12.333  -6.098
  228   3HG2  ILE  27          HG23      ILE  27  11.813  12.543  -5.503
  229   1HD1  ILE  27          HD11      ILE  27  11.023  12.026  -9.484
  230   2HD1  ILE  27          HD12      ILE  27  10.159  11.435  -8.034
  231   3HD1  ILE  27          HD13      ILE  27   9.330  12.473  -9.195
  232    H    GLY  28           H        GLY  28  14.654  14.172  -8.392
  233   1HA   GLY  28          HA2       GLY  28  14.917  14.982 -10.661
  234   2HA   GLY  28          HA3       GLY  28  14.573  16.626 -10.092
  235    H    GLU  29           H        GLU  29  16.291  15.446  -7.583
  236    HA   GLU  29           HA       GLU  29  18.987  15.956  -8.693
  237   1HB   GLU  29          HB2       GLU  29  17.654  18.136  -8.337
  238   2HB   GLU  29          HB3       GLU  29  17.683  17.771  -6.614
  239   1HG   GLU  29          HG2       GLU  29  20.211  17.747  -6.714
  240   2HG   GLU  29          HG3       GLU  29  20.124  18.146  -8.431
  241    H    LYS  30           H        LYS  30  16.960  15.476  -5.720
  242    HA   LYS  30           HA       LYS  30  19.253  14.070  -4.437
  243   1HB   LYS  30          HB2       LYS  30  17.338  16.124  -3.221
  244   2HB   LYS  30          HB3       LYS  30  18.491  15.176  -2.294
  245   1HG   LYS  30          HG2       LYS  30  20.371  16.310  -3.409
  246   2HG   LYS  30          HG3       LYS  30  19.236  17.239  -4.419
  247   1HD   LYS  30          HD2       LYS  30  18.220  18.248  -2.406
  248   2HD   LYS  30          HD3       LYS  30  19.277  17.278  -1.377
  249   1HE   LYS  30          HE2       LYS  30  20.429  19.225  -1.324
  250   2HE   LYS  30          HE3       LYS  30  21.237  18.447  -2.685
  251   1HZ   LYS  30          HZ1       LYS  30  19.093  20.497  -2.863
  252   2HZ   LYS  30          HZ2       LYS  30  20.674  20.747  -3.151
  253   3HZ   LYS  30          HZ3       LYS  30  19.809  19.817  -4.171
  254    HA   PRO  31           HA       PRO  31  16.154  10.993  -3.548
  255   1HB   PRO  31          HB2       PRO  31  17.072   9.926  -1.178
  256   2HB   PRO  31          HB3       PRO  31  17.790   9.588  -2.779
  257   1HG   PRO  31          HG2       PRO  31  18.700  11.611  -0.716
  258   2HG   PRO  31          HG3       PRO  31  19.694  10.428  -1.632
  259   1HD   PRO  31          HD2       PRO  31  19.506  13.016  -2.416
  260   2HD   PRO  31          HD3       PRO  31  19.541  11.702  -3.616
  261    H    THR  32           H        THR  32  14.628  10.331  -1.768
  262    HA   THR  32           HA       THR  32  13.712  12.694  -0.202
  263    HB   THR  32           HB       THR  32  12.235  11.189  -2.384
  264    HG1  THR  32           HG1      THR  32  13.530  12.826  -3.179
  265   1HG2  THR  32          HG21      THR  32  11.151  13.348  -0.529
  266   2HG2  THR  32          HG22      THR  32  10.352  12.707  -1.988
  267   3HG2  THR  32          HG23      THR  32  10.611  11.652  -0.611
  268    H    LEU  33           H        LEU  33  12.551  12.195   1.591
  269    HA   LEU  33           HA       LEU  33  11.747   9.382   2.121
  270   1HB   LEU  33          HB2       LEU  33  13.548  10.447   3.544
  271   2HB   LEU  33          HB3       LEU  33  12.400  11.683   4.001
  272    HG   LEU  33           HG       LEU  33  12.533  10.211   5.781
  273   1HD1  LEU  33          HD11      LEU  33  10.057   9.057   4.610
  274   2HD1  LEU  33          HD12      LEU  33  10.469   9.367   6.288
  275   3HD1  LEU  33          HD13      LEU  33  10.167  10.747   5.229
  276   1HD2  LEU  33          HD21      LEU  33  12.236   7.938   3.798
  277   2HD2  LEU  33          HD22      LEU  33  13.673   8.347   4.755
  278   3HD2  LEU  33          HD23      LEU  33  12.213   7.717   5.544
  279    H    ILE  34           H        ILE  34   9.506   9.122   2.246
  280    HA   ILE  34           HA       ILE  34   7.831  11.504   2.897
  281    HB   ILE  34           HB       ILE  34   6.927   9.047   1.375
  282   1HG1  ILE  34          HG12      ILE  34   7.715  11.777   0.252
  283   2HG1  ILE  34          HG13      ILE  34   8.551  10.256  -0.028
  284   1HG2  ILE  34          HG21      ILE  34   5.180  10.283   2.687
  285   2HG2  ILE  34          HG22      ILE  34   5.586  11.764   1.804
  286   3HG2  ILE  34          HG23      ILE  34   4.889  10.365   0.959
  287   1HD1  ILE  34          HD11      ILE  34   5.806  11.016  -1.044
  288   2HD1  ILE  34          HD12      ILE  34   7.282  10.693  -1.968
  289   3HD1  ILE  34          HD13      ILE  34   6.471   9.364  -1.113
  290    H    HIS  35           H        HIS  35   6.874  11.317   4.918
  291    HA   HIS  35           HA       HIS  35   6.711   8.609   6.160
  292   1HB   HIS  35          HB2       HIS  35   6.018  11.200   7.545
  293   2HB   HIS  35          HB3       HIS  35   6.323   9.637   8.267
  294    HD1  HIS  35           HD1      HIS  35   8.867   9.247   9.050
  295    HD2  HIS  35           HD2      HIS  35   8.104  12.643   6.720
  296    HE1  HIS  35           HE1      HIS  35  10.958  10.675   9.165
  297    H    PHE  36           H        PHE  36   4.720   7.995   7.228
  298    HA   PHE  36           HA       PHE  36   2.247   9.465   6.536
  299   1HB   PHE  36          HB2       PHE  36   2.909   7.072   5.319
  300   2HB   PHE  36          HB3       PHE  36   1.960   6.527   6.684
  301    HD1  PHE  36           HD1      PHE  36   0.024   9.076   6.675
  302    HD2  PHE  36           HD2      PHE  36   1.403   6.342   3.626
  303    HE1  PHE  36           HE1      PHE  36  -2.031   9.482   5.370
  304    HE2  PHE  36           HE2      PHE  36  -0.666   6.755   2.337
  305    HZ   PHE  36           HZ       PHE  36  -2.395   8.320   3.205
  306    H    TRP  37           H        TRP  37   1.482  10.098   8.673
  307    HA   TRP  37           HA       TRP  37   1.858   8.204  10.918
  308   1HB   TRP  37          HB2       TRP  37   3.194   9.725  12.222
  309   2HB   TRP  37          HB3       TRP  37   4.021   9.401  10.711
  310    HD1  TRP  37           HD1      TRP  37   3.805  11.374   8.814
  311    HE1  TRP  37           HE1      TRP  37   3.609  13.933   9.041
  312    HE3  TRP  37           HE3      TRP  37   2.661  11.661  13.786
  313    HZ2  TRP  37           HZ2      TRP  37   2.980  15.855  11.126
  314    HZ3  TRP  37           HZ3      TRP  37   2.440  13.854  14.897
  315    HH2  TRP  37           HH2      TRP  37   2.507  15.957  13.568
  316    H    SER  38           H        SER  38   1.140   9.422  13.058
  317    HA   SER  38           HA       SER  38  -1.291  11.053  12.650
  318   1HB   SER  38          HB2       SER  38  -1.124   8.268  13.866
  319   2HB   SER  38          HB3       SER  38  -2.512   9.348  14.064
  320    HG   SER  38           HG       SER  38  -2.660   9.399  11.740
  321    H    ILE  39           H        ILE  39  -1.861  12.202  14.680
  322    HA   ILE  39           HA       ILE  39   0.405  12.467  16.512
  323    HB   ILE  39           HB       ILE  39  -0.846  14.102  17.693
  324   1HG1  ILE  39          HG12      ILE  39  -3.280  13.729  15.909
  325   2HG1  ILE  39          HG13      ILE  39  -3.158  13.128  17.568
  326   1HG2  ILE  39          HG21      ILE  39  -0.891  15.835  16.084
  327   2HG2  ILE  39          HG22      ILE  39   0.278  14.667  15.469
  328   3HG2  ILE  39          HG23      ILE  39  -1.369  14.746  14.788
  329   1HD1  ILE  39          HD11      ILE  39  -2.715  15.492  18.330
  330   2HD1  ILE  39          HD12      ILE  39  -3.098  16.026  16.672
  331   3HD1  ILE  39          HD13      ILE  39  -4.324  15.207  17.648
  332    H    SER  40           H        SER  40  -2.583  10.650  16.394
  333    HA   SER  40           HA       SER  40  -2.864  10.285  19.177
  334   1HB   SER  40          HB2       SER  40  -4.051   8.690  16.878
  335   2HB   SER  40          HB3       SER  40  -4.689   8.802  18.533
  336    HG   SER  40           HG       SER  40  -4.475  10.779  16.533
  337    H    CYS  41           H        CYS  41  -0.343   8.862  17.506
  338    HA   CYS  41           HA       CYS  41  -0.506   6.371  19.173
  339   1HB   CYS  41          HB2       CYS  41   1.101   6.759  16.637
  340   2HB   CYS  41          HB3       CYS  41   0.841   5.259  17.527
  341    HG   CYS  41           HG       CYS  41  -0.470   5.166  15.282
  342    H    HIS  42           H        HIS  42   1.082   6.150  20.715
  343    HA   HIS  42           HA       HIS  42   2.661   8.373  21.383
  344   1HB   HIS  42          HB2       HIS  42   3.692   6.952  23.075
  345   2HB   HIS  42          HB3       HIS  42   1.949   6.745  23.039
  346    HD1  HIS  42           HD1      HIS  42   1.065   4.254  22.451
  347    HD2  HIS  42           HD2      HIS  42   5.231   4.851  22.257
  348    HE1  HIS  42           HE1      HIS  42   2.105   1.952  22.195
  349    H    LEU  43           H        LEU  43   3.664   5.389  19.599
  350    HA   LEU  43           HA       LEU  43   6.371   6.031  19.545
  351   1HB   LEU  43          HB2       LEU  43   4.973   3.893  18.928
  352   2HB   LEU  43          HB3       LEU  43   4.848   4.583  17.320
  353    HG   LEU  43           HG       LEU  43   6.483   2.847  17.683
  354   1HD1  LEU  43          HD11      LEU  43   7.886   5.400  16.794
  355   2HD1  LEU  43          HD12      LEU  43   8.271   3.744  16.325
  356   3HD1  LEU  43          HD13      LEU  43   6.746   4.466  15.803
  357   1HD2  LEU  43          HD21      LEU  43   8.212   4.828  19.212
  358   2HD2  LEU  43          HD22      LEU  43   7.304   3.482  19.940
  359   3HD2  LEU  43          HD23      LEU  43   8.608   3.151  18.790
  360    H    CYS  44           H        CYS  44   3.692   7.216  17.459
  361    HA   CYS  44           HA       CYS  44   5.330   8.580  15.539
  362   1HB   CYS  44          HB2       CYS  44   2.636   9.454  16.661
  363   2HB   CYS  44          HB3       CYS  44   3.444  10.109  15.252
  364    HG   CYS  44           HG       CYS  44   1.323   8.545  14.843
  365    H    LYS  45           H        LYS  45   4.133   9.523  18.843
  366    HA   LYS  45           HA       LYS  45   5.243  12.174  18.600
  367   1HB   LYS  45          HB2       LYS  45   4.735  10.651  21.177
  368   2HB   LYS  45          HB3       LYS  45   4.856  12.406  20.938
  369   1HG   LYS  45          HG2       LYS  45   2.561  10.618  20.067
  370   2HG   LYS  45          HG3       LYS  45   2.541  11.900  21.264
  371   1HD   LYS  45          HD2       LYS  45   3.408  13.190  18.867
  372   2HD   LYS  45          HD3       LYS  45   2.216  12.014  18.341
  373   1HE   LYS  45          HE2       LYS  45   1.027  14.015  18.750
  374   2HE   LYS  45          HE3       LYS  45   0.653  12.980  20.130
  375   1HZ   LYS  45          HZ1       LYS  45   2.297  14.235  21.415
  376   2HZ   LYS  45          HZ2       LYS  45   2.704  15.141  20.104
  377   3HZ   LYS  45          HZ3       LYS  45   1.213  15.269  20.782
  378    H    GLU  46           H        GLU  46   6.796   9.157  19.371
  379    HA   GLU  46           HA       GLU  46   9.160  10.586  20.461
  380   1HB   GLU  46          HB2       GLU  46   8.752   7.647  19.757
  381   2HB   GLU  46          HB3       GLU  46  10.105   8.347  20.666
  382   1HG   GLU  46          HG2       GLU  46   8.411   9.199  22.365
  383   2HG   GLU  46          HG3       GLU  46   7.161   8.315  21.510
  384    H    ALA  47           H        ALA  47   8.100   8.938  17.481
  385    HA   ALA  47           HA       ALA  47  10.517   9.263  16.011
  386   1HB   ALA  47          HB1       ALA  47   9.037   9.019  14.018
  387   2HB   ALA  47          HB2       ALA  47   8.685   7.776  15.240
  388   3HB   ALA  47          HB3       ALA  47   7.611   9.182  15.049
  389    H    MET  48           H        MET  48   7.661  11.433  16.433
  390    HA   MET  48           HA       MET  48   8.408  13.293  14.585
  391   1HB   MET  48          HB2       MET  48   6.747  13.609  17.117
  392   2HB   MET  48          HB3       MET  48   6.956  14.894  15.924
  393   1HG   MET  48          HG2       MET  48   5.164  12.646  15.873
  394   2HG   MET  48          HG3       MET  48   5.143  14.085  14.916
  395   1HE   MET  48          HE1       MET  48   5.590  14.034  12.213
  396   2HE   MET  48          HE2       MET  48   7.206  14.279  12.917
  397   3HE   MET  48          HE3       MET  48   6.945  13.087  11.611
  398    HA   PRO  49           HA       PRO  49  11.092  15.891  17.534
  399   1HB   PRO  49          HB2       PRO  49  12.365  14.335  19.540
  400   2HB   PRO  49          HB3       PRO  49  11.143  15.627  19.766
  401   1HG   PRO  49          HG2       PRO  49  10.816  12.668  19.798
  402   2HG   PRO  49          HG3       PRO  49   9.854  13.905  20.647
  403   1HD   PRO  49          HD2       PRO  49   8.990  12.587  18.389
  404   2HD   PRO  49          HD3       PRO  49   8.462  14.236  18.810
  405    H    GLN  50           H        GLN  50  11.771  12.312  17.055
  406    HA   GLN  50           HA       GLN  50  14.485  13.029  16.341
  407   1HB   GLN  50          HB2       GLN  50  13.508  10.667  17.045
  408   2HB   GLN  50          HB3       GLN  50  13.427  10.437  15.295
  409   1HG   GLN  50          HG2       GLN  50  15.946  11.578  16.595
  410   2HG   GLN  50          HG3       GLN  50  15.610   9.863  16.744
  411   1HE2  GLN  50          HE22      GLN  50  15.174   8.681  14.590
  412   2HE2  GLN  50          HE21      GLN  50  16.235   9.109  13.253
  413    H    VAL  51           H        VAL  51  11.487  12.799  14.484
  414    HA   VAL  51           HA       VAL  51  12.511  13.044  11.855
  415    HB   VAL  51           HB       VAL  51   9.911  14.026  13.098
  416   1HG1  VAL  51          HG11      VAL  51  10.625  13.883  10.167
  417   2HG1  VAL  51          HG12      VAL  51   9.001  14.175  10.826
  418   3HG1  VAL  51          HG13      VAL  51  10.288  15.354  11.104
  419   1HG2  VAL  51          HG21      VAL  51  10.223  11.733  11.162
  420   2HG2  VAL  51          HG22      VAL  51  10.343  11.465  12.894
  421   3HG2  VAL  51          HG23      VAL  51   8.854  12.106  12.209
  422    H    ASN  52           H        ASN  52  11.926  15.462  14.486
  423    HA   ASN  52           HA       ASN  52  12.548  17.750  12.943
  424   1HB   ASN  52          HB2       ASN  52  11.984  18.674  14.846
  425   2HB   ASN  52          HB3       ASN  52  12.065  17.166  15.710
  426   1HD2  ASN  52          HD22      ASN  52  13.931  16.716  17.022
  427   2HD2  ASN  52          HD21      ASN  52  15.123  17.954  17.374
  428    H    GLU  53           H        GLU  53  14.826  15.658  14.901
  429    HA   GLU  53           HA       GLU  53  17.002  17.362  13.936
  430   1HB   GLU  53          HB2       GLU  53  18.521  15.914  15.126
  431   2HB   GLU  53          HB3       GLU  53  17.205  16.484  16.149
  432   1HG   GLU  53          HG2       GLU  53  16.129  14.348  16.128
  433   2HG   GLU  53          HG3       GLU  53  17.183  13.747  14.843
  434    H    PHE  54           H        PHE  54  15.565  14.350  12.844
  435    HA   PHE  54           HA       PHE  54  17.622  13.378  11.107
  436   1HB   PHE  54          HB2       PHE  54  15.811  12.022  11.941
  437   2HB   PHE  54          HB3       PHE  54  14.617  13.156  11.353
  438    HD1  PHE  54           HD1      PHE  54  13.785  13.160   9.137
  439    HD2  PHE  54           HD2      PHE  54  16.838  10.379  10.399
  440    HE1  PHE  54           HE1      PHE  54  13.178  11.654   7.283
  441    HE2  PHE  54           HE2      PHE  54  16.229   8.872   8.511
  442    HZ   PHE  54           HZ       PHE  54  14.378   9.486   6.984
  443    H    ARG  55           H        ARG  55  14.788  15.553  10.714
  444    HA   ARG  55           HA       ARG  55  15.283  16.235   8.041
  445   1HB   ARG  55          HB2       ARG  55  13.192  16.794   8.900
  446   2HB   ARG  55          HB3       ARG  55  13.822  17.553  10.330
  447   1HG   ARG  55          HG2       ARG  55  14.019  18.757   7.536
  448   2HG   ARG  55          HG3       ARG  55  12.723  19.065   8.680
  449   1HD   ARG  55          HD2       ARG  55  15.575  20.031   8.830
  450   2HD   ARG  55          HD3       ARG  55  14.068  20.937   8.875
  451    HE   ARG  55           HE       ARG  55  14.587  19.038  11.084
  452   1HH1  ARG  55          HH11      ARG  55  14.646  22.468  10.122
  453   2HH1  ARG  55          HH12      ARG  55  14.491  23.043  11.743
  454   1HH2  ARG  55          HH21      ARG  55  14.481  19.815  13.193
  455   2HH2  ARG  55          HH22      ARG  55  14.032  21.455  13.497
  456    H    ASP  56           H        ASP  56  16.714  17.676  11.061
  457    HA   ASP  56           HA       ASP  56  17.878  19.854   9.550
  458   1HB   ASP  56          HB2       ASP  56  17.409  20.054  11.914
  459   2HB   ASP  56          HB3       ASP  56  18.501  18.706  12.275
  460    H    LYS  57           H        LYS  57  19.017  16.711  10.786
  461    HA   LYS  57           HA       LYS  57  21.698  17.029  10.178
  462   1HB   LYS  57          HB2       LYS  57  19.950  14.559  10.417
  463   2HB   LYS  57          HB3       LYS  57  21.674  14.423  10.074
  464   1HG   LYS  57          HG2       LYS  57  22.299  15.533  12.118
  465   2HG   LYS  57          HG3       LYS  57  20.628  15.889  12.523
  466   1HD   LYS  57          HD2       LYS  57  21.886  13.106  12.383
  467   2HD   LYS  57          HD3       LYS  57  21.487  14.023  13.846
  468   1HE   LYS  57          HE2       LYS  57  19.071  14.067  12.956
  469   2HE   LYS  57          HE3       LYS  57  19.577  12.815  11.813
  470   1HZ   LYS  57          HZ1       LYS  57  20.111  11.401  13.740
  471   2HZ   LYS  57          HZ2       LYS  57  19.649  12.620  14.778
  472   3HZ   LYS  57          HZ3       LYS  57  18.564  11.899  13.818
  473    H    TYR  58           H        TYR  58  19.033  16.009   8.036
  474    HA   TYR  58           HA       TYR  58  21.036  15.684   5.847
  475   1HB   TYR  58          HB2       TYR  58  18.498  14.084   6.190
  476   2HB   TYR  58          HB3       TYR  58  19.828  13.792   5.069
  477    HD1  TYR  58           HD1      TYR  58  18.422  12.624   8.038
  478    HD2  TYR  58           HD2      TYR  58  22.259  13.637   6.341
  479    HE1  TYR  58           HE1      TYR  58  19.548  11.282   9.784
  480    HE2  TYR  58           HE2      TYR  58  23.394  12.336   8.105
  481    HH   TYR  58           HH       TYR  58  23.124  11.196  10.143
  482    H    GLN  59           H        GLN  59  18.525  17.828   6.623
  483    HA   GLN  59           HA       GLN  59  17.053  17.895   4.310
  484   1HB   GLN  59          HB2       GLN  59  16.811  20.403   4.678
  485   2HB   GLN  59          HB3       GLN  59  16.311  19.330   5.957
  486   1HG   GLN  59          HG2       GLN  59  17.433  21.350   6.803
  487   2HG   GLN  59          HG3       GLN  59  18.233  19.885   7.309
  488   1HE2  GLN  59          HE22      GLN  59  20.415  20.001   7.308
  489   2HE2  GLN  59          HE21      GLN  59  21.364  20.961   6.187
  490    H    ASP  60           H        ASP  60  20.372  18.694   4.415
  491    HA   ASP  60           HA       ASP  60  20.412  20.335   1.996
  492   1HB   ASP  60          HB2       ASP  60  21.982  20.659   3.889
  493   2HB   ASP  60          HB3       ASP  60  22.650  19.053   3.613
  494    H    GLN  61           H        GLN  61  20.091  16.996   2.496
  495    HA   GLN  61           HA       GLN  61  21.326  16.296  -0.135
  496   1HB   GLN  61          HB2       GLN  61  21.693  14.810   2.494
  497   2HB   GLN  61          HB3       GLN  61  22.389  14.385   0.924
  498   1HG   GLN  61          HG2       GLN  61  23.722  16.491   0.951
  499   2HG   GLN  61          HG3       GLN  61  23.114  16.832   2.576
  500   1HE2  GLN  61          HE22      GLN  61  23.900  15.594   4.380
  501   2HE2  GLN  61          HE21      GLN  61  25.250  14.502   4.218
  502    H    LEU  62           H        LEU  62  18.680  15.876   2.083
  503    HA   LEU  62           HA       LEU  62  17.480  13.668   0.538
  504   1HB   LEU  62          HB2       LEU  62  18.763  12.568   2.289
  505   2HB   LEU  62          HB3       LEU  62  18.180  13.683   3.507
  506    HG   LEU  62           HG       LEU  62  17.248  11.354   3.555
  507   1HD1  LEU  62          HD11      LEU  62  16.274  13.147   4.804
  508   2HD1  LEU  62          HD12      LEU  62  15.094  13.359   3.491
  509   3HD1  LEU  62          HD13      LEU  62  15.194  11.823   4.383
  510   1HD2  LEU  62          HD21      LEU  62  15.537  10.602   2.143
  511   2HD2  LEU  62          HD22      LEU  62  15.514  12.143   1.245
  512   3HD2  LEU  62          HD23      LEU  62  16.916  11.043   1.136
  513    H    ASN  63           H        ASN  63  15.536  14.497   0.048
  514    HA   ASN  63           HA       ASN  63  14.414  16.833   1.423
  515   1HB   ASN  63          HB2       ASN  63  13.108  14.899  -0.561
  516   2HB   ASN  63          HB3       ASN  63  12.440  16.415   0.019
  517   1HD2  ASN  63          HD21      ASN  63  15.067  14.990  -1.941
  518   2HD2  ASN  63          HD22      ASN  63  15.097  16.353  -3.035
  519    H    VAL  64           H        VAL  64  12.820  16.708   3.096
  520    HA   VAL  64           HA       VAL  64  11.745  13.990   3.661
  521    HB   VAL  64           HB       VAL  64  11.808  16.038   5.853
  522   1HG1  VAL  64          HG11      VAL  64  12.088  13.006   5.743
  523   2HG1  VAL  64          HG12      VAL  64  11.920  13.979   7.208
  524   3HG1  VAL  64          HG13      VAL  64  10.588  13.904   6.042
  525   1HG2  VAL  64          HG21      VAL  64  13.921  15.211   6.762
  526   2HG2  VAL  64          HG22      VAL  64  14.221  14.245   5.315
  527   3HG2  VAL  64          HG23      VAL  64  14.226  16.023   5.226
  528    H    VAL  65           H        VAL  65   9.536  13.884   3.776
  529    HA   VAL  65           HA       VAL  65   7.967  16.316   4.107
  530    HB   VAL  65           HB       VAL  65   8.341  16.305   1.667
  531   1HG1  VAL  65          HG11      VAL  65   7.340  14.522   0.249
  532   2HG1  VAL  65          HG12      VAL  65   8.731  13.965   1.196
  533   3HG1  VAL  65          HG13      VAL  65   7.080  13.545   1.698
  534   1HG2  VAL  65          HG21      VAL  65   6.156  17.128   2.516
  535   2HG2  VAL  65          HG22      VAL  65   6.089  16.489   0.874
  536   3HG2  VAL  65          HG23      VAL  65   5.457  15.521   2.214
  537    H    ALA  66           H        ALA  66   5.647  15.666   4.614
  538    HA   ALA  66           HA       ALA  66   5.314  12.762   5.091
  539   1HB   ALA  66          HB1       ALA  66   6.232  13.707   7.214
  540   2HB   ALA  66          HB2       ALA  66   4.870  14.842   7.273
  541   3HB   ALA  66          HB3       ALA  66   4.585  13.095   7.378
  542    H    VAL  67           H        VAL  67   3.144  12.226   5.788
  543    HA   VAL  67           HA       VAL  67   1.015  14.060   4.842
  544    HB   VAL  67           HB       VAL  67   1.248  11.106   4.097
  545   1HG1  VAL  67          HG11      VAL  67  -1.077  11.929   4.302
  546   2HG1  VAL  67          HG12      VAL  67  -0.701  13.280   3.210
  547   3HG1  VAL  67          HG13      VAL  67  -0.668  11.603   2.616
  548   1HG2  VAL  67          HG21      VAL  67   1.501  12.045   1.725
  549   2HG2  VAL  67          HG22      VAL  67   1.830  13.616   2.470
  550   3HG2  VAL  67          HG23      VAL  67   2.911  12.236   2.768
  551    H    HIS  68           H        HIS  68  -0.603  14.144   6.361
  552    HA   HIS  68           HA       HIS  68  -0.126  12.501   8.770
  553   1HB   HIS  68          HB2       HIS  68  -0.352  15.076   8.753
  554   2HB   HIS  68          HB3       HIS  68  -2.086  14.794   8.593
  555    HD1  HIS  68           HD1      HIS  68   0.805  14.323  11.061
  556    HD2  HIS  68           HD2      HIS  68  -3.314  13.503  10.708
  557    HE1  HIS  68           HE1      HIS  68   0.019  13.617  13.348
  558    H    MET  69           H        MET  69  -1.223  10.629   8.936
  559    HA   MET  69           HA       MET  69  -3.532   9.986   7.294
  560   1HB   MET  69          HB2       MET  69  -1.816   8.319   7.883
  561   2HB   MET  69          HB3       MET  69  -2.112   8.611   9.590
  562   1HG   MET  69          HG2       MET  69  -3.142   6.568   8.964
  563   2HG   MET  69          HG3       MET  69  -4.414   7.719   9.341
  564   1HE   MET  69          HE1       MET  69  -5.917   5.643   8.146
  565   2HE   MET  69          HE2       MET  69  -5.406   4.999   6.561
  566   3HE   MET  69          HE3       MET  69  -4.297   4.938   7.952
  567    HA   PRO  70           HA       PRO  70  -6.220  11.591  10.626
  568   1HB   PRO  70          HB2       PRO  70  -8.611  11.560   9.381
  569   2HB   PRO  70          HB3       PRO  70  -7.310  12.687   8.893
  570   1HG   PRO  70          HG2       PRO  70  -8.005  10.012   7.625
  571   2HG   PRO  70          HG3       PRO  70  -7.764  11.592   6.812
  572   1HD   PRO  70          HD2       PRO  70  -5.771   9.707   7.057
  573   2HD   PRO  70          HD3       PRO  70  -5.438  11.462   7.050
  574    H    ARG  71           H        ARG  71  -5.270   9.317  11.318
  575    HA   ARG  71           HA       ARG  71  -6.752   6.901  11.011
  576   1HB   ARG  71          HB2       ARG  71  -4.322   7.213  11.624
  577   2HB   ARG  71          HB3       ARG  71  -4.856   7.632  13.244
  578   1HG   ARG  71          HG2       ARG  71  -6.224   5.233  12.832
  579   2HG   ARG  71          HG3       ARG  71  -4.799   5.000  11.828
  580   1HD   ARG  71          HD2       ARG  71  -4.361   4.113  13.994
  581   2HD   ARG  71          HD3       ARG  71  -3.387   5.590  13.812
  582    HE   ARG  71           HE       ARG  71  -5.573   6.590  15.018
  583   1HH1  ARG  71          HH21      ARG  71  -3.627   3.757  15.937
  584   2HH1  ARG  71          HH22      ARG  71  -4.005   3.892  17.614
  585   1HH2  ARG  71          HH11      ARG  71  -6.042   6.786  17.134
  586   2HH2  ARG  71          HH12      ARG  71  -5.427   5.687  18.341
  587    H    SER  72           H        SER  72  -7.027   9.549  13.350
  588    HA   SER  72           HA       SER  72  -9.423   8.329  14.589
  589   1HB   SER  72          HB2       SER  72  -7.593   9.804  16.402
  590   2HB   SER  72          HB3       SER  72  -8.513   8.321  16.690
  591    HG   SER  72           HG       SER  72  -6.030   8.717  15.379
  592    H    GLU  73           H        GLU  73 -10.581  10.156  15.924
  593    HA   GLU  73           HA       GLU  73 -10.926  12.366  14.164
  594   1HB   GLU  73          HB2       GLU  73 -11.916  12.056  17.015
  595   2HB   GLU  73          HB3       GLU  73 -12.459  13.261  15.826
  596   1HG   GLU  73          HG2       GLU  73 -13.225  11.440  14.324
  597   2HG   GLU  73          HG3       GLU  73 -12.759  10.242  15.533
  598    H    ASP  74           H        ASP  74  -8.779  11.915  16.916
  599    HA   ASP  74           HA       ASP  74  -8.100  14.701  17.309
  600   1HB   ASP  74          HB2       ASP  74  -6.910  12.042  18.066
  601   2HB   ASP  74          HB3       ASP  74  -5.871  13.460  18.120
  602    H    ASP  75           H        ASP  75  -7.166  12.224  14.944
  603    HA   ASP  75           HA       ASP  75  -4.823  13.738  13.998
  604   1HB   ASP  75          HB2       ASP  75  -6.076  11.245  12.811
  605   2HB   ASP  75          HB3       ASP  75  -4.459  11.885  12.521
  606    H    LEU  76           H        LEU  76  -8.082  14.171  13.650
  607    HA   LEU  76           HA       LEU  76  -8.144  14.564  10.726
  608   1HB   LEU  76          HB2       LEU  76  -9.551  12.835  11.660
  609   2HB   LEU  76          HB3       LEU  76 -10.094  13.916  12.936
  610    HG   LEU  76           HG       LEU  76 -11.348  15.244  11.404
  611   1HD1  LEU  76          HD11      LEU  76 -11.795  14.425   9.084
  612   2HD1  LEU  76          HD12      LEU  76 -10.077  14.801   9.282
  613   3HD1  LEU  76          HD13      LEU  76 -10.620  13.112   9.321
  614   1HD2  LEU  76          HD21      LEU  76 -12.409  13.426  12.625
  615   2HD2  LEU  76          HD22      LEU  76 -13.135  13.561  11.015
  616   3HD2  LEU  76          HD23      LEU  76 -11.963  12.266  11.354
  617    H    ASP  77           H        ASP  77  -7.532  16.407  13.428
  618    HA   ASP  77           HA       ASP  77  -9.034  18.779  12.410
  619   1HB   ASP  77          HB2       ASP  77  -9.569  18.165  14.748
  620   2HB   ASP  77          HB3       ASP  77  -7.852  18.333  15.147
  621    HA   PRO  78           HA       PRO  78  -4.789  19.531  11.171
  622   1HB   PRO  78          HB2       PRO  78  -5.057  21.856   9.803
  623   2HB   PRO  78          HB3       PRO  78  -5.557  20.242   9.183
  624   1HG   PRO  78          HG2       PRO  78  -7.295  22.387  10.440
  625   2HG   PRO  78          HG3       PRO  78  -7.624  21.410   8.970
  626   1HD   PRO  78          HD2       PRO  78  -8.647  20.783  11.443
  627   2HD   PRO  78          HD3       PRO  78  -8.212  19.524  10.248
  628    H    GLY  79           H        GLY  79  -6.631  21.678  13.258
  629   1HA   GLY  79          HA2       GLY  79  -4.461  23.564  13.794
  630   2HA   GLY  79          HA3       GLY  79  -5.987  23.353  14.684
  631    H    LYS  80           H        LYS  80  -5.837  20.513  15.115
  632    HA   LYS  80           HA       LYS  80  -4.096  20.395  17.424
  633   1HB   LYS  80          HB2       LYS  80  -5.388  18.140  15.823
  634   2HB   LYS  80          HB3       LYS  80  -4.425  17.903  17.275
  635   1HG   LYS  80          HG2       LYS  80  -6.003  19.173  18.629
  636   2HG   LYS  80          HG3       LYS  80  -7.000  19.511  17.198
  637   1HD   LYS  80          HD2       LYS  80  -7.366  17.094  16.855
  638   2HD   LYS  80          HD3       LYS  80  -6.340  16.692  18.218
  639   1HE   LYS  80          HE2       LYS  80  -8.739  18.529  18.585
  640   2HE   LYS  80          HE3       LYS  80  -8.987  16.787  18.420
  641   1HZ   LYS  80          HZ1       LYS  80  -7.586  16.387  20.281
  642   2HZ   LYS  80          HZ2       LYS  80  -7.253  17.993  20.490
  643   3HZ   LYS  80          HZ3       LYS  80  -8.768  17.429  20.736
  644    H    ILE  81           H        ILE  81  -3.805  19.075  14.091
  645    HA   ILE  81           HA       ILE  81  -1.285  17.863  14.517
  646    HB   ILE  81           HB       ILE  81  -2.441  18.948  11.922
  647   1HG1  ILE  81          HG12      ILE  81  -2.549  16.076  12.931
  648   2HG1  ILE  81          HG13      ILE  81  -3.853  17.200  13.222
  649   1HG2  ILE  81          HG21      ILE  81  -0.893  17.312  10.828
  650   2HG2  ILE  81          HG22      ILE  81   0.038  18.431  11.818
  651   3HG2  ILE  81          HG23      ILE  81  -0.292  16.807  12.422
  652   1HD1  ILE  81          HD11      ILE  81  -4.383  15.893  11.278
  653   2HD1  ILE  81          HD12      ILE  81  -4.140  17.565  10.787
  654   3HD1  ILE  81          HD13      ILE  81  -2.883  16.360  10.470
  655    H    LYS  82           H        LYS  82  -1.992  21.171  13.026
  656    HA   LYS  82           HA       LYS  82   0.599  22.053  12.823
  657   1HB   LYS  82          HB2       LYS  82  -1.498  23.121  12.071
  658   2HB   LYS  82          HB3       LYS  82  -1.893  23.552  13.736
  659   1HG   LYS  82          HG2       LYS  82   0.029  25.062  13.857
  660   2HG   LYS  82          HG3       LYS  82   0.584  24.537  12.246
  661   1HD   LYS  82          HD2       LYS  82  -1.556  25.296  11.264
  662   2HD   LYS  82          HD3       LYS  82  -2.112  25.817  12.864
  663   1HE   LYS  82          HE2       LYS  82  -0.204  27.424  13.000
  664   2HE   LYS  82          HE3       LYS  82   0.348  26.907  11.404
  665   1HZ   LYS  82          HZ1       LYS  82  -0.943  28.939  11.278
  666   2HZ   LYS  82          HZ2       LYS  82  -1.731  27.758  10.481
  667   3HZ   LYS  82          HZ3       LYS  82  -2.243  28.237  11.961
  668    H    GLU  83           H        GLU  83  -1.444  22.345  15.824
  669    HA   GLU  83           HA       GLU  83   0.589  23.743  17.270
  670   1HB   GLU  83          HB2       GLU  83  -1.857  22.134  18.110
  671   2HB   GLU  83          HB3       GLU  83  -0.819  22.938  19.286
  672   1HG   GLU  83          HG2       GLU  83  -2.207  24.399  16.996
  673   2HG   GLU  83          HG3       GLU  83  -2.866  24.240  18.619
  674    H    THR  84           H        THR  84  -0.172  20.266  16.979
  675    HA   THR  84           HA       THR  84   1.701  19.327  18.926
  676    HB   THR  84           HB       THR  84   0.463  18.096  16.410
  677    HG1  THR  84           HG1      THR  84  -1.091  18.532  17.805
  678   1HG2  THR  84          HG21      THR  84   2.314  16.741  16.860
  679   2HG2  THR  84          HG22      THR  84   2.062  16.834  18.628
  680   3HG2  THR  84          HG23      THR  84   0.943  15.906  17.605
  681    H    ALA  85           H        ALA  85   1.993  19.626  15.318
  682    HA   ALA  85           HA       ALA  85   4.621  18.799  15.189
  683   1HB   ALA  85          HB1       ALA  85   4.532  19.899  12.937
  684   2HB   ALA  85          HB2       ALA  85   3.112  18.888  13.308
  685   3HB   ALA  85          HB3       ALA  85   3.005  20.666  13.405
  686    H    ALA  86           H        ALA  86   3.380  22.095  15.777
  687    HA   ALA  86           HA       ALA  86   5.795  23.518  15.550
  688   1HB   ALA  86          HB1       ALA  86   3.555  23.914  17.583
  689   2HB   ALA  86          HB2       ALA  86   4.735  25.133  17.071
  690   3HB   ALA  86          HB3       ALA  86   3.535  24.529  15.908
  691    H    GLU  87           H        GLU  87   4.583  21.453  18.201
  692    HA   GLU  87           HA       GLU  87   6.583  22.383  20.107
  693   1HB   GLU  87          HB2       GLU  87   4.388  20.286  20.086
  694   2HB   GLU  87          HB3       GLU  87   5.555  20.363  21.411
  695   1HG   GLU  87          HG2       GLU  87   3.791  22.688  20.521
  696   2HG   GLU  87          HG3       GLU  87   3.390  21.572  21.819
  697    H    HIS  88           H        HIS  88   6.060  19.368  18.175
  698    HA   HIS  88           HA       HIS  88   8.586  18.227  18.978
  699   1HB   HIS  88          HB2       HIS  88   6.867  17.614  16.572
  700   2HB   HIS  88          HB3       HIS  88   8.130  16.579  17.231
  701    HD1  HIS  88           HD1      HIS  88   7.402  16.170  20.147
  702    HD2  HIS  88           HD2      HIS  88   4.534  16.778  17.112
  703    HE1  HIS  88           HE1      HIS  88   5.224  15.256  21.045
  704    H    ASP  89           H        ASP  89   8.018  20.851  16.922
  705    HA   ASP  89           HA       ASP  89   9.177  22.016  15.452
  706   1HB   ASP  89          HB2       ASP  89  11.029  21.712  17.144
  707   2HB   ASP  89          HB3       ASP  89  11.677  20.439  16.117
  708    H    ILE  90           H        ILE  90   7.800  19.571  14.578
  709    HA   ILE  90           HA       ILE  90   9.195  18.507  12.314
  710    HB   ILE  90           HB       ILE  90   6.186  18.679  12.254
  711   1HG1  ILE  90          HG12      ILE  90   7.589  16.851  14.220
  712   2HG1  ILE  90          HG13      ILE  90   6.616  18.280  14.619
  713   1HG2  ILE  90          HG21      ILE  90   7.638  17.459  10.568
  714   2HG2  ILE  90          HG22      ILE  90   8.160  16.372  11.865
  715   3HG2  ILE  90          HG23      ILE  90   6.458  16.414  11.352
  716   1HD1  ILE  90          HD11      ILE  90   5.196  16.417  14.943
  717   2HD1  ILE  90          HD12      ILE  90   4.650  17.247  13.474
  718   3HD1  ILE  90          HD13      ILE  90   5.569  15.767  13.350
  719    H    THR  91           H        THR  91  10.114  20.096  11.152
  720    HA   THR  91           HA       THR  91   8.569  22.437  10.253
  721    HB   THR  91           HB       THR  91  11.097  23.171   9.908
  722    HG1  THR  91           HG1      THR  91  11.319  21.339  12.063
  723   1HG2  THR  91          HG21      THR  91  11.112  23.983  12.251
  724   2HG2  THR  91          HG22      THR  91   9.543  24.241  11.469
  725   3HG2  THR  91          HG23      THR  91   9.740  22.908  12.626
  726    H    GLN  92           H        GLN  92   9.794  19.506   8.991
  727    HA   GLN  92           HA       GLN  92  10.350  20.246   6.293
  728   1HB   GLN  92          HB2       GLN  92   9.849  17.842   5.886
  729   2HB   GLN  92          HB3       GLN  92  10.917  18.088   7.260
  730   1HG   GLN  92          HG2       GLN  92   8.752  17.880   8.733
  731   2HG   GLN  92          HG3       GLN  92   7.961  17.315   7.263
  732   1HE2  GLN  92          HE22      GLN  92   7.687  15.068   7.772
  733   2HE2  GLN  92          HE21      GLN  92   9.060  14.034   8.155
  734    HA   PRO  93           HA       PRO  93   6.150  21.062   4.828
  735   1HB   PRO  93          HB2       PRO  93   6.075  19.691   2.418
  736   2HB   PRO  93          HB3       PRO  93   6.849  21.286   2.660
  737   1HG   PRO  93          HG2       PRO  93   8.165  18.561   2.663
  738   2HG   PRO  93          HG3       PRO  93   8.712  20.061   1.846
  739   1HD   PRO  93          HD2       PRO  93   9.767  19.296   4.205
  740   2HD   PRO  93          HD3       PRO  93   9.431  21.018   3.881
  741    H    ILE  94           H        ILE  94   4.143  20.088   5.050
  742    HA   ILE  94           HA       ILE  94   3.880  17.171   5.122
  743    HB   ILE  94           HB       ILE  94   2.923  18.921   7.421
  744   1HG1  ILE  94          HG12      ILE  94   5.278  17.004   7.463
  745   2HG1  ILE  94          HG13      ILE  94   5.324  18.763   7.587
  746   1HG2  ILE  94          HG21      ILE  94   2.827  15.896   7.071
  747   2HG2  ILE  94          HG22      ILE  94   2.335  16.768   8.539
  748   3HG2  ILE  94          HG23      ILE  94   1.449  17.009   7.054
  749   1HD1  ILE  94          HD11      ILE  94   3.872  18.542   9.690
  750   2HD1  ILE  94          HD12      ILE  94   4.388  16.831   9.670
  751   3HD1  ILE  94          HD13      ILE  94   5.587  18.129   9.768
  752    H    PHE  95           H        PHE  95   1.665  16.631   4.525
  753    HA   PHE  95           HA       PHE  95  -0.195  18.920   4.466
  754   1HB   PHE  95          HB2       PHE  95  -0.884  18.769   2.336
  755   2HB   PHE  95          HB3       PHE  95   0.827  18.497   2.131
  756    HD1  PHE  95           HD1      PHE  95  -2.549  17.025   2.011
  757    HD2  PHE  95           HD2      PHE  95   1.647  16.272   1.342
  758    HE1  PHE  95           HE1      PHE  95  -3.113  14.994   0.711
  759    HE2  PHE  95           HE2      PHE  95   1.064  14.261   0.003
  760    HZ   PHE  95           HZ       PHE  95  -1.343  13.636  -0.321
  761    H    VAL  96           H        VAL  96  -2.360  18.378   4.435
  762    HA   VAL  96           HA       VAL  96  -3.066  15.651   5.368
  763    HB   VAL  96           HB       VAL  96  -4.371  18.115   6.546
  764   1HG1  VAL  96          HG11      VAL  96  -5.502  15.964   6.838
  765   2HG1  VAL  96          HG12      VAL  96  -4.039  15.250   7.521
  766   3HG1  VAL  96          HG13      VAL  96  -4.897  16.543   8.392
  767   1HG2  VAL  96          HG21      VAL  96  -2.056  18.512   7.164
  768   2HG2  VAL  96          HG22      VAL  96  -2.931  17.927   8.573
  769   3HG2  VAL  96          HG23      VAL  96  -1.854  16.829   7.672
  770    H    ASP  97           H        ASP  97  -5.143  15.013   4.615
  771    HA   ASP  97           HA       ASP  97  -6.751  16.919   3.038
  772   1HB   ASP  97          HB2       ASP  97  -5.059  15.861   1.552
  773   2HB   ASP  97          HB3       ASP  97  -5.733  14.279   1.959
  774    H    SER  98           H        SER  98  -8.911  16.157   2.646
  775    HA   SER  98           HA       SER  98 -10.038  14.590   4.746
  776   1HB   SER  98          HB2       SER  98 -11.307  15.455   2.121
  777   2HB   SER  98          HB3       SER  98 -12.121  15.120   3.662
  778    HG   SER  98           HG       SER  98 -11.832  17.368   3.294
  779    H    ASP  99           H        ASP  99  -8.687  13.679   1.631
  780    HA   ASP  99           HA       ASP  99  -9.992  10.993   1.796
  781   1HB   ASP  99          HB2       ASP  99 -11.016  12.354   0.056
  782   2HB   ASP  99          HB3       ASP  99  -9.436  12.745  -0.620
  783    H    HIS 100           H        HIS 100  -7.051  12.840   0.881
  784    HA   HIS 100           HA       HIS 100  -4.987  12.341   0.459
  785   1HB   HIS 100          HB2       HIS 100  -5.489   9.949   2.242
  786   2HB   HIS 100          HB3       HIS 100  -3.926  10.292   1.504
  787    HD1  HIS 100           HD1      HIS 100  -5.809  11.143   4.551
  788    HD2  HIS 100           HD2      HIS 100  -3.103  13.041   1.957
  789    HE1  HIS 100           HE1      HIS 100  -4.823  13.107   5.845
  790    H    ALA 101           H        ALA 101  -4.932  12.258  -1.660
  791    HA   ALA 101           HA       ALA 101  -5.820  10.163  -3.344
  792   1HB   ALA 101          HB1       ALA 101  -3.511  12.125  -3.749
  793   2HB   ALA 101          HB2       ALA 101  -4.382  11.235  -5.014
  794   3HB   ALA 101          HB3       ALA 101  -5.228  12.472  -4.076
  795    H    LEU 102           H        LEU 102  -3.086  10.318  -1.221
  796    HA   LEU 102           HA       LEU 102  -1.282   8.484  -2.480
  797   1HB   LEU 102          HB2       LEU 102  -1.668   9.364   0.425
  798   2HB   LEU 102          HB3       LEU 102  -0.755   7.904   0.039
  799    HG   LEU 102           HG       LEU 102   0.637   9.178  -1.545
  800   1HD1  LEU 102          HD11      LEU 102  -0.705  11.510  -0.107
  801   2HD1  LEU 102          HD12      LEU 102   0.800  11.671  -1.030
  802   3HD1  LEU 102          HD13      LEU 102  -0.687  11.179  -1.864
  803   1HD2  LEU 102          HD21      LEU 102   2.094  10.044   0.281
  804   2HD2  LEU 102          HD22      LEU 102   0.725   9.881   1.422
  805   3HD2  LEU 102          HD23      LEU 102   1.421   8.453   0.644
  806    H    THR 103           H        THR 103  -4.167   8.091  -0.338
  807    HA   THR 103           HA       THR 103  -3.556   5.474   0.420
  808    HB   THR 103           HB       THR 103  -6.365   6.291  -0.112
  809    HG1  THR 103           HG1      THR 103  -5.791   8.142   0.756
  810   1HG2  THR 103          HG21      THR 103  -5.046   4.995   2.321
  811   2HG2  THR 103          HG22      THR 103  -6.786   5.297   2.131
  812   3HG2  THR 103          HG23      THR 103  -5.974   4.145   1.064
  813    H    ASP 104           H        ASP 104  -4.680   6.611  -2.748
  814    HA   ASP 104           HA       ASP 104  -5.710   3.965  -3.499
  815   1HB   ASP 104          HB2       ASP 104  -6.577   6.056  -4.529
  816   2HB   ASP 104          HB3       ASP 104  -4.964   6.399  -5.182
  817    H    ALA 105           H        ALA 105  -2.658   5.590  -3.299
  818    HA   ALA 105           HA       ALA 105  -1.340   3.541  -5.035
  819   1HB   ALA 105          HB1       ALA 105  -1.074   5.936  -5.618
  820   2HB   ALA 105          HB2       ALA 105  -0.370   6.244  -4.012
  821   3HB   ALA 105          HB3       ALA 105   0.446   5.138  -5.163
  822    H    PHE 106           H        PHE 106  -1.647   4.592  -1.687
  823    HA   PHE 106           HA       PHE 106   0.787   3.088  -0.863
  824   1HB   PHE 106          HB2       PHE 106  -0.735   5.494   0.185
  825   2HB   PHE 106          HB3       PHE 106   0.194   4.545   1.262
  826    HD1  PHE 106           HD1      PHE 106   0.594   6.407  -1.977
  827    HD2  PHE 106           HD2      PHE 106   2.454   5.013   1.653
  828    HE1  PHE 106           HE1      PHE 106   2.623   7.745  -2.493
  829    HE2  PHE 106           HE2      PHE 106   4.468   6.352   1.137
  830    HZ   PHE 106           HZ       PHE 106   4.559   7.726  -0.936
  831    H    GLU 107           H        GLU 107  -2.704   3.119  -0.822
  832    HA   GLU 107           HA       GLU 107  -4.276   2.110   0.390
  833   1HB   GLU 107          HB2       GLU 107  -3.120   0.559  -1.354
  834   2HB   GLU 107          HB3       GLU 107  -2.636  -0.393   0.057
  835   1HG   GLU 107          HG2       GLU 107  -5.102  -0.422   0.732
  836   2HG   GLU 107          HG3       GLU 107  -5.462   0.453  -0.761
  837    H    ASN 108           H        ASN 108  -2.910   3.479   2.097
  838    HA   ASN 108           HA       ASN 108  -1.457   2.526   4.122
  839   1HB   ASN 108          HB2       ASN 108  -2.057   4.882   3.881
  840   2HB   ASN 108          HB3       ASN 108  -3.689   4.553   4.475
  841   1HD2  ASN 108          HD22      ASN 108  -0.985   6.035   5.571
  842   2HD2  ASN 108          HD21      ASN 108  -0.984   5.394   7.227
  843    H    GLU 109           H        GLU 109  -1.524   1.248   5.834
  844    HA   GLU 109           HA       GLU 109  -3.963   0.856   7.350
  845   1HB   GLU 109          HB2       GLU 109  -3.840  -0.943   5.484
  846   2HB   GLU 109          HB3       GLU 109  -2.480  -1.619   6.378
  847   1HG   GLU 109          HG2       GLU 109  -4.011  -1.892   8.374
  848   2HG   GLU 109          HG3       GLU 109  -5.318  -1.173   7.439
  849    H    TYR 110           H        TYR 110  -1.416   2.311   7.751
  850    HA   TYR 110           HA       TYR 110  -0.227   1.044  10.059
  851   1HB   TYR 110          HB2       TYR 110   2.018   1.326   8.857
  852   2HB   TYR 110          HB3       TYR 110   0.976   0.022   8.282
  853    HD1  TYR 110           HD1      TYR 110   0.483  -0.223   6.008
  854    HD2  TYR 110           HD2      TYR 110   1.919   3.579   7.463
  855    HE1  TYR 110           HE1      TYR 110   0.449   0.681   3.704
  856    HE2  TYR 110           HE2      TYR 110   1.837   4.515   5.191
  857    HH   TYR 110           HH       TYR 110   0.693   2.546   2.391
  858    H    VAL 111           H        VAL 111   0.771   2.530  11.241
  859    HA   VAL 111           HA       VAL 111   1.922   4.971  10.361
  860    HB   VAL 111           HB       VAL 111   0.697   6.391  12.122
  861   1HG1  VAL 111          HG11      VAL 111  -0.566   7.453  10.577
  862   2HG1  VAL 111          HG12      VAL 111   0.560   6.582   9.532
  863   3HG1  VAL 111          HG13      VAL 111  -1.096   5.984   9.759
  864   1HG2  VAL 111          HG21      VAL 111  -0.739   4.657  13.145
  865   2HG2  VAL 111          HG22      VAL 111  -1.665   6.010  12.484
  866   3HG2  VAL 111          HG23      VAL 111  -1.609   4.470  11.605
  867    HA   PRO 112           HA       PRO 112   3.246   6.461  11.195
  868   1HB   PRO 112          HB2       PRO 112   5.821   6.826  11.969
  869   2HB   PRO 112          HB3       PRO 112   4.457   7.507  12.879
  870   1HG   PRO 112          HG2       PRO 112   6.032   4.993  13.457
  871   2HG   PRO 112          HG3       PRO 112   5.483   6.243  14.613
  872   1HD   PRO 112          HD2       PRO 112   4.159   3.842  14.188
  873   2HD   PRO 112          HD3       PRO 112   3.314   5.331  14.691
  874    H    ALA 113           H        ALA 113   4.454   6.259   9.215
  875    HA   ALA 113           HA       ALA 113   6.280   3.941   8.930
  876   1HB   ALA 113          HB1       ALA 113   3.995   4.519   7.017
  877   2HB   ALA 113          HB2       ALA 113   5.300   3.349   6.749
  878   3HB   ALA 113          HB3       ALA 113   4.152   3.080   8.074
  879    H    TYR 114           H        TYR 114   7.679   4.104   7.158
  880    HA   TYR 114           HA       TYR 114   8.085   6.854   6.086
  881   1HB   TYR 114          HB2       TYR 114  10.549   5.523   6.946
  882   2HB   TYR 114          HB3       TYR 114   9.997   7.153   7.224
  883    HD1  TYR 114           HD1      TYR 114  10.543   3.912   8.681
  884    HD2  TYR 114           HD2      TYR 114   8.301   7.539   9.192
  885    HE1  TYR 114           HE1      TYR 114  10.172   3.329  11.062
  886    HE2  TYR 114           HE2      TYR 114   8.006   7.031  11.591
  887    HH   TYR 114           HH       TYR 114   8.397   5.497  13.304
  888    H    TYR 115           H        TYR 115   9.039   6.919   4.062
  889    HA   TYR 115           HA       TYR 115   9.623   4.333   2.679
  890   1HB   TYR 115          HB2       TYR 115   7.700   6.574   1.899
  891   2HB   TYR 115          HB3       TYR 115   8.299   5.368   0.776
  892    HD1  TYR 115           HD1      TYR 115   7.424   3.155   0.688
  893    HD2  TYR 115           HD2      TYR 115   6.151   5.861   3.793
  894    HE1  TYR 115           HE1      TYR 115   5.670   1.558   1.331
  895    HE2  TYR 115           HE2      TYR 115   4.356   4.266   4.436
  896    HH   TYR 115           HH       TYR 115   3.959   1.078   2.804
  897    H    VAL 116           H        VAL 116  11.392   4.526   1.320
  898    HA   VAL 116           HA       VAL 116  12.720   7.210   1.273
  899    HB   VAL 116           HB       VAL 116  14.186   4.555   1.191
  900   1HG1  VAL 116          HG11      VAL 116  15.397   6.632   0.576
  901   2HG1  VAL 116          HG12      VAL 116  15.012   7.332   2.159
  902   3HG1  VAL 116          HG13      VAL 116  16.064   5.907   2.044
  903   1HG2  VAL 116          HG21      VAL 116  13.438   5.993   3.759
  904   2HG2  VAL 116          HG22      VAL 116  12.952   4.353   3.281
  905   3HG2  VAL 116          HG23      VAL 116  14.645   4.712   3.619
  906    H    PHE 117           H        PHE 117  13.335   7.915  -0.761
  907    HA   PHE 117           HA       PHE 117  12.872   6.084  -3.075
  908   1HB   PHE 117          HB2       PHE 117  12.121   9.013  -2.753
  909   2HB   PHE 117          HB3       PHE 117  11.966   8.075  -4.223
  910    HD1  PHE 117           HD1      PHE 117   9.948   6.945  -4.707
  911    HD2  PHE 117           HD2      PHE 117  10.710   8.281  -0.676
  912    HE1  PHE 117           HE1      PHE 117   7.621   6.387  -4.084
  913    HE2  PHE 117           HE2      PHE 117   8.389   7.707  -0.059
  914    HZ   PHE 117           HZ       PHE 117   6.835   6.746  -1.750
  915    H    ASP 118           H        ASP 118  14.193   6.300  -4.729
  916    HA   ASP 118           HA       ASP 118  16.804   7.563  -4.608
  917   1HB   ASP 118          HB2       ASP 118  16.260   5.576  -5.986
  918   2HB   ASP 118          HB3       ASP 118  15.105   6.546  -6.906
  919    H    LYS 119           H        LYS 119  17.527   9.456  -5.786
  920    HA   LYS 119           HA       LYS 119  15.929  11.712  -5.762
  921   1HB   LYS 119          HB2       LYS 119  17.710  12.831  -6.761
  922   2HB   LYS 119          HB3       LYS 119  18.457  11.547  -5.842
  923   1HG   LYS 119          HG2       LYS 119  19.638  11.121  -7.720
  924   2HG   LYS 119          HG3       LYS 119  18.172  10.365  -8.346
  925   1HD   LYS 119          HD2       LYS 119  17.541  12.815  -9.114
  926   2HD   LYS 119          HD3       LYS 119  19.239  13.181  -8.832
  927   1HE   LYS 119          HE2       LYS 119  18.128  11.023 -10.670
  928   2HE   LYS 119          HE3       LYS 119  18.656  12.632 -11.185
  929   1HZ   LYS 119          HZ1       LYS 119  20.904  12.067 -10.443
  930   2HZ   LYS 119          HZ2       LYS 119  20.429  10.561 -10.008
  931   3HZ   LYS 119          HZ3       LYS 119  20.390  11.014 -11.570
  932    H    THR 120           H        THR 120  15.684   9.280  -8.159
  933    HA   THR 120           HA       THR 120  14.413  11.199 -10.028
  934    HB   THR 120           HB       THR 120  16.320   9.451 -10.433
  935    HG1  THR 120           HG1      THR 120  15.863   9.639 -12.579
  936   1HG2  THR 120          HG21      THR 120  14.914   7.429  -9.876
  937   2HG2  THR 120          HG22      THR 120  13.923   7.779 -11.307
  938   3HG2  THR 120          HG23      THR 120  15.647   7.388 -11.486
  939    H    GLY 121           H        GLY 121  13.394   9.253  -7.481
  940   1HA   GLY 121          HA2       GLY 121  11.125   9.505  -6.886
  941   2HA   GLY 121          HA3       GLY 121  10.632   9.364  -8.574
  942    H    GLN 122           H        GLN 122  12.839   6.847  -8.042
  943    HA   GLN 122           HA       GLN 122  10.562   4.999  -7.893
  944   1HB   GLN 122          HB2       GLN 122  12.202   3.208  -8.164
  945   2HB   GLN 122          HB3       GLN 122  12.185   4.368  -9.485
  946   1HG   GLN 122          HG2       GLN 122  14.266   5.382  -8.687
  947   2HG   GLN 122          HG3       GLN 122  14.268   4.322  -7.265
  948   1HE2  GLN 122          HE22      GLN 122  14.774   4.428 -10.800
  949   2HE2  GLN 122          HE21      GLN 122  15.513   2.853 -10.898
  950    H    LEU 123           H        LEU 123   9.838   4.169  -6.119
  951    HA   LEU 123           HA       LEU 123  10.732   4.653  -3.474
  952   1HB   LEU 123          HB2       LEU 123   8.452   4.040  -4.015
  953   2HB   LEU 123          HB3       LEU 123   8.977   2.485  -4.663
  954    HG   LEU 123           HG       LEU 123   9.633   1.692  -2.504
  955   1HD1  LEU 123          HD11      LEU 123   8.868   4.420  -1.365
  956   2HD1  LEU 123          HD12      LEU 123   9.330   2.981  -0.418
  957   3HD1  LEU 123          HD13      LEU 123  10.502   3.766  -1.446
  958   1HD2  LEU 123          HD21      LEU 123   7.217   1.613  -3.120
  959   2HD2  LEU 123          HD22      LEU 123   7.476   1.632  -1.370
  960   3HD2  LEU 123          HD23      LEU 123   6.953   3.110  -2.217
  961    H    ARG 124           H        ARG 124  12.433   3.743  -2.363
  962    HA   ARG 124           HA       ARG 124  13.780   1.385  -3.604
  963   1HB   ARG 124          HB2       ARG 124  14.853   3.781  -2.064
  964   2HB   ARG 124          HB3       ARG 124  15.801   2.328  -2.317
  965   1HG   ARG 124          HG2       ARG 124  14.689   4.138  -4.493
  966   2HG   ARG 124          HG3       ARG 124  16.360   4.022  -3.973
  967   1HD   ARG 124          HD2       ARG 124  14.722   1.959  -5.496
  968   2HD   ARG 124          HD3       ARG 124  16.164   2.799  -6.044
  969    HE   ARG 124           HE       ARG 124  16.006   0.407  -4.401
  970   1HH1  ARG 124          HH21      ARG 124  18.178   3.120  -5.272
  971   2HH1  ARG 124          HH22      ARG 124  19.521   2.399  -4.404
  972   1HH2  ARG 124          HH11      ARG 124  17.926  -0.474  -3.360
  973   2HH2  ARG 124          HH12      ARG 124  19.369   0.523  -3.342
  974    H    HIS 125           H        HIS 125  12.541   2.681  -0.461
  975    HA   HIS 125           HA       HIS 125  12.699  -0.040   0.607
  976   1HB   HIS 125          HB2       HIS 125  14.999   1.102   0.866
  977   2HB   HIS 125          HB3       HIS 125  14.214   2.252   1.938
  978    HD1  HIS 125           HD1      HIS 125  15.201  -1.490   1.786
  979    HD2  HIS 125           HD2      HIS 125  13.666   1.444   4.375
  980    HE1  HIS 125           HE1      HIS 125  15.387  -2.454   4.131
  981    H    PHE 126           H        PHE 126  11.652  -0.122   2.782
  982    HA   PHE 126           HA       PHE 126  10.043   2.188   3.611
  983   1HB   PHE 126          HB2       PHE 126   8.309   1.357   2.384
  984   2HB   PHE 126          HB3       PHE 126   8.972  -0.261   2.286
  985    HD1  PHE 126           HD1      PHE 126   7.052   2.052   4.524
  986    HD2  PHE 126           HD2      PHE 126   8.284  -2.011   3.755
  987    HE1  PHE 126           HE1      PHE 126   5.373   1.216   6.165
  988    HE2  PHE 126           HE2      PHE 126   6.657  -2.822   5.443
  989    HZ   PHE 126           HZ       PHE 126   5.197  -1.200   6.648
  990    H    GLN 127           H        GLN 127   9.543   2.085   5.788
  991    HA   GLN 127           HA       GLN 127   9.916  -0.335   7.361
  992   1HB   GLN 127          HB2       GLN 127  11.535   2.213   7.844
  993   2HB   GLN 127          HB3       GLN 127  11.225   1.036   9.116
  994   1HG   GLN 127          HG2       GLN 127  12.770   0.568   6.548
  995   2HG   GLN 127          HG3       GLN 127  13.447   0.784   8.146
  996   1HE2  GLN 127          HE22      GLN 127  13.624  -1.521   6.224
  997   2HE2  GLN 127          HE21      GLN 127  13.134  -2.927   7.159
  998    H    ALA 128           H        ALA 128   8.946   0.117   9.610
  999    HA   ALA 128           HA       ALA 128   7.390   2.560   9.832
 1000   1HB   ALA 128          HB1       ALA 128   5.854   1.147   8.493
 1001   2HB   ALA 128          HB2       ALA 128   6.031  -0.182   9.660
 1002   3HB   ALA 128          HB3       ALA 128   5.224   1.323  10.137
 1003    H    GLY 129           H        GLY 129   6.453   2.797  11.897
 1004   1HA   GLY 129          HA2       GLY 129   6.481   2.780  14.184
 1005   2HA   GLY 129          HA3       GLY 129   6.132   1.067  13.948
 1006    H    GLY 130           H        GLY 130   9.188   2.998  13.522
 1007   1HA   GLY 130          HA2       GLY 130  10.595   0.911  15.132
 1008   2HA   GLY 130          HA3       GLY 130  11.325   1.899  13.860
 1009    H    SER 131           H        SER 131  11.792   1.491  16.877
 1010    HA   SER 131           HA       SER 131  11.044   3.554  18.466
 1011   1HB   SER 131          HB2       SER 131  13.770   2.209  18.516
 1012   2HB   SER 131          HB3       SER 131  12.884   2.905  19.886
 1013    HG   SER 131           HG       SER 131  12.653   0.623  19.757
 1014    H    GLY 132           H        GLY 132  11.117   5.668  18.057
 1015   1HA   GLY 132          HA2       GLY 132  11.812   7.750  17.474
 1016   2HA   GLY 132          HA3       GLY 132  13.395   7.266  18.100
 1017    H    MET 133           H        MET 133  11.939   5.653  15.267
 1018    HA   MET 133           HA       MET 133  12.785   5.257  13.226
 1019   1HB   MET 133          HB2       MET 133  13.571   8.162  13.088
 1020   2HB   MET 133          HB3       MET 133  13.144   7.079  11.768
 1021   1HG   MET 133          HG2       MET 133  10.804   6.985  12.769
 1022   2HG   MET 133          HG3       MET 133  11.309   8.353  13.773
 1023   1HE   MET 133          HE1       MET 133  12.682  10.476  12.513
 1024   2HE   MET 133          HE2       MET 133  13.457   9.524  11.226
 1025   3HE   MET 133          HE3       MET 133  12.426  10.895  10.806
 1026    H    LYS 134           H        LYS 134  14.874   5.104  15.525
 1027    HA   LYS 134           HA       LYS 134  17.248   6.299  14.545
 1028   1HB   LYS 134          HB2       LYS 134  16.748   4.036  16.510
 1029   2HB   LYS 134          HB3       LYS 134  18.380   4.593  16.171
 1030   1HG   LYS 134          HG2       LYS 134  16.291   6.636  16.985
 1031   2HG   LYS 134          HG3       LYS 134  16.976   5.564  18.197
 1032   1HD   LYS 134          HD2       LYS 134  18.172   7.671  18.172
 1033   2HD   LYS 134          HD3       LYS 134  19.235   6.332  17.735
 1034   1HE   LYS 134          HE2       LYS 134  19.053   6.954  15.340
 1035   2HE   LYS 134          HE3       LYS 134  17.955   8.279  15.761
 1036   1HZ   LYS 134          HZ1       LYS 134  20.780   8.057  16.629
 1037   2HZ   LYS 134          HZ2       LYS 134  20.227   9.022  15.432
 1038   3HZ   LYS 134          HZ3       LYS 134  19.778   9.304  16.990
 1039    H    MET 135           H        MET 135  15.803   3.295  13.535
 1040    HA   MET 135           HA       MET 135  18.244   2.329  12.232
 1041   1HB   MET 135          HB2       MET 135  16.158   0.978  13.071
 1042   2HB   MET 135          HB3       MET 135  15.426   1.436  11.541
 1043   1HG   MET 135          HG2       MET 135  17.984  -0.143  12.020
 1044   2HG   MET 135          HG3       MET 135  16.454  -0.776  11.442
 1045   1HE   MET 135          HE1       MET 135  15.419  -0.095   9.017
 1046   2HE   MET 135          HE2       MET 135  15.771   1.639   9.231
 1047   3HE   MET 135          HE3       MET 135  16.338   0.788   7.777
 1048    H    LEU 136           H        LEU 136  15.216   4.013  11.223
 1049    HA   LEU 136           HA       LEU 136  15.680   4.202   8.493
 1050   1HB   LEU 136          HB2       LEU 136  13.597   4.876   9.808
 1051   2HB   LEU 136          HB3       LEU 136  14.472   6.343  10.259
 1052    HG   LEU 136           HG       LEU 136  14.648   6.941   7.800
 1053   1HD1  LEU 136          HD11      LEU 136  12.777   4.550   7.521
 1054   2HD1  LEU 136          HD12      LEU 136  13.075   5.765   6.262
 1055   3HD1  LEU 136          HD13      LEU 136  14.393   4.733   6.801
 1056   1HD2  LEU 136          HD21      LEU 136  13.071   7.993   9.255
 1057   2HD2  LEU 136          HD22      LEU 136  12.279   7.681   7.718
 1058   3HD2  LEU 136          HD23      LEU 136  11.945   6.639   9.122
 1059    H    GLU 137           H        GLU 137  16.977   6.282  11.084
 1060    HA   GLU 137           HA       GLU 137  18.242   8.315   9.618
 1061   1HB   GLU 137          HB2       GLU 137  18.170   8.099  12.098
 1062   2HB   GLU 137          HB3       GLU 137  19.264   6.718  12.000
 1063   1HG   GLU 137          HG2       GLU 137  21.001   8.257  10.970
 1064   2HG   GLU 137          HG3       GLU 137  19.895   9.602  11.289
 1065    H    LYS 138           H        LYS 138  19.274   4.907  10.108
 1066    HA   LYS 138           HA       LYS 138  21.834   5.271   8.777
 1067   1HB   LYS 138          HB2       LYS 138  20.432   2.604   9.111
 1068   2HB   LYS 138          HB3       LYS 138  22.152   2.955   9.067
 1069   1HG   LYS 138          HG2       LYS 138  20.198   3.455  11.335
 1070   2HG   LYS 138          HG3       LYS 138  21.529   2.307  11.297
 1071   1HD   LYS 138          HD2       LYS 138  23.154   4.197  11.268
 1072   2HD   LYS 138          HD3       LYS 138  21.802   5.350  11.317
 1073   1HE   LYS 138          HE2       LYS 138  21.018   4.263  13.448
 1074   2HE   LYS 138          HE3       LYS 138  22.495   3.287  13.443
 1075   1HZ   LYS 138          HZ1       LYS 138  23.744   5.413  13.502
 1076   2HZ   LYS 138          HZ2       LYS 138  22.327   6.248  13.628
 1077   3HZ   LYS 138          HZ3       LYS 138  22.792   5.219  14.811
 1078    H    ARG 139           H        ARG 139  18.514   4.118   7.857
 1079    HA   ARG 139           HA       ARG 139  19.403   3.272   5.328
 1080   1HB   ARG 139          HB2       ARG 139  17.296   2.505   6.401
 1081   2HB   ARG 139          HB3       ARG 139  16.584   4.097   6.110
 1082   1HG   ARG 139          HG2       ARG 139  15.859   2.531   4.393
 1083   2HG   ARG 139          HG3       ARG 139  16.857   3.783   3.664
 1084   1HD   ARG 139          HD2       ARG 139  18.826   2.154   3.744
 1085   2HD   ARG 139          HD3       ARG 139  17.707   0.932   4.337
 1086    HE   ARG 139           HE       ARG 139  16.850   0.684   2.228
 1087   1HH1  ARG 139          HH21      ARG 139  18.869   3.658   2.143
 1088   2HH1  ARG 139          HH22      ARG 139  19.345   3.338   0.468
 1089   1HH2  ARG 139          HH11      ARG 139  17.464   0.527  -0.066
 1090   2HH2  ARG 139          HH12      ARG 139  18.558   1.744  -0.695
 1091    H    VAL 140           H        VAL 140  18.120   6.525   6.349
 1092    HA   VAL 140           HA       VAL 140  18.299   7.680   3.796
 1093    HB   VAL 140           HB       VAL 140  18.462   8.666   6.645
 1094   1HG1  VAL 140          HG11      VAL 140  20.057  10.165   5.715
 1095   2HG1  VAL 140          HG12      VAL 140  19.125  10.371   4.219
 1096   3HG1  VAL 140          HG13      VAL 140  18.523  11.036   5.760
 1097   1HG2  VAL 140          HG21      VAL 140  16.453   9.934   5.829
 1098   2HG2  VAL 140          HG22      VAL 140  16.620   9.143   4.256
 1099   3HG2  VAL 140          HG23      VAL 140  16.280   8.171   5.706
 1100    H    ASN 141           H        ASN 141  20.920   7.089   6.236
 1101    HA   ASN 141           HA       ASN 141  22.843   8.609   4.673
 1102   1HB   ASN 141          HB2       ASN 141  23.154   6.533   6.893
 1103   2HB   ASN 141          HB3       ASN 141  24.537   7.166   6.013
 1104   1HD2  ASN 141          HD22      ASN 141  21.803   8.179   8.141
 1105   2HD2  ASN 141          HD21      ASN 141  22.580   9.641   8.671
 1106    H    ARG 142           H        ARG 142  21.634   5.308   4.593
 1107    HA   ARG 142           HA       ARG 142  23.636   4.373   2.721
 1108   1HB   ARG 142          HB2       ARG 142  22.524   2.844   4.251
 1109   2HB   ARG 142          HB3       ARG 142  20.947   3.258   3.594
 1110   1HG   ARG 142          HG2       ARG 142  21.775   1.086   2.810
 1111   2HG   ARG 142          HG3       ARG 142  21.413   2.212   1.507
 1112   1HD   ARG 142          HD2       ARG 142  23.454   0.901   1.054
 1113   2HD   ARG 142          HD3       ARG 142  23.779   2.633   1.103
 1114    HE   ARG 142           HE       ARG 142  24.199   1.359   3.674
 1115   1HH1  ARG 142          HH21      ARG 142  25.727   1.826   0.502
 1116   2HH1  ARG 142          HH22      ARG 142  27.339   1.699   1.100
 1117   1HH2  ARG 142          HH11      ARG 142  26.352   1.202   4.477
 1118   2HH2  ARG 142          HH12      ARG 142  27.697   1.326   3.409
 1119    H    VAL 143           H        VAL 143  20.307   5.833   2.384
 1120    HA   VAL 143           HA       VAL 143  20.289   5.300  -0.415
 1121    HB   VAL 143           HB       VAL 143  18.266   5.890   1.005
 1122   1HG1  VAL 143          HG11      VAL 143  17.437   8.197   0.804
 1123   2HG1  VAL 143          HG12      VAL 143  18.876   8.125   1.805
 1124   3HG1  VAL 143          HG13      VAL 143  19.000   8.722   0.146
 1125   1HG2  VAL 143          HG21      VAL 143  18.614   7.044  -1.790
 1126   2HG2  VAL 143          HG22      VAL 143  18.227   5.358  -1.389
 1127   3HG2  VAL 143          HG23      VAL 143  17.072   6.644  -1.020
 1128    H    LEU 144           H        LEU 144  21.546   7.993   1.545
 1129    HA   LEU 144           HA       LEU 144  22.474   9.608  -0.610
 1130   1HB   LEU 144          HB2       LEU 144  23.810   9.199   2.093
 1131   2HB   LEU 144          HB3       LEU 144  24.213  10.456   0.930
 1132    HG   LEU 144           HG       LEU 144  21.553  10.108   2.308
 1133   1HD1  LEU 144          HD11      LEU 144  22.136  12.152   3.551
 1134   2HD1  LEU 144          HD12      LEU 144  23.342  10.885   3.822
 1135   3HD1  LEU 144          HD13      LEU 144  23.703  12.221   2.709
 1136   1HD2  LEU 144          HD21      LEU 144  21.083  11.099   0.196
 1137   2HD2  LEU 144          HD22      LEU 144  21.036  12.384   1.391
 1138   3HD2  LEU 144          HD23      LEU 144  22.462  12.208   0.331
 1139    H    ALA 145           H        ALA 145  24.104   6.950   1.163
 1140    HA   ALA 145           HA       ALA 145  26.439   6.909  -0.415
 1141   1HB   ALA 145          HB1       ALA 145  26.197   5.901   1.856
 1142   2HB   ALA 145          HB2       ALA 145  25.208   4.604   1.139
 1143   3HB   ALA 145          HB3       ALA 145  26.905   4.789   0.675
 1144    H    GLU 146           H        GLU 146  23.359   6.155  -1.642
 1145    HA   GLU 146           HA       GLU 146  24.695   4.644  -3.822
 1146   1HB   GLU 146          HB2       GLU 146  22.836   3.181  -4.100
 1147   2HB   GLU 146          HB3       GLU 146  23.391   3.088  -2.424
 1148   1HG   GLU 146          HG2       GLU 146  21.573   4.678  -1.805
 1149   2HG   GLU 146          HG3       GLU 146  20.925   4.568  -3.435
 1150    H    THR 147           H        THR 147  23.499   7.530  -3.008
 1151    HA   THR 147           HA       THR 147  22.489   8.128  -5.714
 1152    HB   THR 147           HB       THR 147  21.102   9.250  -3.276
 1153    HG1  THR 147           HG1      THR 147  20.767   7.143  -3.012
 1154   1HG2  THR 147          HG21      THR 147  19.279   9.520  -4.895
 1155   2HG2  THR 147          HG22      THR 147  20.777  10.253  -5.527
 1156   3HG2  THR 147          HG23      THR 147  20.248   8.674  -6.139
 1157    H    GLU 148           H        GLU 148  24.992   8.508  -4.944
 1158    HA   GLU 148           HA       GLU 148  25.355  11.410  -4.993
 1159   1HB   GLU 148          HB2       GLU 148  25.569  10.870  -2.594
 1160   2HB   GLU 148          HB3       GLU 148  26.720   9.574  -2.962
 1161   1HG   GLU 148          HG2       GLU 148  28.300  11.228  -3.891
 1162   2HG   GLU 148          HG3       GLU 148  27.139  12.523  -3.589
  Start of MODEL    9
    1   1H    MET   1           H1       MET   1   1.120  -2.384  -3.485
    2   2H    MET   1           H2       MET   1   1.326  -1.529  -2.113
    3   3H    MET   1           H3       MET   1   0.398  -0.923  -3.328
    4    HA   MET   1           HA       MET   1   2.290  -0.762  -4.778
    5   1HB   MET   1          HB2       MET   1   2.680   1.282  -4.130
    6   2HB   MET   1          HB3       MET   1   1.675   0.989  -2.735
    7   1HG   MET   1          HG2       MET   1   3.719   0.390  -1.427
    8   2HG   MET   1          HG3       MET   1   4.711   0.786  -2.833
    9   1HE   MET   1          HE1       MET   1   4.145   4.748  -3.094
   10   2HE   MET   1          HE2       MET   1   4.952   3.355  -3.856
   11   3HE   MET   1          HE3       MET   1   3.190   3.569  -3.984
   12    H    LYS   2           H        LYS   2   4.651  -0.815  -5.005
   13    HA   LYS   2           HA       LYS   2   5.974  -2.955  -3.419
   14   1HB   LYS   2          HB2       LYS   2   6.011  -2.720  -6.465
   15   2HB   LYS   2          HB3       LYS   2   6.840  -3.932  -5.483
   16   1HG   LYS   2          HG2       LYS   2   4.549  -4.690  -4.664
   17   2HG   LYS   2          HG3       LYS   2   3.841  -3.644  -5.904
   18   1HD   LYS   2          HD2       LYS   2   5.767  -5.959  -6.382
   19   2HD   LYS   2          HD3       LYS   2   4.028  -6.031  -6.618
   20   1HE   LYS   2          HE2       LYS   2   5.910  -4.180  -8.162
   21   2HE   LYS   2          HE3       LYS   2   5.385  -5.766  -8.719
   22   1HZ   LYS   2          HZ1       LYS   2   3.566  -3.481  -8.221
   23   2HZ   LYS   2          HZ2       LYS   2   4.026  -4.046  -9.677
   24   3HZ   LYS   2          HZ3       LYS   2   3.101  -4.971  -8.713
   25    H    LEU   3           H        LEU   3   8.370  -2.950  -3.987
   26    HA   LEU   3           HA       LEU   3   9.435  -0.222  -3.932
   27   1HB   LEU   3          HB2       LEU   3  10.900  -2.887  -4.091
   28   2HB   LEU   3          HB3       LEU   3  11.615  -1.308  -3.759
   29    HG   LEU   3           HG       LEU   3   9.708  -2.873  -1.978
   30   1HD1  LEU   3          HD11      LEU   3  11.582  -2.823  -0.393
   31   2HD1  LEU   3          HD12      LEU   3  12.059  -3.574  -1.924
   32   3HD1  LEU   3          HD13      LEU   3  12.565  -1.912  -1.564
   33   1HD2  LEU   3          HD21      LEU   3   9.015  -0.569  -1.769
   34   2HD2  LEU   3          HD22      LEU   3   9.956  -0.992  -0.339
   35   3HD2  LEU   3          HD23      LEU   3  10.702  -0.017  -1.637
   36    H    ARG   4           H        ARG   4  11.173   0.375  -5.336
   37    HA   ARG   4           HA       ARG   4  11.826   1.223  -7.259
   38   1HB   ARG   4          HB2       ARG   4  11.366  -1.539  -8.442
   39   2HB   ARG   4          HB3       ARG   4  12.375  -0.251  -9.115
   40   1HG   ARG   4          HG2       ARG   4  13.775  -0.300  -7.027
   41   2HG   ARG   4          HG3       ARG   4  12.827  -1.689  -6.460
   42   1HD   ARG   4          HD2       ARG   4  13.512  -2.976  -8.463
   43   2HD   ARG   4          HD3       ARG   4  14.454  -1.581  -9.034
   44    HE   ARG   4           HE       ARG   4  15.235  -2.302  -6.371
   45   1HH1  ARG   4          HH11      ARG   4  15.589  -3.412  -9.723
   46   2HH1  ARG   4          HH12      ARG   4  17.095  -4.205  -9.455
   47   1HH2  ARG   4          HH21      ARG   4  17.247  -3.359  -6.007
   48   2HH2  ARG   4          HH22      ARG   4  18.055  -4.173  -7.291
   49    H    GLN   5           H        GLN   5   8.811   1.153  -6.625
   50    HA   GLN   5           HA       GLN   5   7.649   1.647  -9.305
   51   1HB   GLN   5          HB2       GLN   5   6.668   2.192  -6.450
   52   2HB   GLN   5          HB3       GLN   5   5.766   2.621  -7.881
   53   1HG   GLN   5          HG2       GLN   5   5.711   0.217  -8.598
   54   2HG   GLN   5          HG3       GLN   5   6.527  -0.222  -7.077
   55   1HE2  GLN   5          HE22      GLN   5   5.538   1.281  -5.194
   56   2HE2  GLN   5          HE21      GLN   5   3.804   1.582  -5.249
   57    HA   PRO   6           HA       PRO   6   9.068   5.920  -8.933
   58   1HB   PRO   6          HB2       PRO   6   7.473   7.246 -10.669
   59   2HB   PRO   6          HB3       PRO   6   8.782   6.128 -11.177
   60   1HG   PRO   6          HG2       PRO   6   5.808   5.537 -10.963
   61   2HG   PRO   6          HG3       PRO   6   6.912   5.157 -12.322
   62   1HD   PRO   6          HD2       PRO   6   6.258   3.338 -10.354
   63   2HD   PRO   6          HD3       PRO   6   7.852   3.339 -11.169
   64    H    MET   7           H        MET   7   8.532   7.530  -7.548
   65    HA   MET   7           HA       MET   7   6.458   7.695  -5.787
   66   1HB   MET   7          HB2       MET   7   8.590   9.041  -5.910
   67   2HB   MET   7          HB3       MET   7   7.780  10.129  -7.045
   68   1HG   MET   7          HG2       MET   7   6.029  10.552  -5.302
   69   2HG   MET   7          HG3       MET   7   6.916   9.512  -4.185
   70   1HE   MET   7          HE1       MET   7   9.991  10.307  -4.753
   71   2HE   MET   7          HE2       MET   7  10.224  11.626  -3.599
   72   3HE   MET   7          HE3       MET   7   9.323  10.173  -3.105
   73    HA   PRO   8           HA       PRO   8   3.238   8.335  -8.781
   74   1HB   PRO   8          HB2       PRO   8   1.028   7.916  -7.304
   75   2HB   PRO   8          HB3       PRO   8   2.274   6.651  -7.518
   76   1HG   PRO   8          HG2       PRO   8   1.936   8.526  -5.141
   77   2HG   PRO   8          HG3       PRO   8   2.196   6.772  -5.110
   78   1HD   PRO   8          HD2       PRO   8   4.279   8.529  -4.850
   79   2HD   PRO   8          HD3       PRO   8   4.440   6.913  -5.601
   80    H    GLU   9           H        GLU   9   1.542   9.806  -6.020
   81    HA   GLU   9           HA       GLU   9   1.369  12.462  -7.177
   82   1HB   GLU   9          HB2       GLU   9  -0.946  12.271  -7.664
   83   2HB   GLU   9          HB3       GLU   9  -0.184  10.845  -8.388
   84   1HG   GLU   9          HG2       GLU   9  -1.034   9.436  -6.508
   85   2HG   GLU   9          HG3       GLU   9  -1.870  10.847  -5.855
   86    H    LEU  10           H        LEU  10   0.907  13.872  -5.430
   87    HA   LEU  10           HA       LEU  10   0.350  12.704  -2.743
   88   1HB   LEU  10          HB2       LEU  10   2.676  14.554  -3.432
   89   2HB   LEU  10          HB3       LEU  10   2.276  13.938  -1.835
   90    HG   LEU  10           HG       LEU  10   3.238  12.238  -4.186
   91   1HD1  LEU  10          HD11      LEU  10   4.785  13.300  -1.794
   92   2HD1  LEU  10          HD12      LEU  10   5.397  12.182  -3.033
   93   3HD1  LEU  10          HD13      LEU  10   4.955  13.829  -3.484
   94   1HD2  LEU  10          HD21      LEU  10   3.024  11.510  -1.230
   95   2HD2  LEU  10          HD22      LEU  10   1.985  10.884  -2.527
   96   3HD2  LEU  10          HD23      LEU  10   3.694  10.492  -2.530
   97    H    THR  11           H        THR  11  -1.803  13.780  -2.970
   98    HA   THR  11           HA       THR  11  -1.774  16.652  -2.698
   99    HB   THR  11           HB       THR  11  -1.273  16.398  -5.116
  100    HG1  THR  11           HG1      THR  11  -2.704  17.901  -5.736
  101   1HG2  THR  11          HG21      THR  11  -2.478  14.290  -5.608
  102   2HG2  THR  11          HG22      THR  11  -4.032  15.112  -5.352
  103   3HG2  THR  11          HG23      THR  11  -2.969  15.598  -6.690
  104    H    GLY  12           H        GLY  12  -3.958  17.550  -2.583
  105   1HA   GLY  12          HA2       GLY  12  -6.393  16.344  -2.164
  106   2HA   GLY  12          HA3       GLY  12  -5.470  16.047  -0.683
  107    H    GLU  13           H        GLU  13  -7.222  17.610   0.262
  108    HA   GLU  13           HA       GLU  13  -6.418  20.443  -0.172
  109   1HB   GLU  13          HB2       GLU  13  -8.708  21.066  -0.491
  110   2HB   GLU  13          HB3       GLU  13  -8.280  19.809  -1.650
  111   1HG   GLU  13          HG2       GLU  13  -9.457  18.117  -0.304
  112   2HG   GLU  13          HG3       GLU  13  -9.852  19.330   0.919
  113    H    LYS  14           H        LYS  14  -7.466  18.095   2.277
  114    HA   LYS  14           HA       LYS  14  -8.825  19.799   3.977
  115   1HB   LYS  14          HB2       LYS  14  -8.643  17.383   4.347
  116   2HB   LYS  14          HB3       LYS  14  -6.969  17.593   4.923
  117   1HG   LYS  14          HG2       LYS  14  -7.639  18.782   6.862
  118   2HG   LYS  14          HG3       LYS  14  -9.316  18.923   6.286
  119   1HD   LYS  14          HD2       LYS  14  -9.657  16.535   6.469
  120   2HD   LYS  14          HD3       LYS  14  -7.942  16.248   6.828
  121   1HE   LYS  14          HE2       LYS  14  -8.090  17.361   8.945
  122   2HE   LYS  14          HE3       LYS  14  -9.699  18.013   8.575
  123   1HZ   LYS  14          HZ1       LYS  14 -10.587  15.780   8.668
  124   2HZ   LYS  14          HZ2       LYS  14  -9.108  15.135   8.961
  125   3HZ   LYS  14          HZ3       LYS  14  -9.813  16.115  10.069
  126    H    ALA  15           H        ALA  15  -5.224  19.269   4.208
  127    HA   ALA  15           HA       ALA  15  -4.916  22.045   5.000
  128   1HB   ALA  15          HB1       ALA  15  -3.709  21.532   7.160
  129   2HB   ALA  15          HB2       ALA  15  -5.425  21.131   7.224
  130   3HB   ALA  15          HB3       ALA  15  -4.216  19.847   7.029
  131    H    TRP  16           H        TRP  16  -2.762  22.721   4.872
  132    HA   TRP  16           HA       TRP  16  -0.670  20.757   4.288
  133   1HB   TRP  16          HB2       TRP  16   0.264  22.197   2.537
  134   2HB   TRP  16          HB3       TRP  16  -1.243  21.429   2.050
  135    HD1  TRP  16           HD1      TRP  16  -3.331  23.008   1.584
  136    HE1  TRP  16           HE1      TRP  16  -3.581  25.503   1.120
  137    HE3  TRP  16           HE3      TRP  16   1.269  24.573   3.189
  138    HZ2  TRP  16           HZ2      TRP  16  -1.967  27.908   1.399
  139    HZ3  TRP  16           HZ3      TRP  16   1.892  26.973   3.074
  140    HH2  TRP  16           HH2      TRP  16   0.283  28.646   2.181
  141    H    LEU  17           H        LEU  17   1.076  21.310   5.462
  142    HA   LEU  17           HA       LEU  17   1.004  23.917   6.946
  143   1HB   LEU  17          HB2       LEU  17   1.723  21.245   8.178
  144   2HB   LEU  17          HB3       LEU  17   1.591  22.786   8.990
  145    HG   LEU  17           HG       LEU  17  -0.741  21.229   7.769
  146   1HD1  LEU  17          HD11      LEU  17   0.203  21.501  10.645
  147   2HD1  LEU  17          HD12      LEU  17  -1.328  20.750  10.133
  148   3HD1  LEU  17          HD13      LEU  17   0.218  20.038   9.647
  149   1HD2  LEU  17          HD21      LEU  17  -0.764  23.712   9.542
  150   2HD2  LEU  17          HD22      LEU  17  -1.265  23.635   7.855
  151   3HD2  LEU  17          HD23      LEU  17  -2.185  22.758   9.078
  152    H    ASN  18           H        ASN  18   2.940  24.831   7.204
  153    HA   ASN  18           HA       ASN  18   5.092  25.400   7.061
  154   1HB   ASN  18          HB2       ASN  18   5.809  22.548   6.380
  155   2HB   ASN  18          HB3       ASN  18   6.930  23.858   6.662
  156   1HD2  ASN  18          HD22      ASN  18   6.192  21.223   8.107
  157   2HD2  ASN  18          HD21      ASN  18   6.224  21.730   9.799
  158    H    GLY  19           H        GLY  19   3.667  23.451   4.474
  159   1HA   GLY  19          HA2       GLY  19   3.886  25.345   2.445
  160   2HA   GLY  19          HA3       GLY  19   5.402  24.436   2.379
  161    H    GLU  20           H        GLU  20   4.438  23.986   0.192
  162    HA   GLU  20           HA       GLU  20   3.221  21.305   0.211
  163   1HB   GLU  20          HB2       GLU  20   2.359  23.629  -1.597
  164   2HB   GLU  20          HB3       GLU  20   1.965  21.935  -1.889
  165   1HG   GLU  20          HG2       GLU  20   0.709  21.846   0.231
  166   2HG   GLU  20          HG3       GLU  20   1.051  23.563   0.502
  167    H    VAL  21           H        VAL  21   3.945  20.127  -1.716
  168    HA   VAL  21           HA       VAL  21   5.700  21.309  -3.642
  169    HB   VAL  21           HB       VAL  21   7.185  21.148  -1.619
  170   1HG1  VAL  21          HG11      VAL  21   7.969  19.042  -0.784
  171   2HG1  VAL  21          HG12      VAL  21   6.217  19.118  -0.584
  172   3HG1  VAL  21          HG13      VAL  21   6.911  18.143  -1.897
  173   1HG2  VAL  21          HG21      VAL  21   8.137  21.106  -3.880
  174   2HG2  VAL  21          HG22      VAL  21   9.106  20.218  -2.692
  175   3HG2  VAL  21          HG23      VAL  21   8.110  19.329  -3.852
  176    H    THR  22           H        THR  22   6.487  19.476  -5.120
  177    HA   THR  22           HA       THR  22   4.658  17.128  -5.253
  178    HB   THR  22           HB       THR  22   5.273  18.425  -7.786
  179    HG1  THR  22           HG1      THR  22   4.951  20.319  -6.578
  180   1HG2  THR  22          HG21      THR  22   2.884  18.011  -8.201
  181   2HG2  THR  22          HG22      THR  22   3.629  16.582  -7.468
  182   3HG2  THR  22          HG23      THR  22   2.619  17.654  -6.475
  183    H    ARG  23           H        ARG  23   5.466  15.473  -6.815
  184    HA   ARG  23           HA       ARG  23   8.035  14.842  -5.852
  185   1HB   ARG  23          HB2       ARG  23   8.046  12.900  -7.085
  186   2HB   ARG  23          HB3       ARG  23   6.426  13.110  -6.473
  187   1HG   ARG  23          HG2       ARG  23   7.024  13.859  -9.365
  188   2HG   ARG  23          HG3       ARG  23   7.020  12.182  -8.879
  189   1HD   ARG  23          HD2       ARG  23   4.890  12.267  -9.500
  190   2HD   ARG  23          HD3       ARG  23   4.646  12.748  -7.819
  191    HE   ARG  23           HE       ARG  23   5.072  15.121  -9.275
  192   1HH1  ARG  23          HH21      ARG  23   2.660  12.499  -9.433
  193   2HH1  ARG  23          HH22      ARG  23   1.486  13.495 -10.232
  194   1HH2  ARG  23          HH11      ARG  23   3.631  16.357 -10.344
  195   2HH2  ARG  23          HH12      ARG  23   2.029  15.781 -10.727
  196    H    GLU  24           H        GLU  24   7.048  16.464  -8.783
  197    HA   GLU  24           HA       GLU  24   9.632  16.143 -10.087
  198   1HB   GLU  24          HB2       GLU  24   8.750  17.841 -11.701
  199   2HB   GLU  24          HB3       GLU  24   7.685  16.468 -11.479
  200   1HG   GLU  24          HG2       GLU  24   7.155  18.910  -9.780
  201   2HG   GLU  24          HG3       GLU  24   6.823  19.022 -11.509
  202    H    GLN  25           H        GLN  25   8.780  18.055  -7.453
  203    HA   GLN  25           HA       GLN  25  10.945  20.056  -7.941
  204   1HB   GLN  25          HB2       GLN  25   8.607  19.970  -6.017
  205   2HB   GLN  25          HB3       GLN  25   9.807  21.258  -6.045
  206   1HG   GLN  25          HG2       GLN  25   9.049  22.129  -8.087
  207   2HG   GLN  25          HG3       GLN  25   8.229  20.655  -8.572
  208   1HE2  GLN  25          HE22      GLN  25   7.108  23.416  -8.431
  209   2HE2  GLN  25          HE21      GLN  25   5.709  23.250  -7.397
  210    H    LEU  26           H        LEU  26  10.050  17.173  -6.213
  211    HA   LEU  26           HA       LEU  26  11.951  17.526  -3.986
  212   1HB   LEU  26          HB2       LEU  26  10.026  15.325  -4.881
  213   2HB   LEU  26          HB3       LEU  26  11.155  15.102  -3.552
  214    HG   LEU  26           HG       LEU  26   9.121  17.359  -3.593
  215   1HD1  LEU  26          HD11      LEU  26   7.857  15.279  -3.718
  216   2HD1  LEU  26          HD12      LEU  26   8.810  14.574  -2.402
  217   3HD1  LEU  26          HD13      LEU  26   7.730  15.943  -2.091
  218   1HD2  LEU  26          HD21      LEU  26  10.576  16.014  -1.288
  219   2HD2  LEU  26          HD22      LEU  26  11.061  17.571  -2.012
  220   3HD2  LEU  26          HD23      LEU  26   9.512  17.429  -1.197
  221    H    ILE  27           H        ILE  27  11.411  15.274  -6.744
  222    HA   ILE  27           HA       ILE  27  14.142  14.232  -6.440
  223    HB   ILE  27           HB       ILE  27  13.209  12.817  -8.476
  224   1HG1  ILE  27          HG12      ILE  27  10.582  13.389  -7.078
  225   2HG1  ILE  27          HG13      ILE  27  11.053  13.954  -8.707
  226   1HG2  ILE  27          HG21      ILE  27  13.973  12.085  -6.167
  227   2HG2  ILE  27          HG22      ILE  27  12.279  12.221  -5.640
  228   3HG2  ILE  27          HG23      ILE  27  12.772  11.077  -6.920
  229   1HD1  ILE  27          HD11      ILE  27  10.548  11.137  -7.765
  230   2HD1  ILE  27          HD12      ILE  27   9.687  12.051  -9.012
  231   3HD1  ILE  27          HD13      ILE  27  11.354  11.511  -9.313
  232    H    GLY  28           H        GLY  28  15.172  13.581  -8.605
  233   1HA   GLY  28          HA2       GLY  28  15.750  14.249 -10.821
  234   2HA   GLY  28          HA3       GLY  28  15.334  15.927 -10.433
  235    H    GLU  29           H        GLU  29  16.757  15.164  -7.656
  236    HA   GLU  29           HA       GLU  29  19.554  15.654  -8.570
  237   1HB   GLU  29          HB2       GLU  29  18.079  17.751  -8.409
  238   2HB   GLU  29          HB3       GLU  29  17.943  17.430  -6.690
  239   1HG   GLU  29          HG2       GLU  29  19.657  19.084  -6.988
  240   2HG   GLU  29          HG3       GLU  29  20.469  17.599  -6.516
  241    H    LYS  30           H        LYS  30  17.361  15.266  -5.710
  242    HA   LYS  30           HA       LYS  30  19.526  13.804  -4.285
  243   1HB   LYS  30          HB2       LYS  30  17.687  16.018  -3.263
  244   2HB   LYS  30          HB3       LYS  30  18.618  14.970  -2.194
  245   1HG   LYS  30          HG2       LYS  30  20.718  15.789  -3.122
  246   2HG   LYS  30          HG3       LYS  30  19.842  16.752  -4.335
  247   1HD   LYS  30          HD2       LYS  30  18.843  18.151  -2.612
  248   2HD   LYS  30          HD3       LYS  30  19.505  17.128  -1.334
  249   1HE   LYS  30          HE2       LYS  30  20.847  19.100  -1.445
  250   2HE   LYS  30          HE3       LYS  30  21.814  17.744  -2.011
  251   1HZ   LYS  30          HZ1       LYS  30  21.447  18.504  -4.283
  252   2HZ   LYS  30          HZ2       LYS  30  20.479  19.729  -3.773
  253   3HZ   LYS  30          HZ3       LYS  30  22.062  19.720  -3.397
  254    HA   PRO  31           HA       PRO  31  16.219  10.887  -3.573
  255   1HB   PRO  31          HB2       PRO  31  16.967   9.748  -1.178
  256   2HB   PRO  31          HB3       PRO  31  17.764   9.417  -2.745
  257   1HG   PRO  31          HG2       PRO  31  18.632  11.351  -0.580
  258   2HG   PRO  31          HG3       PRO  31  19.629  10.146  -1.466
  259   1HD   PRO  31          HD2       PRO  31  19.561  12.773  -2.189
  260   2HD   PRO  31          HD3       PRO  31  19.666  11.479  -3.408
  261    H    THR  32           H        THR  32  14.581  10.305  -1.823
  262    HA   THR  32           HA       THR  32  13.797  12.710  -0.247
  263    HB   THR  32           HB       THR  32  12.061  11.221  -2.251
  264    HG1  THR  32           HG1      THR  32  13.469  12.648  -3.254
  265   1HG2  THR  32          HG21      THR  32  10.596  11.956  -0.487
  266   2HG2  THR  32          HG22      THR  32  11.390  13.542  -0.392
  267   3HG2  THR  32          HG23      THR  32  10.432  13.099  -1.819
  268    H    LEU  33           H        LEU  33  12.531  12.318   1.515
  269    HA   LEU  33           HA       LEU  33  11.862   9.520   2.274
  270   1HB   LEU  33          HB2       LEU  33  13.654  10.250   3.698
  271   2HB   LEU  33          HB3       LEU  33  12.960  11.870   3.865
  272    HG   LEU  33           HG       LEU  33  11.125  11.015   5.234
  273   1HD1  LEU  33          HD11      LEU  33  12.426   8.261   5.009
  274   2HD1  LEU  33          HD12      LEU  33  11.032   8.709   6.025
  275   3HD1  LEU  33          HD13      LEU  33  10.878   8.716   4.279
  276   1HD2  LEU  33          HD21      LEU  33  13.267  11.656   6.301
  277   2HD2  LEU  33          HD22      LEU  33  12.385  10.425   7.217
  278   3HD2  LEU  33          HD23      LEU  33  13.781   9.955   6.230
  279    H    ILE  34           H        ILE  34   9.686   9.306   2.329
  280    HA   ILE  34           HA       ILE  34   7.985  11.667   3.018
  281    HB   ILE  34           HB       ILE  34   7.157   9.087   1.620
  282   1HG1  ILE  34          HG12      ILE  34   7.632  11.834   0.388
  283   2HG1  ILE  34          HG13      ILE  34   8.565  10.379   0.085
  284   1HG2  ILE  34          HG21      ILE  34   5.587  11.664   2.086
  285   2HG2  ILE  34          HG22      ILE  34   4.987  10.187   1.306
  286   3HG2  ILE  34          HG23      ILE  34   5.383  10.163   3.010
  287   1HD1  ILE  34          HD11      ILE  34   7.126  10.637  -1.766
  288   2HD1  ILE  34          HD12      ILE  34   6.452   9.305  -0.804
  289   3HD1  ILE  34          HD13      ILE  34   5.705  10.920  -0.748
  290    H    HIS  35           H        HIS  35   6.887  11.381   5.017
  291    HA   HIS  35           HA       HIS  35   6.807   8.608   6.045
  292   1HB   HIS  35          HB2       HIS  35   7.507   9.125   8.204
  293   2HB   HIS  35          HB3       HIS  35   8.708   9.838   7.144
  294    HD1  HIS  35           HD1      HIS  35   6.434  10.687   9.969
  295    HD2  HIS  35           HD2      HIS  35   8.463  12.660   6.855
  296    HE1  HIS  35           HE1      HIS  35   6.468  13.156  10.584
  297    H    PHE  36           H        PHE  36   5.186   8.167   7.533
  298    HA   PHE  36           HA       PHE  36   2.715   9.791   7.186
  299   1HB   PHE  36          HB2       PHE  36   3.122   6.784   7.121
  300   2HB   PHE  36          HB3       PHE  36   1.560   7.569   7.237
  301    HD1  PHE  36           HD1      PHE  36   4.572   7.240   5.010
  302    HD2  PHE  36           HD2      PHE  36   0.393   8.279   5.299
  303    HE1  PHE  36           HE1      PHE  36   4.412   7.307   2.534
  304    HE2  PHE  36           HE2      PHE  36   0.237   8.318   2.827
  305    HZ   PHE  36           HZ       PHE  36   2.248   7.840   1.439
  306    H    TRP  37           H        TRP  37   1.730  10.223   9.208
  307    HA   TRP  37           HA       TRP  37   2.457   8.659  11.605
  308   1HB   TRP  37          HB2       TRP  37   3.450  10.662  12.689
  309   2HB   TRP  37          HB3       TRP  37   4.404  10.127  11.315
  310    HD1  TRP  37           HD1      TRP  37   3.946  11.555   8.958
  311    HE1  TRP  37           HE1      TRP  37   3.285  13.999   8.573
  312    HE3  TRP  37           HE3      TRP  37   2.787  12.858  13.768
  313    HZ2  TRP  37           HZ2      TRP  37   2.382  16.245  10.158
  314    HZ3  TRP  37           HZ3      TRP  37   2.309  15.217  14.311
  315    HH2  TRP  37           HH2      TRP  37   1.993  16.903  12.523
  316    H    SER  38           H        SER  38   1.329   9.643  13.574
  317    HA   SER  38           HA       SER  38  -1.065  11.264  12.955
  318   1HB   SER  38          HB2       SER  38  -0.971   8.495  14.231
  319   2HB   SER  38          HB3       SER  38  -2.392   9.571  14.262
  320    HG   SER  38           HG       SER  38  -2.503   9.440  12.012
  321    H    ILE  39           H        ILE  39  -1.438  12.695  14.722
  322    HA   ILE  39           HA       ILE  39   0.466  12.643  16.880
  323    HB   ILE  39           HB       ILE  39  -0.584  14.566  17.764
  324   1HG1  ILE  39          HG12      ILE  39  -2.757  14.640  15.669
  325   2HG1  ILE  39          HG13      ILE  39  -3.015  13.842  17.234
  326   1HG2  ILE  39          HG21      ILE  39  -0.397  14.724  14.727
  327   2HG2  ILE  39          HG22      ILE  39  -0.316  16.097  15.834
  328   3HG2  ILE  39          HG23      ILE  39   0.928  14.842  15.911
  329   1HD1  ILE  39          HD11      ILE  39  -2.460  15.873  18.432
  330   2HD1  ILE  39          HD12      ILE  39  -2.244  16.745  16.885
  331   3HD1  ILE  39          HD13      ILE  39  -3.831  16.088  17.333
  332    H    SER  40           H        SER  40  -1.401  10.268  16.674
  333    HA   SER  40           HA       SER  40  -2.589  10.338  19.392
  334   1HB   SER  40          HB2       SER  40  -4.424   8.955  18.347
  335   2HB   SER  40          HB3       SER  40  -4.296  10.614  17.754
  336    HG   SER  40           HG       SER  40  -4.366   9.650  15.927
  337    H    CYS  41           H        CYS  41   0.017   8.992  17.921
  338    HA   CYS  41           HA       CYS  41  -0.362   6.321  19.217
  339   1HB   CYS  41          HB2       CYS  41  -0.524   6.146  16.749
  340   2HB   CYS  41          HB3       CYS  41   1.020   6.995  16.584
  341    HG   CYS  41           HG       CYS  41   1.288   4.422  16.082
  342    H    HIS  42           H        HIS  42   1.315   5.725  20.564
  343    HA   HIS  42           HA       HIS  42   3.084   7.708  21.509
  344   1HB   HIS  42          HB2       HIS  42   2.295   5.791  22.849
  345   2HB   HIS  42          HB3       HIS  42   3.231   4.686  21.839
  346    HD1  HIS  42           HD1      HIS  42   3.908   7.655  24.279
  347    HD2  HIS  42           HD2      HIS  42   5.720   4.261  22.565
  348    HE1  HIS  42           HE1      HIS  42   6.186   7.423  25.386
  349    H    LEU  43           H        LEU  43   3.673   5.041  19.193
  350    HA   LEU  43           HA       LEU  43   6.500   5.531  18.994
  351   1HB   LEU  43          HB2       LEU  43   4.470   4.087  17.264
  352   2HB   LEU  43          HB3       LEU  43   6.038   4.468  16.587
  353    HG   LEU  43           HG       LEU  43   5.899   2.189  17.459
  354   1HD1  LEU  43          HD11      LEU  43   8.082   2.156  18.527
  355   2HD1  LEU  43          HD12      LEU  43   8.075   3.344  17.219
  356   3HD1  LEU  43          HD13      LEU  43   7.976   3.884  18.911
  357   1HD2  LEU  43          HD21      LEU  43   5.845   3.422  20.242
  358   2HD2  LEU  43          HD22      LEU  43   4.482   2.593  19.452
  359   3HD2  LEU  43          HD23      LEU  43   5.962   1.700  19.834
  360    H    CYS  44           H        CYS  44   3.672   7.024  17.355
  361    HA   CYS  44           HA       CYS  44   5.270   8.655  15.594
  362   1HB   CYS  44          HB2       CYS  44   2.498   9.185  16.734
  363   2HB   CYS  44          HB3       CYS  44   3.302  10.142  15.498
  364    HG   CYS  44           HG       CYS  44   3.657   8.210  13.791
  365    H    LYS  45           H        LYS  45   4.135   9.127  19.013
  366    HA   LYS  45           HA       LYS  45   5.168  11.784  19.170
  367   1HB   LYS  45          HB2       LYS  45   5.035   9.805  21.479
  368   2HB   LYS  45          HB3       LYS  45   5.116  11.562  21.560
  369   1HG   LYS  45          HG2       LYS  45   2.744   9.886  20.716
  370   2HG   LYS  45          HG3       LYS  45   2.887  11.010  22.059
  371   1HD   LYS  45          HD2       LYS  45   3.150  12.884  20.319
  372   2HD   LYS  45          HD3       LYS  45   2.779  11.674  19.081
  373   1HE   LYS  45          HE2       LYS  45   0.751  12.854  19.559
  374   2HE   LYS  45          HE3       LYS  45   0.587  11.219  20.191
  375   1HZ   LYS  45          HZ1       LYS  45  -0.230  12.891  21.729
  376   2HZ   LYS  45          HZ2       LYS  45   1.030  12.115  22.412
  377   3HZ   LYS  45          HZ3       LYS  45   1.221  13.627  21.812
  378    H    GLU  46           H        GLU  46   6.910   8.738  19.289
  379    HA   GLU  46           HA       GLU  46   9.347  10.012  20.361
  380   1HB   GLU  46          HB2       GLU  46   8.746   7.240  19.235
  381   2HB   GLU  46          HB3       GLU  46  10.268   7.703  19.992
  382   1HG   GLU  46          HG2       GLU  46   7.575   7.873  21.447
  383   2HG   GLU  46          HG3       GLU  46   8.574   6.428  21.430
  384    H    ALA  47           H        ALA  47   8.101   8.728  17.243
  385    HA   ALA  47           HA       ALA  47  10.467   9.350  15.746
  386   1HB   ALA  47          HB1       ALA  47   7.552   9.107  14.831
  387   2HB   ALA  47          HB2       ALA  47   8.968   9.130  13.765
  388   3HB   ALA  47          HB3       ALA  47   8.735   7.777  14.889
  389    H    MET  48           H        MET  48   7.640  11.296  16.748
  390    HA   MET  48           HA       MET  48   7.934  13.397  15.035
  391   1HB   MET  48          HB2       MET  48   6.891  13.126  17.849
  392   2HB   MET  48          HB3       MET  48   7.037  14.739  17.160
  393   1HG   MET  48          HG2       MET  48   5.591  12.522  15.677
  394   2HG   MET  48          HG3       MET  48   4.816  13.500  16.918
  395   1HE   MET  48          HE1       MET  48   5.893  13.091  13.345
  396   2HE   MET  48          HE2       MET  48   5.577  14.664  12.582
  397   3HE   MET  48          HE3       MET  48   7.080  14.424  13.476
  398    HA   PRO  49           HA       PRO  49  11.162  15.739  17.656
  399   1HB   PRO  49          HB2       PRO  49  12.637  14.199  19.485
  400   2HB   PRO  49          HB3       PRO  49  11.332  15.367  19.885
  401   1HG   PRO  49          HG2       PRO  49  11.214  12.378  19.660
  402   2HG   PRO  49          HG3       PRO  49  10.352  13.444  20.808
  403   1HD   PRO  49          HD2       PRO  49   9.143  12.387  18.602
  404   2HD   PRO  49          HD3       PRO  49   8.721  14.007  19.220
  405    H    GLN  50           H        GLN  50  11.676  12.186  16.951
  406    HA   GLN  50           HA       GLN  50  14.385  12.816  16.229
  407   1HB   GLN  50          HB2       GLN  50  13.260  10.446  16.771
  408   2HB   GLN  50          HB3       GLN  50  13.279  10.331  15.009
  409   1HG   GLN  50          HG2       GLN  50  15.779  11.336  16.424
  410   2HG   GLN  50          HG3       GLN  50  15.356   9.652  16.633
  411   1HE2  GLN  50          HE22      GLN  50  15.093   8.311  14.647
  412   2HE2  GLN  50          HE21      GLN  50  16.195   8.616  13.313
  413    H    VAL  51           H        VAL  51  11.378  12.755  14.356
  414    HA   VAL  51           HA       VAL  51  12.416  13.145  11.755
  415    HB   VAL  51           HB       VAL  51   9.843  14.053  13.112
  416   1HG1  VAL  51          HG11      VAL  51  10.247  15.649  11.282
  417   2HG1  VAL  51          HG12      VAL  51  10.445  14.297  10.151
  418   3HG1  VAL  51          HG13      VAL  51   8.888  14.565  10.970
  419   1HG2  VAL  51          HG21      VAL  51   8.759  12.307  11.934
  420   2HG2  VAL  51          HG22      VAL  51  10.153  12.029  10.869
  421   3HG2  VAL  51          HG23      VAL  51  10.226  11.553  12.561
  422    H    ASN  52           H        ASN  52  11.907  15.472  14.517
  423    HA   ASN  52           HA       ASN  52  12.616  17.764  12.995
  424   1HB   ASN  52          HB2       ASN  52  12.100  18.729  14.871
  425   2HB   ASN  52          HB3       ASN  52  12.031  17.207  15.727
  426   1HD2  ASN  52          HD22      ASN  52  13.929  16.522  16.976
  427   2HD2  ASN  52          HD21      ASN  52  15.118  17.715  17.466
  428    H    GLU  53           H        GLU  53  14.809  15.516  14.869
  429    HA   GLU  53           HA       GLU  53  17.067  17.133  13.937
  430   1HB   GLU  53          HB2       GLU  53  18.526  15.544  14.988
  431   2HB   GLU  53          HB3       GLU  53  17.272  16.105  16.090
  432   1HG   GLU  53          HG2       GLU  53  16.087  14.024  15.939
  433   2HG   GLU  53          HG3       GLU  53  17.112  13.456  14.616
  434    H    PHE  54           H        PHE  54  15.341  14.322  12.674
  435    HA   PHE  54           HA       PHE  54  17.393  13.309  10.976
  436   1HB   PHE  54          HB2       PHE  54  15.110  12.305  11.791
  437   2HB   PHE  54          HB3       PHE  54  14.407  13.152  10.430
  438    HD1  PHE  54           HD1      PHE  54  16.017  10.238  11.654
  439    HD2  PHE  54           HD2      PHE  54  15.443  12.558   8.066
  440    HE1  PHE  54           HE1      PHE  54  16.506   8.236  10.292
  441    HE2  PHE  54           HE2      PHE  54  15.987  10.574   6.705
  442    HZ   PHE  54           HZ       PHE  54  16.529   8.396   7.817
  443    H    ARG  55           H        ARG  55  14.677  15.585  10.567
  444    HA   ARG  55           HA       ARG  55  15.181  16.325   7.912
  445   1HB   ARG  55          HB2       ARG  55  13.117  17.005   8.838
  446   2HB   ARG  55          HB3       ARG  55  13.859  17.613  10.286
  447   1HG   ARG  55          HG2       ARG  55  14.891  19.316   8.242
  448   2HG   ARG  55          HG3       ARG  55  13.247  18.991   7.750
  449   1HD   ARG  55          HD2       ARG  55  13.590  21.041   9.159
  450   2HD   ARG  55          HD3       ARG  55  12.369  19.918   9.792
  451    HE   ARG  55           HE       ARG  55  14.686  19.149  11.045
  452   1HH1  ARG  55          HH21      ARG  55  12.751  22.176  11.030
  453   2HH1  ARG  55          HH22      ARG  55  13.007  22.381  12.747
  454   1HH2  ARG  55          HH11      ARG  55  15.054  19.671  13.235
  455   2HH2  ARG  55          HH12      ARG  55  14.281  21.081  13.930
  456    H    ASP  56           H        ASP  56  16.656  17.632  10.988
  457    HA   ASP  56           HA       ASP  56  17.928  19.792   9.533
  458   1HB   ASP  56          HB2       ASP  56  17.410  19.971  11.887
  459   2HB   ASP  56          HB3       ASP  56  18.441  18.575  12.250
  460    H    LYS  57           H        LYS  57  18.931  16.578  10.732
  461    HA   LYS  57           HA       LYS  57  21.641  16.841  10.195
  462   1HB   LYS  57          HB2       LYS  57  19.813  14.427  10.370
  463   2HB   LYS  57          HB3       LYS  57  21.533  14.230  10.046
  464   1HG   LYS  57          HG2       LYS  57  22.171  15.281  12.118
  465   2HG   LYS  57          HG3       LYS  57  20.508  15.684  12.516
  466   1HD   LYS  57          HD2       LYS  57  21.641  12.859  12.256
  467   2HD   LYS  57          HD3       LYS  57  21.319  13.719  13.771
  468   1HE   LYS  57          HE2       LYS  57  18.902  13.875  13.119
  469   2HE   LYS  57          HE3       LYS  57  19.254  12.883  11.693
  470   1HZ   LYS  57          HZ1       LYS  57  18.384  11.550  13.499
  471   2HZ   LYS  57          HZ2       LYS  57  19.943  11.114  13.179
  472   3HZ   LYS  57          HZ3       LYS  57  19.541  12.058  14.515
  473    H    TYR  58           H        TYR  58  18.994  15.920   8.003
  474    HA   TYR  58           HA       TYR  58  21.016  15.467   5.858
  475   1HB   TYR  58          HB2       TYR  58  18.378  14.033   6.225
  476   2HB   TYR  58          HB3       TYR  58  19.634  13.678   5.040
  477    HD1  TYR  58           HD1      TYR  58  22.091  13.290   6.131
  478    HD2  TYR  58           HD2      TYR  58  18.326  12.626   8.129
  479    HE1  TYR  58           HE1      TYR  58  23.241  11.923   7.841
  480    HE2  TYR  58           HE2      TYR  58  19.465  11.250   9.840
  481    HH   TYR  58           HH       TYR  58  21.520  10.567  10.698
  482    H    GLN  59           H        GLN  59  18.575  17.738   6.594
  483    HA   GLN  59           HA       GLN  59  17.236  17.933   4.212
  484   1HB   GLN  59          HB2       GLN  59  17.072  20.431   4.631
  485   2HB   GLN  59          HB3       GLN  59  16.486  19.351   5.869
  486   1HG   GLN  59          HG2       GLN  59  17.645  21.302   6.807
  487   2HG   GLN  59          HG3       GLN  59  18.382  19.798   7.295
  488   1HE2  GLN  59          HE22      GLN  59  20.564  19.874   7.383
  489   2HE2  GLN  59          HE21      GLN  59  21.578  20.823   6.311
  490    H    ASP  60           H        ASP  60  20.593  18.582   4.486
  491    HA   ASP  60           HA       ASP  60  20.787  20.202   2.050
  492   1HB   ASP  60          HB2       ASP  60  22.264  20.524   4.020
  493   2HB   ASP  60          HB3       ASP  60  22.919  18.904   3.791
  494    H    GLN  61           H        GLN  61  20.313  16.904   2.558
  495    HA   GLN  61           HA       GLN  61  21.743  16.074   0.066
  496   1HB   GLN  61          HB2       GLN  61  21.698  14.642   2.756
  497   2HB   GLN  61          HB3       GLN  61  22.505  14.091   1.285
  498   1HG   GLN  61          HG2       GLN  61  24.051  16.028   1.394
  499   2HG   GLN  61          HG3       GLN  61  23.281  16.556   2.894
  500   1HE2  GLN  61          HE22      GLN  61  23.864  15.559   4.864
  501   2HE2  GLN  61          HE21      GLN  61  25.019  14.256   4.961
  502    H    LEU  62           H        LEU  62  18.867  15.953   1.997
  503    HA   LEU  62           HA       LEU  62  17.633  13.762   0.444
  504   1HB   LEU  62          HB2       LEU  62  18.634  12.772   2.520
  505   2HB   LEU  62          HB3       LEU  62  17.901  14.063   3.467
  506    HG   LEU  62           HG       LEU  62  15.614  13.172   2.680
  507   1HD1  LEU  62          HD11      LEU  62  15.507  10.817   2.067
  508   2HD1  LEU  62          HD12      LEU  62  16.477  11.684   0.871
  509   3HD1  LEU  62          HD13      LEU  62  17.279  10.685   2.101
  510   1HD2  LEU  62          HD21      LEU  62  15.689  11.385   4.457
  511   2HD2  LEU  62          HD22      LEU  62  17.440  11.690   4.564
  512   3HD2  LEU  62          HD23      LEU  62  16.295  12.980   4.945
  513    H    ASN  63           H        ASN  63  15.546  14.364   0.013
  514    HA   ASN  63           HA       ASN  63  14.476  16.906   1.110
  515   1HB   ASN  63          HB2       ASN  63  13.230  14.893  -0.817
  516   2HB   ASN  63          HB3       ASN  63  12.575  16.459  -0.357
  517   1HD2  ASN  63          HD21      ASN  63  15.331  14.876  -2.040
  518   2HD2  ASN  63          HD22      ASN  63  15.540  16.192  -3.171
  519    H    VAL  64           H        VAL  64  12.658  16.898   2.565
  520    HA   VAL  64           HA       VAL  64  11.715  14.250   3.535
  521    HB   VAL  64           HB       VAL  64  12.170  16.700   5.292
  522   1HG1  VAL  64          HG11      VAL  64  10.454  15.064   6.083
  523   2HG1  VAL  64          HG12      VAL  64  11.674  13.780   6.030
  524   3HG1  VAL  64          HG13      VAL  64  11.858  15.150   7.151
  525   1HG2  VAL  64          HG21      VAL  64  14.072  15.430   6.310
  526   2HG2  VAL  64          HG22      VAL  64  13.975  14.258   4.977
  527   3HG2  VAL  64          HG23      VAL  64  14.407  15.957   4.663
  528    H    VAL  65           H        VAL  65   9.472  14.162   3.603
  529    HA   VAL  65           HA       VAL  65   7.897  16.607   3.876
  530    HB   VAL  65           HB       VAL  65   6.328  15.989   2.066
  531   1HG1  VAL  65          HG11      VAL  65   9.102  16.425   0.924
  532   2HG1  VAL  65          HG12      VAL  65   7.539  16.812   0.183
  533   3HG1  VAL  65          HG13      VAL  65   8.070  17.691   1.627
  534   1HG2  VAL  65          HG21      VAL  65   8.472  14.010   1.149
  535   2HG2  VAL  65          HG22      VAL  65   6.881  13.589   1.817
  536   3HG2  VAL  65          HG23      VAL  65   6.987  14.436   0.272
  537    H    ALA  66           H        ALA  66   5.588  15.961   4.462
  538    HA   ALA  66           HA       ALA  66   5.534  13.262   5.733
  539   1HB   ALA  66          HB1       ALA  66   6.314  15.293   7.198
  540   2HB   ALA  66          HB2       ALA  66   4.589  15.721   7.190
  541   3HB   ALA  66          HB3       ALA  66   5.120  14.153   7.822
  542    H    VAL  67           H        VAL  67   3.471  12.516   6.350
  543    HA   VAL  67           HA       VAL  67   1.116  13.880   5.152
  544    HB   VAL  67           HB       VAL  67   1.764  10.909   4.930
  545   1HG1  VAL  67          HG11      VAL  67  -0.467  12.609   3.714
  546   2HG1  VAL  67          HG12      VAL  67  -0.187  10.883   3.395
  547   3HG1  VAL  67          HG13      VAL  67  -0.657  11.416   5.013
  548   1HG2  VAL  67          HG21      VAL  67   1.988  11.334   2.478
  549   2HG2  VAL  67          HG22      VAL  67   1.954  13.084   2.804
  550   3HG2  VAL  67          HG23      VAL  67   3.276  12.070   3.425
  551    H    HIS  68           H        HIS  68  -0.095  14.373   6.959
  552    HA   HIS  68           HA       HIS  68   0.136  12.693   9.374
  553   1HB   HIS  68          HB2       HIS  68  -0.235  15.141   9.627
  554   2HB   HIS  68          HB3       HIS  68  -1.785  14.966   8.790
  555    HD1  HIS  68           HD1      HIS  68  -3.713  13.545  10.125
  556    HD2  HIS  68           HD2      HIS  68  -0.121  14.269  12.186
  557    HE1  HIS  68           HE1      HIS  68  -4.147  12.924  12.540
  558    H    MET  69           H        MET  69  -1.059  10.872   9.571
  559    HA   MET  69           HA       MET  69  -3.286  10.279   7.712
  560   1HB   MET  69          HB2       MET  69  -1.641   8.549   8.036
  561   2HB   MET  69          HB3       MET  69  -1.745   8.712   9.787
  562   1HG   MET  69          HG2       MET  69  -2.882   6.708   8.946
  563   2HG   MET  69          HG3       MET  69  -3.952   7.775   9.848
  564   1HE   MET  69          HE1       MET  69  -6.072   5.845   7.097
  565   2HE   MET  69          HE2       MET  69  -4.529   5.277   7.774
  566   3HE   MET  69          HE3       MET  69  -5.745   6.019   8.841
  567    HA   PRO  70           HA       PRO  70  -5.821  11.756  11.257
  568   1HB   PRO  70          HB2       PRO  70  -8.261  11.726  10.036
  569   2HB   PRO  70          HB3       PRO  70  -7.082  13.068   9.859
  570   1HG   PRO  70          HG2       PRO  70  -7.576  10.761   7.954
  571   2HG   PRO  70          HG3       PRO  70  -7.389  12.499   7.567
  572   1HD   PRO  70          HD2       PRO  70  -5.340  10.689   7.366
  573   2HD   PRO  70          HD3       PRO  70  -5.064  12.403   7.819
  574    H    ARG  71           H        ARG  71  -6.425  10.265  12.746
  575    HA   ARG  71           HA       ARG  71  -7.098   7.480  11.864
  576   1HB   ARG  71          HB2       ARG  71  -4.704   7.712  12.104
  577   2HB   ARG  71          HB3       ARG  71  -4.872   8.545  13.637
  578   1HG   ARG  71          HG2       ARG  71  -5.720   6.502  14.721
  579   2HG   ARG  71          HG3       ARG  71  -5.601   5.625  13.173
  580   1HD   ARG  71          HD2       ARG  71  -3.224   5.917  13.111
  581   2HD   ARG  71          HD3       ARG  71  -3.235   7.066  14.449
  582    HE   ARG  71           HE       ARG  71  -3.473   4.130  14.582
  583   1HH1  ARG  71          HH11      ARG  71  -3.635   7.200  16.419
  584   2HH1  ARG  71          HH12      ARG  71  -3.270   6.460  17.929
  585   1HH2  ARG  71          HH21      ARG  71  -3.073   3.158  16.626
  586   2HH2  ARG  71          HH22      ARG  71  -3.026   4.109  18.059
  587    H    SER  72           H        SER  72  -7.145   9.889  14.551
  588    HA   SER  72           HA       SER  72  -9.486   8.482  15.730
  589   1HB   SER  72          HB2       SER  72  -6.961   9.388  17.198
  590   2HB   SER  72          HB3       SER  72  -8.403   8.693  17.951
  591    HG   SER  72           HG       SER  72  -7.981   6.746  16.893
  592    H    GLU  73           H        GLU  73 -10.650   9.947  17.292
  593    HA   GLU  73           HA       GLU  73 -11.063  12.501  16.173
  594   1HB   GLU  73          HB2       GLU  73 -11.788  11.568  18.966
  595   2HB   GLU  73          HB3       GLU  73 -12.438  12.985  18.114
  596   1HG   GLU  73          HG2       GLU  73 -13.358  11.510  16.347
  597   2HG   GLU  73          HG3       GLU  73 -12.769  10.092  17.217
  598    H    ASP  74           H        ASP  74  -8.796  11.458  18.630
  599    HA   ASP  74           HA       ASP  74  -8.088  13.984  19.730
  600   1HB   ASP  74          HB2       ASP  74  -7.628  11.703  20.698
  601   2HB   ASP  74          HB3       ASP  74  -6.381  11.479  19.466
  602    H    ASP  75           H        ASP  75  -7.590  12.886  16.553
  603    HA   ASP  75           HA       ASP  75  -5.405  14.843  16.080
  604   1HB   ASP  75          HB2       ASP  75  -4.229  13.283  14.712
  605   2HB   ASP  75          HB3       ASP  75  -4.488  12.534  16.281
  606    H    LEU  76           H        LEU  76  -8.536  14.118  15.394
  607    HA   LEU  76           HA       LEU  76  -8.718  13.897  12.626
  608   1HB   LEU  76          HB2       LEU  76 -10.242  12.989  14.207
  609   2HB   LEU  76          HB3       LEU  76 -10.495  14.556  14.989
  610    HG   LEU  76           HG       LEU  76 -11.749  15.335  13.119
  611   1HD1  LEU  76          HD11      LEU  76 -12.549  13.760  11.345
  612   2HD1  LEU  76          HD12      LEU  76 -10.789  13.909  11.273
  613   3HD1  LEU  76          HD13      LEU  76 -11.518  12.478  12.018
  614   1HD2  LEU  76          HD21      LEU  76 -12.743  12.666  14.203
  615   2HD2  LEU  76          HD22      LEU  76 -12.840  14.223  15.047
  616   3HD2  LEU  76          HD23      LEU  76 -13.758  13.971  13.552
  617    H    ASP  77           H        ASP  77  -7.663  16.706  14.132
  618    HA   ASP  77           HA       ASP  77  -9.198  18.507  12.323
  619   1HB   ASP  77          HB2       ASP  77 -10.093  18.596  14.629
  620   2HB   ASP  77          HB3       ASP  77  -8.470  19.010  15.206
  621    HA   PRO  78           HA       PRO  78  -5.003  19.456  11.316
  622   1HB   PRO  78          HB2       PRO  78  -5.287  21.636   9.705
  623   2HB   PRO  78          HB3       PRO  78  -5.696  19.948   9.241
  624   1HG   PRO  78          HG2       PRO  78  -7.565  22.116  10.251
  625   2HG   PRO  78          HG3       PRO  78  -7.791  21.030   8.840
  626   1HD   PRO  78          HD2       PRO  78  -8.916  20.499  11.269
  627   2HD   PRO  78          HD3       PRO  78  -8.287  19.180  10.242
  628    H    GLY  79           H        GLY  79  -6.900  21.636  13.263
  629   1HA   GLY  79          HA2       GLY  79  -4.793  23.645  13.632
  630   2HA   GLY  79          HA3       GLY  79  -6.307  23.452  14.545
  631    H    LYS  80           H        LYS  80  -5.975  20.600  15.090
  632    HA   LYS  80           HA       LYS  80  -4.265  20.692  17.443
  633   1HB   LYS  80          HB2       LYS  80  -5.284  18.244  15.934
  634   2HB   LYS  80          HB3       LYS  80  -4.582  18.264  17.542
  635   1HG   LYS  80          HG2       LYS  80  -6.475  19.337  18.503
  636   2HG   LYS  80          HG3       LYS  80  -7.179  19.712  16.916
  637   1HD   LYS  80          HD2       LYS  80  -7.363  17.317  16.387
  638   2HD   LYS  80          HD3       LYS  80  -6.623  16.879  17.922
  639   1HE   LYS  80          HE2       LYS  80  -9.297  18.323  17.571
  640   2HE   LYS  80          HE3       LYS  80  -9.102  16.598  17.893
  641   1HZ   LYS  80          HZ1       LYS  80  -8.065  17.186  20.023
  642   2HZ   LYS  80          HZ2       LYS  80  -8.308  18.781  19.736
  643   3HZ   LYS  80          HZ3       LYS  80  -9.578  17.781  19.917
  644    H    ILE  81           H        ILE  81  -4.044  19.275  14.168
  645    HA   ILE  81           HA       ILE  81  -1.529  18.047  14.480
  646    HB   ILE  81           HB       ILE  81  -2.925  19.104  11.996
  647   1HG1  ILE  81          HG12      ILE  81  -2.771  16.263  13.085
  648   2HG1  ILE  81          HG13      ILE  81  -4.133  17.327  13.362
  649   1HG2  ILE  81          HG21      ILE  81  -0.641  17.062  12.185
  650   2HG2  ILE  81          HG22      ILE  81  -1.415  17.635  10.692
  651   3HG2  ILE  81          HG23      ILE  81  -0.429  18.732  11.642
  652   1HD1  ILE  81          HD11      ILE  81  -3.233  16.373  10.616
  653   2HD1  ILE  81          HD12      ILE  81  -4.644  15.822  11.528
  654   3HD1  ILE  81          HD13      ILE  81  -4.579  17.472  10.924
  655    H    LYS  82           H        LYS  82  -2.209  21.283  12.848
  656    HA   LYS  82           HA       LYS  82   0.385  22.138  12.733
  657   1HB   LYS  82          HB2       LYS  82  -1.598  23.288  11.795
  658   2HB   LYS  82          HB3       LYS  82  -2.109  23.773  13.407
  659   1HG   LYS  82          HG2       LYS  82  -1.016  25.577  12.088
  660   2HG   LYS  82          HG3       LYS  82  -0.237  25.277  13.646
  661   1HD   LYS  82          HD2       LYS  82   1.630  24.159  12.616
  662   2HD   LYS  82          HD3       LYS  82   0.767  23.971  11.103
  663   1HE   LYS  82          HE2       LYS  82   2.430  25.701  10.824
  664   2HE   LYS  82          HE3       LYS  82   0.826  26.430  10.735
  665   1HZ   LYS  82          HZ1       LYS  82   2.342  27.734  12.088
  666   2HZ   LYS  82          HZ2       LYS  82   1.122  27.202  13.021
  667   3HZ   LYS  82          HZ3       LYS  82   2.601  26.498  13.113
  668    H    GLU  83           H        GLU  83  -1.723  22.643  15.660
  669    HA   GLU  83           HA       GLU  83   0.232  24.141  17.044
  670   1HB   GLU  83          HB2       GLU  83  -2.178  24.023  17.594
  671   2HB   GLU  83          HB3       GLU  83  -1.983  22.354  18.150
  672   1HG   GLU  83          HG2       GLU  83  -0.477  23.110  19.950
  673   2HG   GLU  83          HG3       GLU  83  -0.537  24.764  19.336
  674    H    THR  84           H        THR  84  -0.316  20.627  16.904
  675    HA   THR  84           HA       THR  84   1.629  19.908  18.903
  676    HB   THR  84           HB       THR  84   0.251  18.433  16.604
  677    HG1  THR  84           HG1      THR  84  -1.259  19.051  17.946
  678   1HG2  THR  84          HG21      THR  84   0.673  16.391  18.048
  679   2HG2  THR  84          HG22      THR  84   2.039  17.068  17.146
  680   3HG2  THR  84          HG23      THR  84   1.883  17.367  18.907
  681    H    ALA  85           H        ALA  85   1.691  19.805  15.311
  682    HA   ALA  85           HA       ALA  85   4.314  19.021  14.871
  683   1HB   ALA  85          HB1       ALA  85   2.627  19.241  13.117
  684   2HB   ALA  85          HB2       ALA  85   2.578  21.006  13.326
  685   3HB   ALA  85          HB3       ALA  85   4.037  20.238  12.691
  686    H    ALA  86           H        ALA  86   3.108  22.360  15.394
  687    HA   ALA  86           HA       ALA  86   5.471  23.791  15.050
  688   1HB   ALA  86          HB1       ALA  86   4.443  25.482  16.503
  689   2HB   ALA  86          HB2       ALA  86   3.193  24.762  15.463
  690   3HB   ALA  86          HB3       ALA  86   3.336  24.271  17.173
  691    H    GLU  87           H        GLU  87   4.564  21.731  17.779
  692    HA   GLU  87           HA       GLU  87   6.642  22.871  19.550
  693   1HB   GLU  87          HB2       GLU  87   4.400  20.846  19.875
  694   2HB   GLU  87          HB3       GLU  87   5.692  21.017  21.083
  695   1HG   GLU  87          HG2       GLU  87   5.144  23.472  21.226
  696   2HG   GLU  87          HG3       GLU  87   3.761  23.191  20.169
  697    H    HIS  88           H        HIS  88   5.951  19.884  17.687
  698    HA   HIS  88           HA       HIS  88   8.354  18.529  18.456
  699   1HB   HIS  88          HB2       HIS  88   6.560  18.212  16.016
  700   2HB   HIS  88          HB3       HIS  88   7.804  17.065  16.526
  701    HD1  HIS  88           HD1      HIS  88   7.229  16.847  19.618
  702    HD2  HIS  88           HD2      HIS  88   4.314  16.996  16.578
  703    HE1  HIS  88           HE1      HIS  88   5.140  15.793  20.584
  704    H    ASP  89           H        ASP  89   8.001  21.247  16.427
  705    HA   ASP  89           HA       ASP  89   9.472  22.474  15.278
  706   1HB   ASP  89          HB2       ASP  89  11.121  21.798  17.094
  707   2HB   ASP  89          HB3       ASP  89  11.727  20.562  15.991
  708    H    ILE  90           H        ILE  90   8.127  19.923  14.149
  709    HA   ILE  90           HA       ILE  90   9.849  19.192  11.934
  710    HB   ILE  90           HB       ILE  90   7.871  17.987  11.153
  711   1HG1  ILE  90          HG12      ILE  90   6.405  19.269  13.482
  712   2HG1  ILE  90          HG13      ILE  90   6.024  19.379  11.759
  713   1HG2  ILE  90          HG21      ILE  90   9.539  17.161  12.896
  714   2HG2  ILE  90          HG22      ILE  90   8.320  17.517  14.125
  715   3HG2  ILE  90          HG23      ILE  90   7.992  16.319  12.859
  716   1HD1  ILE  90          HD11      ILE  90   4.484  17.829  12.666
  717   2HD1  ILE  90          HD12      ILE  90   5.684  16.841  11.816
  718   3HD1  ILE  90          HD13      ILE  90   5.747  17.024  13.594
  719    H    THR  91           H        THR  91  10.344  20.524  10.322
  720    HA   THR  91           HA       THR  91   8.398  22.627   9.515
  721    HB   THR  91           HB       THR  91  10.357  23.993   8.919
  722    HG1  THR  91           HG1      THR  91  12.068  22.784   8.746
  723   1HG2  THR  91          HG21      THR  91  10.966  24.626  11.192
  724   2HG2  THR  91          HG22      THR  91   9.226  24.304  11.094
  725   3HG2  THR  91          HG23      THR  91  10.307  23.110  11.835
  726    H    GLN  92           H        GLN  92   9.562  19.708   8.391
  727    HA   GLN  92           HA       GLN  92  10.030  20.284   5.628
  728   1HB   GLN  92          HB2       GLN  92   9.566  17.994   5.256
  729   2HB   GLN  92          HB3       GLN  92  10.547  18.086   6.698
  730   1HG   GLN  92          HG2       GLN  92   7.506  17.696   6.753
  731   2HG   GLN  92          HG3       GLN  92   8.629  16.375   6.567
  732   1HE2  GLN  92          HE22      GLN  92   7.551  15.505   8.608
  733   2HE2  GLN  92          HE21      GLN  92   8.132  16.145  10.102
  734    HA   PRO  93           HA       PRO  93   5.792  21.249   4.317
  735   1HB   PRO  93          HB2       PRO  93   6.236  19.221   2.123
  736   2HB   PRO  93          HB3       PRO  93   5.573  20.878   2.005
  737   1HG   PRO  93          HG2       PRO  93   8.136  20.374   1.259
  738   2HG   PRO  93          HG3       PRO  93   7.744  21.848   2.201
  739   1HD   PRO  93          HD2       PRO  93   8.897  19.234   3.201
  740   2HD   PRO  93          HD3       PRO  93   9.378  20.911   3.602
  741    H    ILE  94           H        ILE  94   3.882  20.375   5.078
  742    HA   ILE  94           HA       ILE  94   3.687  17.433   5.499
  743    HB   ILE  94           HB       ILE  94   2.871  19.676   7.366
  744   1HG1  ILE  94          HG12      ILE  94   5.202  17.812   7.298
  745   2HG1  ILE  94          HG13      ILE  94   5.066  19.524   7.712
  746   1HG2  ILE  94          HG21      ILE  94   2.075  18.018   8.937
  747   2HG2  ILE  94          HG22      ILE  94   1.186  17.881   7.449
  748   3HG2  ILE  94          HG23      ILE  94   2.463  16.695   7.796
  749   1HD1  ILE  94          HD11      ILE  94   4.403  17.190   9.518
  750   2HD1  ILE  94          HD12      ILE  94   5.775  18.289   9.632
  751   3HD1  ILE  94          HD13      ILE  94   4.137  18.910   9.929
  752    H    PHE  95           H        PHE  95   1.683  16.596   5.112
  753    HA   PHE  95           HA       PHE  95  -0.363  18.375   3.880
  754   1HB   PHE  95          HB2       PHE  95   0.989  17.555   2.105
  755   2HB   PHE  95          HB3       PHE  95   1.174  15.974   2.854
  756    HD1  PHE  95           HD1      PHE  95  -1.814  18.092   1.894
  757    HD2  PHE  95           HD2      PHE  95   0.230  14.294   1.603
  758    HE1  PHE  95           HE1      PHE  95  -3.743  17.139   0.697
  759    HE2  PHE  95           HE2      PHE  95  -1.690  13.358   0.361
  760    HZ   PHE  95           HZ       PHE  95  -3.714  14.742  -0.015
  761    H    VAL  96           H        VAL  96  -2.422  17.821   4.336
  762    HA   VAL  96           HA       VAL  96  -3.066  15.143   5.438
  763    HB   VAL  96           HB       VAL  96  -4.538  17.603   6.406
  764   1HG1  VAL  96          HG11      VAL  96  -3.958  14.914   7.698
  765   2HG1  VAL  96          HG12      VAL  96  -5.049  16.180   8.324
  766   3HG1  VAL  96          HG13      VAL  96  -5.432  15.339   6.817
  767   1HG2  VAL  96          HG21      VAL  96  -1.905  16.728   7.616
  768   2HG2  VAL  96          HG22      VAL  96  -2.354  18.325   7.022
  769   3HG2  VAL  96          HG23      VAL  96  -3.133  17.697   8.475
  770    H    ASP  97           H        ASP  97  -5.021  14.326   4.488
  771    HA   ASP  97           HA       ASP  97  -6.856  16.302   3.334
  772   1HB   ASP  97          HB2       ASP  97  -5.384  15.695   1.496
  773   2HB   ASP  97          HB3       ASP  97  -5.876  13.999   1.670
  774    H    SER  98           H        SER  98  -8.982  15.570   2.975
  775    HA   SER  98           HA       SER  98  -9.965  13.581   4.824
  776   1HB   SER  98          HB2       SER  98 -11.415  14.993   2.549
  777   2HB   SER  98          HB3       SER  98 -12.125  14.289   4.013
  778    HG   SER  98           HG       SER  98 -11.910  16.566   4.148
  779    H    ASP  99           H        ASP  99  -9.190  13.673   1.309
  780    HA   ASP  99           HA       ASP  99 -10.454  11.005   0.933
  781   1HB   ASP  99          HB2       ASP  99 -11.181  12.746  -0.606
  782   2HB   ASP  99          HB3       ASP  99  -9.519  13.094  -1.066
  783    H    HIS 100           H        HIS 100  -7.363  12.782   0.434
  784    HA   HIS 100           HA       HIS 100  -5.251  12.181   0.245
  785   1HB   HIS 100          HB2       HIS 100  -6.206   9.874   1.950
  786   2HB   HIS 100          HB3       HIS 100  -4.606   9.842   1.269
  787    HD1  HIS 100           HD1      HIS 100  -5.580  10.305   4.454
  788    HD2  HIS 100           HD2      HIS 100  -3.576  12.819   1.739
  789    HE1  HIS 100           HE1      HIS 100  -4.139  11.889   5.837
  790    H    ALA 101           H        ALA 101  -5.635  12.273  -2.031
  791    HA   ALA 101           HA       ALA 101  -6.529  10.154  -3.623
  792   1HB   ALA 101          HB1       ALA 101  -5.421  11.339  -5.469
  793   2HB   ALA 101          HB2       ALA 101  -6.231  12.493  -4.393
  794   3HB   ALA 101          HB3       ALA 101  -4.461  12.291  -4.319
  795    H    LEU 102           H        LEU 102  -3.424  10.431  -2.027
  796    HA   LEU 102           HA       LEU 102  -2.095   8.518  -3.767
  797   1HB   LEU 102          HB2       LEU 102  -0.269   8.511  -2.441
  798   2HB   LEU 102          HB3       LEU 102  -0.790  10.201  -2.474
  799    HG   LEU 102           HG       LEU 102  -1.025   8.220  -0.160
  800   1HD1  LEU 102          HD11      LEU 102   0.606   9.720   0.905
  801   2HD1  LEU 102          HD12      LEU 102   1.229   9.096  -0.634
  802   3HD1  LEU 102          HD13      LEU 102   0.615  10.760  -0.532
  803   1HD2  LEU 102          HD21      LEU 102  -2.949   9.701  -0.090
  804   2HD2  LEU 102          HD22      LEU 102  -1.810  10.180   1.170
  805   3HD2  LEU 102          HD23      LEU 102  -1.917  11.133  -0.330
  806    H    THR 103           H        THR 103  -4.562   8.099  -1.400
  807    HA   THR 103           HA       THR 103  -3.645   5.503  -0.524
  808    HB   THR 103           HB       THR 103  -6.001   5.042  -0.064
  809    HG1  THR 103           HG1      THR 103  -6.456   7.762  -0.767
  810   1HG2  THR 103          HG21      THR 103  -6.259   6.750   1.783
  811   2HG2  THR 103          HG22      THR 103  -4.710   5.906   1.740
  812   3HG2  THR 103          HG23      THR 103  -4.819   7.569   1.138
  813    H    ASP 104           H        ASP 104  -4.546   6.731  -3.638
  814    HA   ASP 104           HA       ASP 104  -5.468   4.113  -4.572
  815   1HB   ASP 104          HB2       ASP 104  -6.246   6.274  -5.616
  816   2HB   ASP 104          HB3       ASP 104  -4.571   6.637  -6.073
  817    H    ALA 105           H        ALA 105  -2.490   5.811  -4.039
  818    HA   ALA 105           HA       ALA 105  -1.024   3.918  -5.824
  819   1HB   ALA 105          HB1       ALA 105   0.628   5.582  -5.925
  820   2HB   ALA 105          HB2       ALA 105  -0.919   6.384  -6.227
  821   3HB   ALA 105          HB3       ALA 105  -0.141   6.570  -4.633
  822    H    PHE 106           H        PHE 106  -1.434   4.776  -2.459
  823    HA   PHE 106           HA       PHE 106   0.832   3.000  -1.635
  824   1HB   PHE 106          HB2       PHE 106  -0.365   5.487  -0.338
  825   2HB   PHE 106          HB3       PHE 106   0.650   4.349   0.498
  826    HD1  PHE 106           HD1      PHE 106   0.717   6.605  -2.486
  827    HD2  PHE 106           HD2      PHE 106   2.952   4.727   0.673
  828    HE1  PHE 106           HE1      PHE 106   2.646   8.106  -2.947
  829    HE2  PHE 106           HE2      PHE 106   4.897   6.161   0.158
  830    HZ   PHE 106           HZ       PHE 106   4.743   7.873  -1.650
  831    H    GLU 107           H        GLU 107  -2.629   3.766  -1.480
  832    HA   GLU 107           HA       GLU 107  -4.289   3.147  -0.053
  833   1HB   GLU 107          HB2       GLU 107  -3.614   1.107  -1.543
  834   2HB   GLU 107          HB3       GLU 107  -3.142   0.366  -0.012
  835   1HG   GLU 107          HG2       GLU 107  -5.480   0.902   0.849
  836   2HG   GLU 107          HG3       GLU 107  -5.867   1.547  -0.747
  837    H    ASN 108           H        ASN 108  -2.489   4.515   1.328
  838    HA   ASN 108           HA       ASN 108  -1.232   3.591   3.543
  839   1HB   ASN 108          HB2       ASN 108  -1.018   5.879   2.953
  840   2HB   ASN 108          HB3       ASN 108  -2.760   6.150   3.101
  841   1HD2  ASN 108          HD21      ASN 108  -2.782   7.744   4.705
  842   2HD2  ASN 108          HD22      ASN 108  -2.302   7.381   6.342
  843    H    GLU 109           H        GLU 109  -1.699   2.564   5.361
  844    HA   GLU 109           HA       GLU 109  -4.082   3.093   6.895
  845   1HB   GLU 109          HB2       GLU 109  -4.739   1.358   5.061
  846   2HB   GLU 109          HB3       GLU 109  -3.745   0.212   5.954
  847   1HG   GLU 109          HG2       GLU 109  -5.193   0.643   7.985
  848   2HG   GLU 109          HG3       GLU 109  -6.121   1.805   7.045
  849    H    TYR 110           H        TYR 110  -1.220   3.499   7.357
  850    HA   TYR 110           HA       TYR 110  -0.569   1.704   9.547
  851   1HB   TYR 110          HB2       TYR 110   1.733   1.552   8.411
  852   2HB   TYR 110          HB3       TYR 110   0.423   0.618   7.685
  853    HD1  TYR 110           HD1      TYR 110   2.146   3.937   7.326
  854    HD2  TYR 110           HD2      TYR 110   0.106   0.699   5.344
  855    HE1  TYR 110           HE1      TYR 110   2.363   5.136   5.205
  856    HE2  TYR 110           HE2      TYR 110   0.409   1.860   3.170
  857    HH   TYR 110           HH       TYR 110   1.851   5.159   2.973
  858    H    VAL 111           H        VAL 111   0.652   2.810  10.992
  859    HA   VAL 111           HA       VAL 111   2.238   5.127  10.376
  860    HB   VAL 111           HB       VAL 111   1.264   6.533  12.259
  861   1HG1  VAL 111          HG11      VAL 111  -0.055   7.833  10.922
  862   2HG1  VAL 111          HG12      VAL 111   1.018   7.028   9.771
  863   3HG1  VAL 111          HG13      VAL 111  -0.666   6.486   9.966
  864   1HG2  VAL 111          HG21      VAL 111  -1.059   6.390  12.826
  865   2HG2  VAL 111          HG22      VAL 111  -1.299   4.966  11.789
  866   3HG2  VAL 111          HG23      VAL 111  -0.293   4.870  13.255
  867    HA   PRO 112           HA       PRO 112   3.597   6.477  11.438
  868   1HB   PRO 112          HB2       PRO 112   6.252   6.436  12.228
  869   2HB   PRO 112          HB3       PRO 112   4.965   7.284  13.111
  870   1HG   PRO 112          HG2       PRO 112   6.141   4.557  13.662
  871   2HG   PRO 112          HG3       PRO 112   5.712   5.850  14.823
  872   1HD   PRO 112          HD2       PRO 112   4.087   3.685  14.372
  873   2HD   PRO 112          HD3       PRO 112   3.398   5.307  14.692
  874    H    ALA 113           H        ALA 113   4.841   6.410   9.396
  875    HA   ALA 113           HA       ALA 113   6.482   3.999   8.950
  876   1HB   ALA 113          HB1       ALA 113   5.423   3.372   6.853
  877   2HB   ALA 113          HB2       ALA 113   4.224   3.277   8.154
  878   3HB   ALA 113          HB3       ALA 113   4.237   4.670   7.024
  879    H    TYR 114           H        TYR 114   7.751   4.052   7.070
  880    HA   TYR 114           HA       TYR 114   8.364   6.814   6.114
  881   1HB   TYR 114          HB2       TYR 114  10.695   5.135   6.782
  882   2HB   TYR 114          HB3       TYR 114  10.386   6.821   7.124
  883    HD1  TYR 114           HD1      TYR 114  10.311   3.420   8.426
  884    HD2  TYR 114           HD2      TYR 114   9.045   7.470   9.172
  885    HE1  TYR 114           HE1      TYR 114   9.739   2.802  10.757
  886    HE2  TYR 114           HE2      TYR 114   8.459   6.871  11.494
  887    HH   TYR 114           HH       TYR 114   8.395   5.171  13.095
  888    H    TYR 115           H        TYR 115   8.983   6.905   4.020
  889    HA   TYR 115           HA       TYR 115   9.480   4.395   2.475
  890   1HB   TYR 115          HB2       TYR 115   7.637   6.757   1.896
  891   2HB   TYR 115          HB3       TYR 115   8.231   5.671   0.651
  892    HD1  TYR 115           HD1      TYR 115   6.253   5.646   3.865
  893    HD2  TYR 115           HD2      TYR 115   7.077   3.736   0.092
  894    HE1  TYR 115           HE1      TYR 115   4.425   4.025   4.277
  895    HE2  TYR 115           HE2      TYR 115   5.304   2.090   0.516
  896    HH   TYR 115           HH       TYR 115   3.667   1.358   1.969
  897    H    VAL 116           H        VAL 116  11.329   4.573   1.260
  898    HA   VAL 116           HA       VAL 116  12.701   7.242   1.285
  899    HB   VAL 116           HB       VAL 116  13.962   4.467   1.457
  900   1HG1  VAL 116          HG11      VAL 116  15.438   6.194   0.479
  901   2HG1  VAL 116          HG12      VAL 116  15.137   7.256   1.867
  902   3HG1  VAL 116          HG13      VAL 116  16.007   5.719   2.085
  903   1HG2  VAL 116          HG21      VAL 116  12.774   4.860   3.569
  904   2HG2  VAL 116          HG22      VAL 116  14.514   5.011   3.814
  905   3HG2  VAL 116          HG23      VAL 116  13.509   6.475   3.703
  906    H    PHE 117           H        PHE 117  13.310   7.954  -0.739
  907    HA   PHE 117           HA       PHE 117  12.945   6.077  -3.028
  908   1HB   PHE 117          HB2       PHE 117  12.235   9.028  -2.943
  909   2HB   PHE 117          HB3       PHE 117  12.071   7.935  -4.308
  910    HD1  PHE 117           HD1      PHE 117   9.993   6.884  -4.702
  911    HD2  PHE 117           HD2      PHE 117  10.827   8.465  -0.777
  912    HE1  PHE 117           HE1      PHE 117   7.663   6.416  -4.018
  913    HE2  PHE 117           HE2      PHE 117   8.513   7.959  -0.092
  914    HZ   PHE 117           HZ       PHE 117   6.920   6.925  -1.700
  915    H    ASP 118           H        ASP 118  14.521   6.097  -4.475
  916    HA   ASP 118           HA       ASP 118  17.037   7.539  -4.134
  917   1HB   ASP 118          HB2       ASP 118  16.990   5.368  -5.180
  918   2HB   ASP 118          HB3       ASP 118  15.783   5.895  -6.356
  919    H    LYS 119           H        LYS 119  17.820   9.259  -5.568
  920    HA   LYS 119           HA       LYS 119  16.111  11.409  -5.936
  921   1HB   LYS 119          HB2       LYS 119  17.841  12.489  -7.176
  922   2HB   LYS 119          HB3       LYS 119  18.553  11.605  -5.837
  923   1HG   LYS 119          HG2       LYS 119  19.832  10.371  -7.161
  924   2HG   LYS 119          HG3       LYS 119  18.507   9.908  -8.211
  925   1HD   LYS 119          HD2       LYS 119  19.877  12.622  -8.438
  926   2HD   LYS 119          HD3       LYS 119  20.473  11.176  -9.264
  927   1HE   LYS 119          HE2       LYS 119  18.327  10.882 -10.421
  928   2HE   LYS 119          HE3       LYS 119  17.656  12.302  -9.610
  929   1HZ   LYS 119          HZ1       LYS 119  20.020  12.416 -11.400
  930   2HZ   LYS 119          HZ2       LYS 119  18.500  12.701 -11.901
  931   3HZ   LYS 119          HZ3       LYS 119  19.172  13.698 -10.807
  932    H    THR 120           H        THR 120  16.074   8.682  -7.942
  933    HA   THR 120           HA       THR 120  15.193  10.000 -10.412
  934    HB   THR 120           HB       THR 120  14.425   7.583 -10.859
  935    HG1  THR 120           HG1      THR 120  16.103   6.987  -8.651
  936   1HG2  THR 120          HG21      THR 120  17.364   8.068 -10.261
  937   2HG2  THR 120          HG22      THR 120  16.726   6.686 -11.182
  938   3HG2  THR 120          HG23      THR 120  16.531   8.341 -11.809
  939    H    GLY 121           H        GLY 121  13.785   8.720  -7.497
  940   1HA   GLY 121          HA2       GLY 121  11.495   9.252  -6.840
  941   2HA   GLY 121          HA3       GLY 121  11.000   9.057  -8.540
  942    H    GLN 122           H        GLN 122  13.315   6.664  -7.994
  943    HA   GLN 122           HA       GLN 122  11.324   4.571  -7.969
  944   1HB   GLN 122          HB2       GLN 122  14.356   4.725  -7.734
  945   2HB   GLN 122          HB3       GLN 122  13.488   3.189  -7.559
  946   1HG   GLN 122          HG2       GLN 122  12.531   3.419  -9.804
  947   2HG   GLN 122          HG3       GLN 122  13.266   5.017  -9.990
  948   1HE2  GLN 122          HE22      GLN 122  15.688   5.126  -9.844
  949   2HE2  GLN 122          HE21      GLN 122  16.621   3.783 -10.491
  950    H    LEU 123           H        LEU 123  10.166   4.160  -6.220
  951    HA   LEU 123           HA       LEU 123  10.718   4.683  -3.509
  952   1HB   LEU 123          HB2       LEU 123   8.504   4.146  -4.216
  953   2HB   LEU 123          HB3       LEU 123   8.999   2.548  -4.779
  954    HG   LEU 123           HG       LEU 123   9.419   1.769  -2.573
  955   1HD1  LEU 123          HD11      LEU 123  10.460   3.710  -1.483
  956   2HD1  LEU 123          HD12      LEU 123   8.921   4.578  -1.513
  957   3HD1  LEU 123          HD13      LEU 123   9.132   3.110  -0.521
  958   1HD2  LEU 123          HD21      LEU 123   7.222   1.890  -1.559
  959   2HD2  LEU 123          HD22      LEU 123   6.863   3.404  -2.420
  960   3HD2  LEU 123          HD23      LEU 123   7.031   1.882  -3.313
  961    H    ARG 124           H        ARG 124  12.740   4.143  -2.758
  962    HA   ARG 124           HA       ARG 124  14.060   1.783  -3.774
  963   1HB   ARG 124          HB2       ARG 124  14.992   4.193  -3.250
  964   2HB   ARG 124          HB3       ARG 124  15.090   3.636  -1.585
  965   1HG   ARG 124          HG2       ARG 124  17.222   3.453  -2.705
  966   2HG   ARG 124          HG3       ARG 124  16.638   1.823  -2.315
  967   1HD   ARG 124          HD2       ARG 124  15.935   1.512  -4.664
  968   2HD   ARG 124          HD3       ARG 124  16.400   3.180  -5.051
  969    HE   ARG 124           HE       ARG 124  18.675   1.972  -3.944
  970   1HH1  ARG 124          HH11      ARG 124  16.655   1.525  -6.852
  971   2HH1  ARG 124          HH12      ARG 124  17.895   0.743  -7.757
  972   1HH2  ARG 124          HH21      ARG 124  20.277   0.859  -5.110
  973   2HH2  ARG 124          HH22      ARG 124  20.016   0.382  -6.761
  974    H    HIS 125           H        HIS 125  12.615   2.763  -0.598
  975    HA   HIS 125           HA       HIS 125  12.402  -0.044   0.137
  976   1HB   HIS 125          HB2       HIS 125  14.803   0.732   0.709
  977   2HB   HIS 125          HB3       HIS 125  14.066   1.832   1.867
  978    HD1  HIS 125           HD1      HIS 125  14.605  -1.938   1.241
  979    HD2  HIS 125           HD2      HIS 125  13.122   0.775   4.086
  980    HE1  HIS 125           HE1      HIS 125  14.315  -3.277   3.385
  981    H    PHE 126           H        PHE 126  11.170  -0.226   2.255
  982    HA   PHE 126           HA       PHE 126   9.940   2.209   3.318
  983   1HB   PHE 126          HB2       PHE 126   8.089   1.893   2.067
  984   2HB   PHE 126          HB3       PHE 126   8.492   0.245   1.637
  985    HD1  PHE 126           HD1      PHE 126   6.959   2.330   4.352
  986    HD2  PHE 126           HD2      PHE 126   7.483  -1.628   2.726
  987    HE1  PHE 126           HE1      PHE 126   5.162   1.459   5.854
  988    HE2  PHE 126           HE2      PHE 126   5.743  -2.490   4.271
  989    HZ   PHE 126           HZ       PHE 126   4.585  -0.928   5.841
  990    H    GLN 127           H        GLN 127   9.325   1.940   5.471
  991    HA   GLN 127           HA       GLN 127   9.219  -0.682   6.724
  992   1HB   GLN 127          HB2       GLN 127  11.252   1.441   7.580
  993   2HB   GLN 127          HB3       GLN 127  10.677   0.190   8.674
  994   1HG   GLN 127          HG2       GLN 127  12.193  -0.257   6.098
  995   2HG   GLN 127          HG3       GLN 127  12.835  -0.406   7.713
  996   1HE2  GLN 127          HE22      GLN 127  12.343  -2.370   5.361
  997   2HE2  GLN 127          HE21      GLN 127  11.638  -3.771   6.157
  998    H    ALA 128           H        ALA 128   8.391  -0.343   9.058
  999    HA   ALA 128           HA       ALA 128   7.145   2.249   9.530
 1000   1HB   ALA 128          HB1       ALA 128   4.895   1.244   9.895
 1001   2HB   ALA 128          HB2       ALA 128   5.416   1.029   8.214
 1002   3HB   ALA 128          HB3       ALA 128   5.508  -0.331   9.353
 1003    H    GLY 129           H        GLY 129   6.401   2.466  11.695
 1004   1HA   GLY 129          HA2       GLY 129   6.445   2.212  13.962
 1005   2HA   GLY 129          HA3       GLY 129   6.202   0.491  13.633
 1006    H    GLY 130           H        GLY 130   9.087   2.563  12.982
 1007   1HA   GLY 130          HA2       GLY 130  10.808   0.601  14.423
 1008   2HA   GLY 130          HA3       GLY 130  11.345   1.833  13.273
 1009    H    SER 131           H        SER 131  11.695   1.168  16.366
 1010    HA   SER 131           HA       SER 131  10.672   3.127  17.972
 1011   1HB   SER 131          HB2       SER 131  13.457   1.928  18.201
 1012   2HB   SER 131          HB3       SER 131  12.433   2.535  19.515
 1013    HG   SER 131           HG       SER 131  12.342   0.246  19.307
 1014    H    GLY 132           H        GLY 132  10.672   5.269  17.610
 1015   1HA   GLY 132          HA2       GLY 132  11.315   7.390  17.123
 1016   2HA   GLY 132          HA3       GLY 132  12.858   6.966  17.878
 1017    H    MET 133           H        MET 133  11.664   5.433  14.870
 1018    HA   MET 133           HA       MET 133  12.647   5.156  12.871
 1019   1HB   MET 133          HB2       MET 133  13.533   8.036  12.878
 1020   2HB   MET 133          HB3       MET 133  13.084   7.016  11.520
 1021   1HG   MET 133          HG2       MET 133  10.718   7.007  12.547
 1022   2HG   MET 133          HG3       MET 133  11.294   8.342  13.549
 1023   1HE   MET 133          HE1       MET 133  13.412   9.518  11.048
 1024   2HE   MET 133          HE2       MET 133  12.393  10.889  10.581
 1025   3HE   MET 133          HE3       MET 133  12.622  10.505  12.303
 1026    H    LYS 134           H        LYS 134  14.529   4.855  15.324
 1027    HA   LYS 134           HA       LYS 134  17.048   5.885  14.652
 1028   1HB   LYS 134          HB2       LYS 134  16.441   4.933  16.851
 1029   2HB   LYS 134          HB3       LYS 134  16.326   3.328  16.143
 1030   1HG   LYS 134          HG2       LYS 134  18.334   3.457  17.378
 1031   2HG   LYS 134          HG3       LYS 134  18.783   3.347  15.689
 1032   1HD   LYS 134          HD2       LYS 134  18.669   6.004  17.188
 1033   2HD   LYS 134          HD3       LYS 134  20.077   4.940  17.246
 1034   1HE   LYS 134          HE2       LYS 134  20.255   5.043  14.751
 1035   2HE   LYS 134          HE3       LYS 134  18.938   6.212  14.723
 1036   1HZ   LYS 134          HZ1       LYS 134  21.571   6.606  16.004
 1037   2HZ   LYS 134          HZ2       LYS 134  20.995   7.361  14.664
 1038   3HZ   LYS 134          HZ3       LYS 134  20.328   7.667  16.126
 1039    H    MET 135           H        MET 135  15.503   2.874  13.556
 1040    HA   MET 135           HA       MET 135  17.846   1.848  12.214
 1041   1HB   MET 135          HB2       MET 135  15.795   0.584  13.094
 1042   2HB   MET 135          HB3       MET 135  14.937   1.122  11.661
 1043   1HG   MET 135          HG2       MET 135  17.462  -0.588  11.790
 1044   2HG   MET 135          HG3       MET 135  15.833  -1.171  11.508
 1045   1HE   MET 135          HE1       MET 135  15.005   1.386   9.364
 1046   2HE   MET 135          HE2       MET 135  15.150   0.417   7.884
 1047   3HE   MET 135          HE3       MET 135  14.383  -0.279   9.337
 1048    H    LEU 136           H        LEU 136  15.074   3.902  11.210
 1049    HA   LEU 136           HA       LEU 136  15.385   3.776   8.442
 1050   1HB   LEU 136          HB2       LEU 136  13.515   4.903   9.698
 1051   2HB   LEU 136          HB3       LEU 136  14.637   6.212  10.098
 1052    HG   LEU 136           HG       LEU 136  14.891   6.737   7.669
 1053   1HD1  LEU 136          HD11      LEU 136  12.854   4.512   7.340
 1054   2HD1  LEU 136          HD12      LEU 136  13.168   5.762   6.112
 1055   3HD1  LEU 136          HD13      LEU 136  14.457   4.651   6.584
 1056   1HD2  LEU 136          HD21      LEU 136  12.651   7.728   7.438
 1057   2HD2  LEU 136          HD22      LEU 136  12.106   6.769   8.838
 1058   3HD2  LEU 136          HD23      LEU 136  13.372   7.991   9.024
 1059    H    GLU 137           H        GLU 137  17.183   5.764  10.792
 1060    HA   GLU 137           HA       GLU 137  18.613   7.388   8.973
 1061   1HB   GLU 137          HB2       GLU 137  18.524   7.651  11.440
 1062   2HB   GLU 137          HB3       GLU 137  19.556   6.225  11.629
 1063   1HG   GLU 137          HG2       GLU 137  21.424   7.331  10.579
 1064   2HG   GLU 137          HG3       GLU 137  20.391   8.638   9.985
 1065    H    LYS 138           H        LYS 138  19.063   3.941   9.706
 1066    HA   LYS 138           HA       LYS 138  21.710   3.757   8.512
 1067   1HB   LYS 138          HB2       LYS 138  19.664   1.517   8.802
 1068   2HB   LYS 138          HB3       LYS 138  21.393   1.361   8.589
 1069   1HG   LYS 138          HG2       LYS 138  19.936   2.408  11.052
 1070   2HG   LYS 138          HG3       LYS 138  20.712   0.849  10.886
 1071   1HD   LYS 138          HD2       LYS 138  22.104   3.562  10.886
 1072   2HD   LYS 138          HD3       LYS 138  22.040   2.447  12.237
 1073   1HE   LYS 138          HE2       LYS 138  23.370   1.840   9.552
 1074   2HE   LYS 138          HE3       LYS 138  24.213   2.432  10.983
 1075   1HZ   LYS 138          HZ1       LYS 138  24.399   0.050  10.811
 1076   2HZ   LYS 138          HZ2       LYS 138  23.553   0.415  12.151
 1077   3HZ   LYS 138          HZ3       LYS 138  22.784  -0.160  10.825
 1078    H    ARG 139           H        ARG 139  18.313   3.101   7.490
 1079    HA   ARG 139           HA       ARG 139  19.044   2.274   4.906
 1080   1HB   ARG 139          HB2       ARG 139  16.816   1.909   6.145
 1081   2HB   ARG 139          HB3       ARG 139  16.391   3.549   5.661
 1082   1HG   ARG 139          HG2       ARG 139  15.430   2.090   4.039
 1083   2HG   ARG 139          HG3       ARG 139  16.787   2.883   3.254
 1084   1HD   ARG 139          HD2       ARG 139  16.864   0.601   2.584
 1085   2HD   ARG 139          HD3       ARG 139  18.181   0.774   3.725
 1086    HE   ARG 139           HE       ARG 139  15.563  -0.584   4.109
 1087   1HH1  ARG 139          HH21      ARG 139  18.828  -0.110   5.449
 1088   2HH1  ARG 139          HH22      ARG 139  18.552  -1.164   6.783
 1089   1HH2  ARG 139          HH11      ARG 139  15.218  -1.940   5.804
 1090   2HH2  ARG 139          HH12      ARG 139  16.460  -2.291   6.961
 1091    H    VAL 140           H        VAL 140  17.925   5.520   5.999
 1092    HA   VAL 140           HA       VAL 140  18.116   6.741   3.471
 1093    HB   VAL 140           HB       VAL 140  18.127   7.623   6.356
 1094   1HG1  VAL 140          HG11      VAL 140  18.419   9.570   4.047
 1095   2HG1  VAL 140          HG12      VAL 140  18.059   9.963   5.756
 1096   3HG1  VAL 140          HG13      VAL 140  19.613   9.274   5.336
 1097   1HG2  VAL 140          HG21      VAL 140  16.026   6.890   5.258
 1098   2HG2  VAL 140          HG22      VAL 140  15.948   8.618   5.608
 1099   3HG2  VAL 140          HG23      VAL 140  16.275   8.080   3.961
 1100    H    ASN 141           H        ASN 141  20.737   6.334   6.004
 1101    HA   ASN 141           HA       ASN 141  22.459   7.961   4.358
 1102   1HB   ASN 141          HB2       ASN 141  24.047   7.896   5.905
 1103   2HB   ASN 141          HB3       ASN 141  22.655   7.546   6.920
 1104   1HD2  ASN 141          HD22      ASN 141  22.518   5.594   7.914
 1105   2HD2  ASN 141          HD21      ASN 141  23.834   4.410   7.927
 1106    H    ARG 142           H        ARG 142  21.721   4.497   4.474
 1107    HA   ARG 142           HA       ARG 142  23.820   3.729   2.690
 1108   1HB   ARG 142          HB2       ARG 142  22.144   2.279   4.108
 1109   2HB   ARG 142          HB3       ARG 142  21.096   2.368   2.690
 1110   1HG   ARG 142          HG2       ARG 142  24.015   1.509   2.626
 1111   2HG   ARG 142          HG3       ARG 142  22.709   0.376   2.940
 1112   1HD   ARG 142          HD2       ARG 142  21.857   0.482   0.757
 1113   2HD   ARG 142          HD3       ARG 142  22.615   2.015   0.392
 1114    HE   ARG 142           HE       ARG 142  23.905  -0.632   0.400
 1115   1HH1  ARG 142          HH21      ARG 142  24.222   2.877  -0.164
 1116   2HH1  ARG 142          HH22      ARG 142  25.694   2.739  -1.059
 1117   1HH2  ARG 142          HH11      ARG 142  25.887  -0.801  -0.758
 1118   2HH2  ARG 142          HH12      ARG 142  26.676   0.604  -1.363
 1119    H    VAL 143           H        VAL 143  20.441   4.897   2.044
 1120    HA   VAL 143           HA       VAL 143  20.742   4.718  -0.792
 1121    HB   VAL 143           HB       VAL 143  18.848   6.322   0.947
 1122   1HG1  VAL 143          HG11      VAL 143  18.739   5.889  -2.073
 1123   2HG1  VAL 143          HG12      VAL 143  17.424   6.563  -1.082
 1124   3HG1  VAL 143          HG13      VAL 143  18.945   7.445  -1.240
 1125   1HG2  VAL 143          HG21      VAL 143  18.606   3.852   1.096
 1126   2HG2  VAL 143          HG22      VAL 143  17.238   4.546   0.227
 1127   3HG2  VAL 143          HG23      VAL 143  18.542   3.742  -0.666
 1128    H    LEU 144           H        LEU 144  21.564   7.382   1.504
 1129    HA   LEU 144           HA       LEU 144  22.428   9.223  -0.519
 1130   1HB   LEU 144          HB2       LEU 144  23.543   8.730   2.278
 1131   2HB   LEU 144          HB3       LEU 144  24.061  10.040   1.228
 1132    HG   LEU 144           HG       LEU 144  21.214   9.657   2.212
 1133   1HD1  LEU 144          HD11      LEU 144  23.351  11.630   3.125
 1134   2HD1  LEU 144          HD12      LEU 144  21.674  11.547   3.717
 1135   3HD1  LEU 144          HD13      LEU 144  22.796  10.218   4.043
 1136   1HD2  LEU 144          HD21      LEU 144  21.189  10.871   0.129
 1137   2HD2  LEU 144          HD22      LEU 144  20.928  12.020   1.435
 1138   3HD2  LEU 144          HD23      LEU 144  22.527  11.905   0.652
 1139    H    ALA 145           H        ALA 145  24.199   6.592   1.169
 1140    HA   ALA 145           HA       ALA 145  26.505   6.772  -0.513
 1141   1HB   ALA 145          HB1       ALA 145  26.552   5.818   1.753
 1142   2HB   ALA 145          HB2       ALA 145  25.543   4.460   1.218
 1143   3HB   ALA 145          HB3       ALA 145  27.173   4.673   0.554
 1144    H    GLU 146           H        GLU 146  23.470   5.949  -1.646
 1145    HA   GLU 146           HA       GLU 146  24.575   4.040  -3.654
 1146   1HB   GLU 146          HB2       GLU 146  21.680   4.806  -3.076
 1147   2HB   GLU 146          HB3       GLU 146  22.233   3.855  -4.443
 1148   1HG   GLU 146          HG2       GLU 146  23.264   2.237  -2.729
 1149   2HG   GLU 146          HG3       GLU 146  22.241   3.060  -1.541
 1150    H    THR 147           H        THR 147  24.048   7.323  -2.949
 1151    HA   THR 147           HA       THR 147  23.658   8.120  -5.758
 1152    HB   THR 147           HB       THR 147  22.656   9.486  -3.210
 1153    HG1  THR 147           HG1      THR 147  21.555   7.630  -3.206
 1154   1HG2  THR 147          HG21      THR 147  22.601  11.020  -4.991
 1155   2HG2  THR 147          HG22      THR 147  22.013   9.802  -6.148
 1156   3HG2  THR 147          HG23      THR 147  20.941  10.414  -4.860
 1157    H    GLU 148           H        GLU 148  25.813   8.054  -3.478
 1158    HA   GLU 148           HA       GLU 148  27.456  10.328  -4.390
 1159   1HB   GLU 148          HB2       GLU 148  26.188  11.109  -2.386
 1160   2HB   GLU 148          HB3       GLU 148  26.770   9.722  -1.462
 1161   1HG   GLU 148          HG2       GLU 148  29.094  10.469  -1.728
 1162   2HG   GLU 148          HG3       GLU 148  28.576  11.804  -2.758
  Start of MODEL   10
    1   1H    MET   1           H1       MET   1   1.643  -2.371  -4.933
    2   2H    MET   1           H2       MET   1   1.069  -1.327  -3.819
    3   3H    MET   1           H3       MET   1   0.781  -1.065  -5.414
    4    HA   MET   1           HA       MET   1   3.157  -0.744  -5.817
    5   1HB   MET   1          HB2       MET   1   1.619   1.083  -4.010
    6   2HB   MET   1          HB3       MET   1   3.366   1.334  -4.158
    7   1HG   MET   1          HG2       MET   1   3.293   1.615  -6.494
    8   2HG   MET   1          HG3       MET   1   1.677   0.944  -6.630
    9   1HE   MET   1          HE1       MET   1   3.605   4.244  -5.203
   10   2HE   MET   1          HE2       MET   1   2.167   5.112  -4.627
   11   3HE   MET   1          HE3       MET   1   2.625   3.590  -3.863
   12    H    LYS   2           H        LYS   2   5.173  -0.964  -5.307
   13    HA   LYS   2           HA       LYS   2   6.116  -1.753  -2.650
   14   1HB   LYS   2          HB2       LYS   2   6.752  -3.926  -3.271
   15   2HB   LYS   2          HB3       LYS   2   5.005  -3.733  -3.500
   16   1HG   LYS   2          HG2       LYS   2   5.357  -3.491  -5.958
   17   2HG   LYS   2          HG3       LYS   2   7.107  -3.713  -5.724
   18   1HD   LYS   2          HD2       LYS   2   6.689  -5.903  -4.662
   19   2HD   LYS   2          HD3       LYS   2   4.945  -5.694  -4.915
   20   1HE   LYS   2          HE2       LYS   2   5.317  -5.585  -7.380
   21   2HE   LYS   2          HE3       LYS   2   7.055  -5.788  -7.128
   22   1HZ   LYS   2          HZ1       LYS   2   5.994  -7.875  -7.703
   23   2HZ   LYS   2          HZ2       LYS   2   6.597  -7.982  -6.195
   24   3HZ   LYS   2          HZ3       LYS   2   4.989  -7.794  -6.426
   25    H    LEU   3           H        LEU   3   8.413  -2.157  -2.773
   26    HA   LEU   3           HA       LEU   3  10.133  -0.412  -3.523
   27   1HB   LEU   3          HB2       LEU   3  10.691  -3.353  -4.003
   28   2HB   LEU   3          HB3       LEU   3  11.918  -2.106  -3.798
   29    HG   LEU   3           HG       LEU   3   9.872  -2.924  -1.689
   30   1HD1  LEU   3          HD11      LEU   3  12.865  -3.494  -1.874
   31   2HD1  LEU   3          HD12      LEU   3  11.789  -3.954  -0.534
   32   3HD1  LEU   3          HD13      LEU   3  11.561  -4.673  -2.134
   33   1HD2  LEU   3          HD21      LEU   3  12.241  -1.008  -1.507
   34   2HD2  LEU   3          HD22      LEU   3  10.516  -0.587  -1.337
   35   3HD2  LEU   3          HD23      LEU   3  11.290  -1.603  -0.127
   36    H    ARG   4           H        ARG   4  11.206   0.532  -5.066
   37    HA   ARG   4           HA       ARG   4  11.565   1.523  -6.955
   38   1HB   ARG   4          HB2       ARG   4  11.402  -1.166  -8.345
   39   2HB   ARG   4          HB3       ARG   4  12.110   0.320  -8.973
   40   1HG   ARG   4          HG2       ARG   4  13.686   0.309  -6.947
   41   2HG   ARG   4          HG3       ARG   4  13.088  -1.322  -6.610
   42   1HD   ARG   4          HD2       ARG   4  15.121  -1.561  -7.850
   43   2HD   ARG   4          HD3       ARG   4  13.790  -1.992  -8.938
   44    HE   ARG   4           HE       ARG   4  14.613   0.823  -9.074
   45   1HH1  ARG   4          HH21      ARG   4  15.315  -2.406 -10.396
   46   2HH1  ARG   4          HH22      ARG   4  16.020  -1.791 -11.846
   47   1HH2  ARG   4          HH11      ARG   4  15.505   1.614 -10.899
   48   2HH2  ARG   4          HH12      ARG   4  16.140   0.590 -12.160
   49    H    GLN   5           H        GLN   5   8.583   1.085  -6.108
   50    HA   GLN   5           HA       GLN   5   7.277   1.569  -8.698
   51   1HB   GLN   5          HB2       GLN   5   5.394   2.468  -7.208
   52   2HB   GLN   5          HB3       GLN   5   5.775   0.742  -7.132
   53   1HG   GLN   5          HG2       GLN   5   5.590   1.129  -4.932
   54   2HG   GLN   5          HG3       GLN   5   7.262   1.550  -5.039
   55   1HE2  GLN   5          HE22      GLN   5   5.713   2.351  -3.049
   56   2HE2  GLN   5          HE21      GLN   5   5.407   4.095  -3.102
   57    HA   PRO   6           HA       PRO   6   8.285   5.903  -8.520
   58   1HB   PRO   6          HB2       PRO   6   6.682   6.978 -10.352
   59   2HB   PRO   6          HB3       PRO   6   7.865   5.687 -10.751
   60   1HG   PRO   6          HG2       PRO   6   4.866   5.417 -10.366
   61   2HG   PRO   6          HG3       PRO   6   5.912   4.638 -11.588
   62   1HD   PRO   6          HD2       PRO   6   5.121   3.557  -9.055
   63   2HD   PRO   6          HD3       PRO   6   6.401   2.910 -10.135
   64    H    MET   7           H        MET   7   7.921   7.153  -6.876
   65    HA   MET   7           HA       MET   7   5.910   7.766  -5.189
   66   1HB   MET   7          HB2       MET   7   8.173   8.740  -5.233
   67   2HB   MET   7          HB3       MET   7   7.705   9.794  -6.573
   68   1HG   MET   7          HG2       MET   7   5.902  10.748  -5.075
   69   2HG   MET   7          HG3       MET   7   6.584   9.807  -3.748
   70   1HE   MET   7          HE1       MET   7   9.146  10.190  -2.873
   71   2HE   MET   7          HE2       MET   7   9.778  10.100  -4.533
   72   3HE   MET   7          HE3       MET   7  10.205  11.476  -3.508
   73    HA   PRO   8           HA       PRO   8   2.921   9.309  -8.240
   74   1HB   PRO   8          HB2       PRO   8   0.670   8.386  -7.199
   75   2HB   PRO   8          HB3       PRO   8   2.033   7.252  -7.335
   76   1HG   PRO   8          HG2       PRO   8   1.342   8.972  -4.911
   77   2HG   PRO   8          HG3       PRO   8   1.403   7.186  -4.967
   78   1HD   PRO   8          HD2       PRO   8   3.649   8.666  -4.294
   79   2HD   PRO   8          HD3       PRO   8   3.768   7.147  -5.237
   80    H    GLU   9           H        GLU   9   0.361  10.013  -7.021
   81    HA   GLU   9           HA       GLU   9   0.320  12.767  -7.312
   82   1HB   GLU   9          HB2       GLU   9  -2.061  12.353  -7.121
   83   2HB   GLU   9          HB3       GLU   9  -1.220  11.131  -8.095
   84   1HG   GLU   9          HG2       GLU   9  -1.323   9.546  -6.141
   85   2HG   GLU   9          HG3       GLU   9  -2.384  10.682  -5.331
   86    H    LEU  10           H        LEU  10   1.961  12.949  -5.305
   87    HA   LEU  10           HA       LEU  10   0.801  13.379  -2.679
   88   1HB   LEU  10          HB2       LEU  10   3.227  14.574  -4.075
   89   2HB   LEU  10          HB3       LEU  10   2.675  15.111  -2.497
   90    HG   LEU  10           HG       LEU  10   2.926  12.762  -1.627
   91   1HD1  LEU  10          HD11      LEU  10   4.451  12.351  -4.241
   92   2HD1  LEU  10          HD12      LEU  10   4.497  11.259  -2.838
   93   3HD1  LEU  10          HD13      LEU  10   3.001  11.462  -3.745
   94   1HD2  LEU  10          HD21      LEU  10   4.570  14.554  -1.203
   95   2HD2  LEU  10          HD22      LEU  10   5.375  12.991  -1.372
   96   3HD2  LEU  10          HD23      LEU  10   5.416  14.152  -2.714
   97    H    THR  11           H        THR  11  -1.165  14.535  -2.582
   98    HA   THR  11           HA       THR  11  -1.020  17.345  -2.969
   99    HB   THR  11           HB       THR  11  -1.303  16.603  -5.375
  100    HG1  THR  11           HG1      THR  11  -1.980  18.602  -4.923
  101   1HG2  THR  11          HG21      THR  11  -2.783  14.632  -5.026
  102   2HG2  THR  11          HG22      THR  11  -4.098  15.724  -4.551
  103   3HG2  THR  11          HG23      THR  11  -3.423  15.793  -6.193
  104    H    GLY  12           H        GLY  12  -2.944  18.383  -2.067
  105   1HA   GLY  12          HA2       GLY  12  -5.195  16.969  -1.068
  106   2HA   GLY  12          HA3       GLY  12  -3.956  17.143   0.196
  107    H    GLU  13           H        GLU  13  -6.373  18.356   0.570
  108    HA   GLU  13           HA       GLU  13  -5.818  21.270   0.152
  109   1HB   GLU  13          HB2       GLU  13  -7.380  20.160  -1.477
  110   2HB   GLU  13          HB3       GLU  13  -8.459  19.776  -0.136
  111   1HG   GLU  13          HG2       GLU  13  -8.832  22.170   0.285
  112   2HG   GLU  13          HG3       GLU  13  -7.604  22.602  -0.911
  113    H    LYS  14           H        LYS  14  -6.730  18.836   2.503
  114    HA   LYS  14           HA       LYS  14  -8.533  20.406   4.078
  115   1HB   LYS  14          HB2       LYS  14  -8.400  17.981   4.212
  116   2HB   LYS  14          HB3       LYS  14  -6.774  18.087   4.920
  117   1HG   LYS  14          HG2       LYS  14  -7.619  19.134   6.922
  118   2HG   LYS  14          HG3       LYS  14  -9.252  19.273   6.220
  119   1HD   LYS  14          HD2       LYS  14  -9.503  16.840   6.178
  120   2HD   LYS  14          HD3       LYS  14  -7.804  16.618   6.590
  121   1HE   LYS  14          HE2       LYS  14  -8.929  16.217   8.597
  122   2HE   LYS  14          HE3       LYS  14  -8.223  17.825   8.766
  123   1HZ   LYS  14          HZ1       LYS  14 -11.065  17.290   8.078
  124   2HZ   LYS  14          HZ2       LYS  14 -10.504  17.663   9.569
  125   3HZ   LYS  14          HZ3       LYS  14 -10.417  18.769   8.356
  126    H    ALA  15           H        ALA  15  -4.968  19.899   4.407
  127    HA   ALA  15           HA       ALA  15  -4.638  22.567   5.457
  128   1HB   ALA  15          HB1       ALA  15  -4.046  20.188   7.327
  129   2HB   ALA  15          HB2       ALA  15  -3.578  21.863   7.631
  130   3HB   ALA  15          HB3       ALA  15  -5.289  21.433   7.584
  131    H    TRP  16           H        TRP  16  -2.304  23.048   5.659
  132    HA   TRP  16           HA       TRP  16  -0.443  20.932   5.103
  133   1HB   TRP  16          HB2       TRP  16   0.794  22.077   3.347
  134   2HB   TRP  16          HB3       TRP  16  -0.774  21.517   2.806
  135    HD1  TRP  16           HD1      TRP  16  -2.269  23.212   1.629
  136    HE1  TRP  16           HE1      TRP  16  -2.040  25.639   0.910
  137    HE3  TRP  16           HE3      TRP  16   1.852  24.480   4.397
  138    HZ2  TRP  16           HZ2      TRP  16  -0.319  27.907   1.512
  139    HZ3  TRP  16           HZ3      TRP  16   2.775  26.777   4.290
  140    HH2  TRP  16           HH2      TRP  16   1.701  28.497   2.851
  141    H    LEU  17           H        LEU  17   1.570  21.438   5.844
  142    HA   LEU  17           HA       LEU  17   1.712  23.876   7.582
  143   1HB   LEU  17          HB2       LEU  17   0.743  21.863   8.764
  144   2HB   LEU  17          HB3       LEU  17   2.258  21.018   8.461
  145    HG   LEU  17           HG       LEU  17   3.475  22.753   9.811
  146   1HD1  LEU  17          HD11      LEU  17   2.061  24.194  11.327
  147   2HD1  LEU  17          HD12      LEU  17   1.972  24.687   9.636
  148   3HD1  LEU  17          HD13      LEU  17   0.641  23.754  10.350
  149   1HD2  LEU  17          HD21      LEU  17   1.157  21.255  11.102
  150   2HD2  LEU  17          HD22      LEU  17   2.804  20.665  10.831
  151   3HD2  LEU  17          HD23      LEU  17   2.528  21.984  11.985
  152    H    ASN  18           H        ASN  18   3.667  24.722   7.835
  153    HA   ASN  18           HA       ASN  18   5.816  25.268   7.660
  154   1HB   ASN  18          HB2       ASN  18   6.479  22.438   6.849
  155   2HB   ASN  18          HB3       ASN  18   7.623  23.702   7.236
  156   1HD2  ASN  18          HD22      ASN  18   6.521  20.988   8.495
  157   2HD2  ASN  18          HD21      ASN  18   6.616  21.384  10.212
  158    H    GLY  19           H        GLY  19   4.254  23.529   5.042
  159   1HA   GLY  19          HA2       GLY  19   4.626  25.408   3.028
  160   2HA   GLY  19          HA3       GLY  19   6.001  24.287   2.918
  161    H    GLU  20           H        GLU  20   4.659  24.014   0.779
  162    HA   GLU  20           HA       GLU  20   3.176  21.493   1.007
  163   1HB   GLU  20          HB2       GLU  20   1.466  23.332   0.890
  164   2HB   GLU  20          HB3       GLU  20   2.277  23.996  -0.529
  165   1HG   GLU  20          HG2       GLU  20   1.801  21.824  -1.725
  166   2HG   GLU  20          HG3       GLU  20   0.890  21.300  -0.302
  167    H    VAL  21           H        VAL  21   3.761  20.191  -0.878
  168    HA   VAL  21           HA       VAL  21   5.581  21.322  -2.860
  169    HB   VAL  21           HB       VAL  21   6.862  21.004  -0.681
  170   1HG1  VAL  21          HG11      VAL  21   5.817  18.894   0.072
  171   2HG1  VAL  21          HG12      VAL  21   6.595  18.039  -1.275
  172   3HG1  VAL  21          HG13      VAL  21   7.582  18.794  -0.009
  173   1HG2  VAL  21          HG21      VAL  21   8.856  20.136  -1.701
  174   2HG2  VAL  21          HG22      VAL  21   7.931  19.424  -3.030
  175   3HG2  VAL  21          HG23      VAL  21   7.999  21.190  -2.835
  176    H    THR  22           H        THR  22   6.402  19.443  -4.303
  177    HA   THR  22           HA       THR  22   4.423  17.241  -4.609
  178    HB   THR  22           HB       THR  22   4.731  17.747  -7.108
  179    HG1  THR  22           HG1      THR  22   5.303  19.821  -7.631
  180   1HG2  THR  22          HG21      THR  22   2.661  18.142  -5.862
  181   2HG2  THR  22          HG22      THR  22   3.232  19.774  -5.426
  182   3HG2  THR  22          HG23      THR  22   2.927  19.352  -7.137
  183    H    ARG  23           H        ARG  23   5.263  15.481  -5.922
  184    HA   ARG  23           HA       ARG  23   7.889  14.684  -5.427
  185   1HB   ARG  23          HB2       ARG  23   7.634  13.054  -7.149
  186   2HB   ARG  23          HB3       ARG  23   6.132  13.184  -6.244
  187   1HG   ARG  23          HG2       ARG  23   5.145  14.536  -8.109
  188   2HG   ARG  23          HG3       ARG  23   6.658  14.329  -9.024
  189   1HD   ARG  23          HD2       ARG  23   6.378  11.879  -8.957
  190   2HD   ARG  23          HD3       ARG  23   4.861  12.077  -8.058
  191    HE   ARG  23           HE       ARG  23   4.647  13.623 -10.398
  192   1HH1  ARG  23          HH21      ARG  23   4.902  10.187  -9.528
  193   2HH1  ARG  23          HH22      ARG  23   4.111   9.628 -10.966
  194   1HH2  ARG  23          HH11      ARG  23   3.557  12.880 -12.280
  195   2HH2  ARG  23          HH12      ARG  23   3.302  11.199 -12.540
  196    H    GLU  24           H        GLU  24   6.652  16.783  -8.101
  197    HA   GLU  24           HA       GLU  24   9.227  16.529  -9.433
  198   1HB   GLU  24          HB2       GLU  24   8.327  18.150 -11.053
  199   2HB   GLU  24          HB3       GLU  24   7.150  16.885 -10.702
  200   1HG   GLU  24          HG2       GLU  24   5.924  18.402  -9.191
  201   2HG   GLU  24          HG3       GLU  24   7.115  19.674  -9.458
  202    H    GLN  25           H        GLN  25   8.325  18.439  -6.761
  203    HA   GLN  25           HA       GLN  25  10.529  20.402  -7.226
  204   1HB   GLN  25          HB2       GLN  25   8.305  20.207  -5.162
  205   2HB   GLN  25          HB3       GLN  25   9.622  21.384  -5.077
  206   1HG   GLN  25          HG2       GLN  25   8.924  22.361  -7.225
  207   2HG   GLN  25          HG3       GLN  25   7.631  21.170  -7.379
  208   1HE2  GLN  25          HE22      GLN  25   5.790  21.282  -5.925
  209   2HE2  GLN  25          HE21      GLN  25   5.431  22.767  -5.055
  210    H    LEU  26           H        LEU  26   9.562  17.537  -5.412
  211    HA   LEU  26           HA       LEU  26  11.645  17.630  -3.385
  212   1HB   LEU  26          HB2       LEU  26   9.594  15.635  -4.417
  213   2HB   LEU  26          HB3       LEU  26  10.806  15.141  -3.236
  214    HG   LEU  26           HG       LEU  26   8.855  17.431  -2.807
  215   1HD1  LEU  26          HD11      LEU  26   7.500  15.886  -1.499
  216   2HD1  LEU  26          HD12      LEU  26   7.657  15.295  -3.156
  217   3HD1  LEU  26          HD13      LEU  26   8.610  14.548  -1.865
  218   1HD2  LEU  26          HD21      LEU  26   9.383  17.096  -0.411
  219   2HD2  LEU  26          HD22      LEU  26  10.586  15.869  -0.856
  220   3HD2  LEU  26          HD23      LEU  26  10.803  17.571  -1.341
  221    H    ILE  27           H        ILE  27  11.034  15.522  -6.249
  222    HA   ILE  27           HA       ILE  27  13.822  14.582  -6.119
  223    HB   ILE  27           HB       ILE  27  12.920  13.135  -8.087
  224   1HG1  ILE  27          HG12      ILE  27  10.257  13.624  -6.743
  225   2HG1  ILE  27          HG13      ILE  27  10.746  14.297  -8.329
  226   1HG2  ILE  27          HG21      ILE  27  12.037  12.723  -5.194
  227   2HG2  ILE  27          HG22      ILE  27  12.261  11.433  -6.390
  228   3HG2  ILE  27          HG23      ILE  27  13.654  12.364  -5.851
  229   1HD1  ILE  27          HD11      ILE  27   9.407  12.406  -8.776
  230   2HD1  ILE  27          HD12      ILE  27  11.077  11.893  -9.094
  231   3HD1  ILE  27          HD13      ILE  27  10.250  11.423  -7.577
  232    H    GLY  28           H        GLY  28  14.806  14.085  -8.290
  233   1HA   GLY  28          HA2       GLY  28  15.076  14.842 -10.584
  234   2HA   GLY  28          HA3       GLY  28  14.795  16.505 -10.036
  235    H    GLU  29           H        GLU  29  16.474  15.383  -7.500
  236    HA   GLU  29           HA       GLU  29  19.194  15.777  -8.642
  237   1HB   GLU  29          HB2       GLU  29  17.948  17.981  -8.347
  238   2HB   GLU  29          HB3       GLU  29  17.837  17.626  -6.630
  239   1HG   GLU  29          HG2       GLU  29  20.399  17.534  -6.590
  240   2HG   GLU  29          HG3       GLU  29  20.384  18.055  -8.272
  241    H    LYS  30           H        LYS  30  17.226  15.469  -5.613
  242    HA   LYS  30           HA       LYS  30  19.427  13.875  -4.389
  243   1HB   LYS  30          HB2       LYS  30  17.773  16.171  -3.247
  244   2HB   LYS  30          HB3       LYS  30  18.661  15.047  -2.218
  245   1HG   LYS  30          HG2       LYS  30  20.778  15.736  -3.145
  246   2HG   LYS  30          HG3       LYS  30  19.968  16.687  -4.413
  247   1HD   LYS  30          HD2       LYS  30  19.068  18.249  -2.797
  248   2HD   LYS  30          HD3       LYS  30  19.624  17.259  -1.445
  249   1HE   LYS  30          HE2       LYS  30  21.046  19.220  -1.761
  250   2HE   LYS  30          HE3       LYS  30  21.947  17.720  -1.950
  251   1HZ   LYS  30          HZ1       LYS  30  22.431  19.457  -3.640
  252   2HZ   LYS  30          HZ2       LYS  30  21.986  18.039  -4.300
  253   3HZ   LYS  30          HZ3       LYS  30  20.923  19.288  -4.267
  254    HA   PRO  31           HA       PRO  31  16.144  10.998  -3.519
  255   1HB   PRO  31          HB2       PRO  31  16.944   9.914  -1.099
  256   2HB   PRO  31          HB3       PRO  31  17.651   9.498  -2.688
  257   1HG   PRO  31          HG2       PRO  31  18.690  11.458  -0.636
  258   2HG   PRO  31          HG3       PRO  31  19.588  10.208  -1.563
  259   1HD   PRO  31          HD2       PRO  31  19.582  12.820  -2.324
  260   2HD   PRO  31          HD3       PRO  31  19.546  11.512  -3.533
  261    H    THR  32           H        THR  32  14.527  10.435  -1.821
  262    HA   THR  32           HA       THR  32  13.742  12.831  -0.239
  263    HB   THR  32           HB       THR  32  12.080  11.390  -2.330
  264    HG1  THR  32           HG1      THR  32  13.501  12.898  -3.193
  265   1HG2  THR  32          HG21      THR  32  10.539  12.026  -0.572
  266   2HG2  THR  32          HG22      THR  32  11.295  13.631  -0.419
  267   3HG2  THR  32          HG23      THR  32  10.392  13.189  -1.887
  268    H    LEU  33           H        LEU  33  12.339  12.417   1.473
  269    HA   LEU  33           HA       LEU  33  11.770   9.588   2.210
  270   1HB   LEU  33          HB2       LEU  33  13.654  10.339   3.503
  271   2HB   LEU  33          HB3       LEU  33  12.907  11.914   3.812
  272    HG   LEU  33           HG       LEU  33  11.299  10.959   5.322
  273   1HD1  LEU  33          HD11      LEU  33  12.469   8.188   4.793
  274   2HD1  LEU  33          HD12      LEU  33  11.180   8.623   5.948
  275   3HD1  LEU  33          HD13      LEU  33  10.877   8.735   4.241
  276   1HD2  LEU  33          HD21      LEU  33  13.500  11.485   6.231
  277   2HD2  LEU  33          HD22      LEU  33  12.865  10.051   7.051
  278   3HD2  LEU  33          HD23      LEU  33  14.095   9.864   5.803
  279    H    ILE  34           H        ILE  34   9.622   9.306   2.552
  280    HA   ILE  34           HA       ILE  34   7.918  11.670   3.186
  281    HB   ILE  34           HB       ILE  34   7.037   9.050   1.920
  282   1HG1  ILE  34          HG12      ILE  34   7.602  11.704   0.527
  283   2HG1  ILE  34          HG13      ILE  34   8.479  10.201   0.304
  284   1HG2  ILE  34          HG21      ILE  34   5.305  10.276   3.235
  285   2HG2  ILE  34          HG22      ILE  34   5.573  11.716   2.230
  286   3HG2  ILE  34          HG23      ILE  34   4.910  10.222   1.535
  287   1HD1  ILE  34          HD11      ILE  34   7.035  10.438  -1.555
  288   2HD1  ILE  34          HD12      ILE  34   6.349   9.148  -0.545
  289   3HD1  ILE  34          HD13      ILE  34   5.625  10.772  -0.541
  290    H    HIS  35           H        HIS  35   6.814  11.495   5.148
  291    HA   HIS  35           HA       HIS  35   6.886   8.861   6.556
  292   1HB   HIS  35          HB2       HIS  35   6.426  11.500   7.949
  293   2HB   HIS  35          HB3       HIS  35   6.801   9.939   8.657
  294    HD1  HIS  35           HD1      HIS  35   9.456   9.417   8.923
  295    HD2  HIS  35           HD2      HIS  35   8.377  12.936   6.894
  296    HE1  HIS  35           HE1      HIS  35  11.581  10.781   8.689
  297    H    PHE  36           H        PHE  36   4.932   8.185   7.490
  298    HA   PHE  36           HA       PHE  36   2.407   9.622   6.772
  299   1HB   PHE  36          HB2       PHE  36   2.987   6.630   6.794
  300   2HB   PHE  36          HB3       PHE  36   1.426   7.372   6.524
  301    HD1  PHE  36           HD1      PHE  36   0.712   7.794   4.307
  302    HD2  PHE  36           HD2      PHE  36   4.914   7.195   5.078
  303    HE1  PHE  36           HE1      PHE  36   1.148   7.680   1.873
  304    HE2  PHE  36           HE2      PHE  36   5.349   7.171   2.639
  305    HZ   PHE  36           HZ       PHE  36   3.474   7.368   1.033
  306    H    TRP  37           H        TRP  37   1.448  10.178   8.822
  307    HA   TRP  37           HA       TRP  37   1.937   8.384  11.137
  308   1HB   TRP  37          HB2       TRP  37   2.980  10.189  12.435
  309   2HB   TRP  37          HB3       TRP  37   3.954   9.744  11.048
  310    HD1  TRP  37           HD1      TRP  37   3.554  11.423   8.826
  311    HE1  TRP  37           HE1      TRP  37   3.171  13.963   8.716
  312    HE3  TRP  37           HE3      TRP  37   2.656  12.302  13.770
  313    HZ2  TRP  37           HZ2      TRP  37   2.528  16.113  10.573
  314    HZ3  TRP  37           HZ3      TRP  37   2.407  14.616  14.596
  315    HH2  TRP  37           HH2      TRP  37   2.198  16.509  13.008
  316    H    SER  38           H        SER  38   0.894   9.251  13.141
  317    HA   SER  38           HA       SER  38  -1.545  10.865  12.718
  318   1HB   SER  38          HB2       SER  38  -1.422   7.955  13.607
  319   2HB   SER  38          HB3       SER  38  -2.837   8.988  13.823
  320    HG   SER  38           HG       SER  38  -2.869   9.287  11.528
  321    H    ILE  39           H        ILE  39  -1.514  12.277  14.421
  322    HA   ILE  39           HA       ILE  39   0.172  12.015  16.676
  323    HB   ILE  39           HB       ILE  39  -1.113  13.883  17.630
  324   1HG1  ILE  39          HG12      ILE  39  -2.902  13.767  15.166
  325   2HG1  ILE  39          HG13      ILE  39  -3.393  13.318  16.801
  326   1HG2  ILE  39          HG21      ILE  39  -0.397  15.500  15.903
  327   2HG2  ILE  39          HG22      ILE  39   0.774  14.195  16.111
  328   3HG2  ILE  39          HG23      ILE  39  -0.301  14.209  14.712
  329   1HD1  ILE  39          HD11      ILE  39  -2.521  16.087  15.910
  330   2HD1  ILE  39          HD12      ILE  39  -4.137  15.552  16.356
  331   3HD1  ILE  39          HD13      ILE  39  -2.871  15.605  17.594
  332    H    SER  40           H        SER  40  -2.911  10.452  16.135
  333    HA   SER  40           HA       SER  40  -3.632  10.093  18.836
  334   1HB   SER  40          HB2       SER  40  -4.897   8.099  17.967
  335   2HB   SER  40          HB3       SER  40  -5.200   9.619  17.125
  336    HG   SER  40           HG       SER  40  -4.566   8.813  15.406
  337    H    CYS  41           H        CYS  41  -0.745   8.834  17.391
  338    HA   CYS  41           HA       CYS  41  -0.758   6.445  19.192
  339   1HB   CYS  41          HB2       CYS  41   0.647   6.875  16.532
  340   2HB   CYS  41          HB3       CYS  41   0.713   5.408  17.518
  341    HG   CYS  41           HG       CYS  41  -0.794   4.974  15.445
  342    H    HIS  42           H        HIS  42   0.914   6.202  20.611
  343    HA   HIS  42           HA       HIS  42   2.526   8.423  21.232
  344   1HB   HIS  42          HB2       HIS  42   1.837   6.697  22.860
  345   2HB   HIS  42          HB3       HIS  42   2.851   5.503  22.047
  346    HD1  HIS  42           HD1      HIS  42   3.154   8.563  24.365
  347    HD2  HIS  42           HD2      HIS  42   5.507   5.602  22.505
  348    HE1  HIS  42           HE1      HIS  42   5.457   8.696  25.439
  349    H    LEU  43           H        LEU  43   3.314   5.501  19.340
  350    HA   LEU  43           HA       LEU  43   6.098   6.084  19.219
  351   1HB   LEU  43          HB2       LEU  43   4.331   4.108  17.994
  352   2HB   LEU  43          HB3       LEU  43   5.464   4.723  16.798
  353    HG   LEU  43           HG       LEU  43   6.258   3.593  19.512
  354   1HD1  LEU  43          HD11      LEU  43   6.466   2.389  16.720
  355   2HD1  LEU  43          HD12      LEU  43   7.078   1.661  18.220
  356   3HD1  LEU  43          HD13      LEU  43   5.338   1.884  17.995
  357   1HD2  LEU  43          HD21      LEU  43   8.568   3.548  18.536
  358   2HD2  LEU  43          HD22      LEU  43   7.976   4.481  17.145
  359   3HD2  LEU  43          HD23      LEU  43   7.972   5.186  18.778
  360    H    CYS  44           H        CYS  44   3.378   7.355  17.310
  361    HA   CYS  44           HA       CYS  44   5.000   8.735  15.367
  362   1HB   CYS  44          HB2       CYS  44   2.292   9.523  16.507
  363   2HB   CYS  44          HB3       CYS  44   3.066  10.207  15.079
  364    HG   CYS  44           HG       CYS  44   0.991   8.299  14.927
  365    H    LYS  45           H        LYS  45   3.826   9.618  18.685
  366    HA   LYS  45           HA       LYS  45   4.946  12.245  18.580
  367   1HB   LYS  45          HB2       LYS  45   4.723  10.609  21.115
  368   2HB   LYS  45          HB3       LYS  45   4.713  12.366  20.892
  369   1HG   LYS  45          HG2       LYS  45   2.456  10.437  20.241
  370   2HG   LYS  45          HG3       LYS  45   2.515  11.662  21.500
  371   1HD   LYS  45          HD2       LYS  45   2.841  13.323  19.437
  372   2HD   LYS  45          HD3       LYS  45   2.183  11.972  18.510
  373   1HE   LYS  45          HE2       LYS  45   0.303  13.345  19.089
  374   2HE   LYS  45          HE3       LYS  45   0.217  11.957  20.160
  375   1HZ   LYS  45          HZ1       LYS  45  -0.162  14.026  21.342
  376   2HZ   LYS  45          HZ2       LYS  45   1.190  13.332  21.918
  377   3HZ   LYS  45          HZ3       LYS  45   1.294  14.622  20.915
  378    H    GLU  46           H        GLU  46   6.566   9.176  19.073
  379    HA   GLU  46           HA       GLU  46   8.992  10.485  20.167
  380   1HB   GLU  46          HB2       GLU  46   8.341   7.622  19.347
  381   2HB   GLU  46          HB3       GLU  46   9.850   8.121  20.108
  382   1HG   GLU  46          HG2       GLU  46   7.111   8.541  21.413
  383   2HG   GLU  46          HG3       GLU  46   8.074   7.077  21.610
  384    H    ALA  47           H        ALA  47   7.884   8.857  17.167
  385    HA   ALA  47           HA       ALA  47  10.310   9.150  15.708
  386   1HB   ALA  47          HB1       ALA  47   7.404   9.102  14.737
  387   2HB   ALA  47          HB2       ALA  47   8.834   8.899  13.709
  388   3HB   ALA  47          HB3       ALA  47   8.455   7.681  14.948
  389    H    MET  48           H        MET  48   7.488  11.328  16.147
  390    HA   MET  48           HA       MET  48   8.194  13.254  14.336
  391   1HB   MET  48          HB2       MET  48   6.631  13.428  16.950
  392   2HB   MET  48          HB3       MET  48   6.852  14.798  15.852
  393   1HG   MET  48          HG2       MET  48   4.886  12.802  15.729
  394   2HG   MET  48          HG3       MET  48   5.085  14.200  14.720
  395   1HE   MET  48          HE1       MET  48   6.145  12.958  11.347
  396   2HE   MET  48          HE2       MET  48   5.370  14.204  12.350
  397   3HE   MET  48          HE3       MET  48   7.114  13.906  12.493
  398    HA   PRO  49           HA       PRO  49  10.932  15.777  17.330
  399   1HB   PRO  49          HB2       PRO  49  12.221  14.161  19.289
  400   2HB   PRO  49          HB3       PRO  49  11.021  15.466  19.555
  401   1HG   PRO  49          HG2       PRO  49  10.651  12.510  19.513
  402   2HG   PRO  49          HG3       PRO  49   9.718  13.736  20.413
  403   1HD   PRO  49          HD2       PRO  49   8.772  12.510  18.140
  404   2HD   PRO  49          HD3       PRO  49   8.328  14.177  18.589
  405    H    GLN  50           H        GLN  50  11.575  12.235  16.724
  406    HA   GLN  50           HA       GLN  50  14.295  12.923  16.046
  407   1HB   GLN  50          HB2       GLN  50  13.254  10.538  16.616
  408   2HB   GLN  50          HB3       GLN  50  13.226  10.399  14.857
  409   1HG   GLN  50          HG2       GLN  50  15.735  11.474  16.205
  410   2HG   GLN  50          HG3       GLN  50  15.365   9.780  16.412
  411   1HE2  GLN  50          HE22      GLN  50  15.203   8.411  14.458
  412   2HE2  GLN  50          HE21      GLN  50  16.217   8.810  13.075
  413    H    VAL  51           H        VAL  51  11.297  12.733  14.128
  414    HA   VAL  51           HA       VAL  51  12.374  13.145  11.553
  415    HB   VAL  51           HB       VAL  51   9.752  14.071  12.788
  416   1HG1  VAL  51          HG11      VAL  51  10.137  15.524  10.901
  417   2HG1  VAL  51          HG12      VAL  51  10.540  14.135   9.867
  418   3HG1  VAL  51          HG13      VAL  51   8.891  14.333  10.505
  419   1HG2  VAL  51          HG21      VAL  51   8.686  12.256  11.686
  420   2HG2  VAL  51          HG22      VAL  51  10.154  11.850  10.787
  421   3HG2  VAL  51          HG23      VAL  51  10.071  11.561  12.521
  422    H    ASN  52           H        ASN  52  11.809  15.488  14.264
  423    HA   ASN  52           HA       ASN  52  12.440  17.829  12.778
  424   1HB   ASN  52          HB2       ASN  52  11.902  18.685  14.738
  425   2HB   ASN  52          HB3       ASN  52  11.967  17.143  15.531
  426   1HD2  ASN  52          HD22      ASN  52  13.823  16.619  16.810
  427   2HD2  ASN  52          HD21      ASN  52  15.030  17.825  17.216
  428    H    GLU  53           H        GLU  53  14.672  15.673  14.705
  429    HA   GLU  53           HA       GLU  53  16.899  17.288  13.746
  430   1HB   GLU  53          HB2       GLU  53  18.385  15.708  14.815
  431   2HB   GLU  53          HB3       GLU  53  17.129  16.298  15.902
  432   1HG   GLU  53          HG2       GLU  53  15.932  14.220  15.785
  433   2HG   GLU  53          HG3       GLU  53  16.971  13.619  14.486
  434    H    PHE  54           H        PHE  54  15.272  14.422  12.482
  435    HA   PHE  54           HA       PHE  54  17.340  13.438  10.792
  436   1HB   PHE  54          HB2       PHE  54  15.026  12.463  11.576
  437   2HB   PHE  54          HB3       PHE  54  14.368  13.299  10.189
  438    HD1  PHE  54           HD1      PHE  54  15.752  12.742   7.883
  439    HD2  PHE  54           HD2      PHE  54  15.603  10.306  11.437
  440    HE1  PHE  54           HE1      PHE  54  16.294  10.747   6.549
  441    HE2  PHE  54           HE2      PHE  54  16.070   8.295  10.087
  442    HZ   PHE  54           HZ       PHE  54  16.467   8.503   7.636
  443    H    ARG  55           H        ARG  55  14.629  15.710  10.364
  444    HA   ARG  55           HA       ARG  55  15.033  16.261   7.665
  445   1HB   ARG  55          HB2       ARG  55  12.991  16.784   8.912
  446   2HB   ARG  55          HB3       ARG  55  13.825  17.985   9.879
  447   1HG   ARG  55          HG2       ARG  55  13.445  18.173   6.853
  448   2HG   ARG  55          HG3       ARG  55  12.304  18.808   8.028
  449   1HD   ARG  55          HD2       ARG  55  15.135  19.786   7.600
  450   2HD   ARG  55          HD3       ARG  55  13.640  20.621   7.188
  451    HE   ARG  55           HE       ARG  55  13.274  20.289   9.820
  452   1HH1  ARG  55          HH11      ARG  55  16.046  21.669   8.061
  453   2HH1  ARG  55          HH12      ARG  55  16.857  22.183   9.524
  454   1HH2  ARG  55          HH21      ARG  55  13.962  21.543  11.514
  455   2HH2  ARG  55          HH22      ARG  55  15.488  22.379  11.486
  456    H    ASP  56           H        ASP  56  16.445  17.880  10.585
  457    HA   ASP  56           HA       ASP  56  17.772  19.789   8.848
  458   1HB   ASP  56          HB2       ASP  56  17.100  20.131  11.315
  459   2HB   ASP  56          HB3       ASP  56  18.479  19.123  11.744
  460    H    LYS  57           H        LYS  57  18.714  16.716  10.451
  461    HA   LYS  57           HA       LYS  57  21.445  16.961  10.221
  462   1HB   LYS  57          HB2       LYS  57  19.610  14.563  10.289
  463   2HB   LYS  57          HB3       LYS  57  21.314  14.298   9.947
  464   1HG   LYS  57          HG2       LYS  57  22.013  15.366  12.011
  465   2HG   LYS  57          HG3       LYS  57  20.355  15.747  12.441
  466   1HD   LYS  57          HD2       LYS  57  21.576  12.958  12.186
  467   2HD   LYS  57          HD3       LYS  57  21.128  13.800  13.679
  468   1HE   LYS  57          HE2       LYS  57  18.740  13.876  12.758
  469   2HE   LYS  57          HE3       LYS  57  19.273  12.739  11.510
  470   1HZ   LYS  57          HZ1       LYS  57  18.248  11.634  13.401
  471   2HZ   LYS  57          HZ2       LYS  57  19.816  11.160  13.302
  472   3HZ   LYS  57          HZ3       LYS  57  19.315  12.274  14.438
  473    H    TYR  58           H        TYR  58  19.159  15.759   7.764
  474    HA   TYR  58           HA       TYR  58  21.444  15.447   5.867
  475   1HB   TYR  58          HB2       TYR  58  18.753  14.057   5.884
  476   2HB   TYR  58          HB3       TYR  58  20.096  13.738   4.781
  477    HD1  TYR  58           HD1      TYR  58  18.563  12.661   7.794
  478    HD2  TYR  58           HD2      TYR  58  22.444  13.245   5.994
  479    HE1  TYR  58           HE1      TYR  58  19.578  11.188   9.504
  480    HE2  TYR  58           HE2      TYR  58  23.474  11.824   7.727
  481    HH   TYR  58           HH       TYR  58  23.134  10.664   9.733
  482    H    GLN  59           H        GLN  59  19.579  17.866   6.521
  483    HA   GLN  59           HA       GLN  59  17.888  18.501   4.578
  484   1HB   GLN  59          HB2       GLN  59  18.603  19.825   6.647
  485   2HB   GLN  59          HB3       GLN  59  19.987  20.399   5.728
  486   1HG   GLN  59          HG2       GLN  59  18.471  22.155   5.641
  487   2HG   GLN  59          HG3       GLN  59  18.244  21.394   4.071
  488   1HE2  GLN  59          HE22      GLN  59  16.441  19.467   4.262
  489   2HE2  GLN  59          HE21      GLN  59  15.023  19.904   5.180
  490    H    ASP  60           H        ASP  60  21.346  18.600   4.160
  491    HA   ASP  60           HA       ASP  60  21.210  20.124   1.636
  492   1HB   ASP  60          HB2       ASP  60  22.878  20.617   3.432
  493   2HB   ASP  60          HB3       ASP  60  23.592  19.024   3.180
  494    H    GLN  61           H        GLN  61  20.591  17.008   2.284
  495    HA   GLN  61           HA       GLN  61  21.904  15.897  -0.166
  496   1HB   GLN  61          HB2       GLN  61  21.898  14.690   2.634
  497   2HB   GLN  61          HB3       GLN  61  22.521  13.911   1.177
  498   1HG   GLN  61          HG2       GLN  61  24.214  15.746   0.945
  499   2HG   GLN  61          HG3       GLN  61  23.673  16.399   2.495
  500   1HE2  GLN  61          HE22      GLN  61  24.166  15.229   4.467
  501   2HE2  GLN  61          HE21      GLN  61  25.326  13.926   4.474
  502    H    LEU  62           H        LEU  62  19.101  16.099   1.867
  503    HA   LEU  62           HA       LEU  62  17.701  13.895   0.461
  504   1HB   LEU  62          HB2       LEU  62  18.675  12.997   2.581
  505   2HB   LEU  62          HB3       LEU  62  18.030  14.387   3.451
  506    HG   LEU  62           HG       LEU  62  15.690  13.589   2.798
  507   1HD1  LEU  62          HD11      LEU  62  15.408  11.238   2.251
  508   2HD1  LEU  62          HD12      LEU  62  16.415  11.982   1.009
  509   3HD1  LEU  62          HD13      LEU  62  17.164  10.973   2.264
  510   1HD2  LEU  62          HD21      LEU  62  15.654  11.946   4.642
  511   2HD2  LEU  62          HD22      LEU  62  17.435  11.987   4.659
  512   3HD2  LEU  62          HD23      LEU  62  16.515  13.448   5.040
  513    H    ASN  63           H        ASN  63  15.573  14.414   0.153
  514    HA   ASN  63           HA       ASN  63  14.537  17.017   1.188
  515   1HB   ASN  63          HB2       ASN  63  13.294  15.130  -0.859
  516   2HB   ASN  63          HB3       ASN  63  12.735  16.733  -0.392
  517   1HD2  ASN  63          HD22      ASN  63  15.323  14.952  -2.055
  518   2HD2  ASN  63          HD21      ASN  63  15.746  16.286  -3.104
  519    H    VAL  64           H        VAL  64  12.576  16.958   2.433
  520    HA   VAL  64           HA       VAL  64  11.669  14.289   3.345
  521    HB   VAL  64           HB       VAL  64  12.186  16.671   5.172
  522   1HG1  VAL  64          HG11      VAL  64  10.456  15.009   5.925
  523   2HG1  VAL  64          HG12      VAL  64  11.678  13.736   5.814
  524   3HG1  VAL  64          HG13      VAL  64  11.869  15.067   6.981
  525   1HG2  VAL  64          HG21      VAL  64  14.396  15.934   4.512
  526   2HG2  VAL  64          HG22      VAL  64  14.070  15.244   6.101
  527   3HG2  VAL  64          HG23      VAL  64  13.930  14.221   4.666
  528    H    VAL  65           H        VAL  65   9.454  14.205   3.609
  529    HA   VAL  65           HA       VAL  65   7.862  16.624   3.827
  530    HB   VAL  65           HB       VAL  65   7.993  16.370   1.398
  531   1HG1  VAL  65          HG11      VAL  65   6.967  13.542   1.801
  532   2HG1  VAL  65          HG12      VAL  65   7.089  14.361   0.239
  533   3HG1  VAL  65          HG13      VAL  65   8.556  14.009   1.159
  534   1HG2  VAL  65          HG21      VAL  65   5.681  16.273   0.774
  535   2HG2  VAL  65          HG22      VAL  65   5.240  15.433   2.266
  536   3HG2  VAL  65          HG23      VAL  65   5.826  17.113   2.320
  537    H    ALA  66           H        ALA  66   5.584  15.889   4.569
  538    HA   ALA  66           HA       ALA  66   5.453  13.035   5.256
  539   1HB   ALA  66          HB1       ALA  66   4.937  13.382   7.582
  540   2HB   ALA  66          HB2       ALA  66   6.491  14.147   7.255
  541   3HB   ALA  66          HB3       ALA  66   5.022  15.148   7.403
  542    H    VAL  67           H        VAL  67   3.334  12.433   6.075
  543    HA   VAL  67           HA       VAL  67   1.122  14.199   5.194
  544    HB   VAL  67           HB       VAL  67   0.137  11.941   4.296
  545   1HG1  VAL  67          HG11      VAL  67   0.899  12.581   2.019
  546   2HG1  VAL  67          HG12      VAL  67   0.484  14.003   2.984
  547   3HG1  VAL  67          HG13      VAL  67   2.189  13.577   2.722
  548   1HG2  VAL  67          HG21      VAL  67   1.672  10.520   3.074
  549   2HG2  VAL  67          HG22      VAL  67   3.072  11.402   3.701
  550   3HG2  VAL  67          HG23      VAL  67   2.039  10.462   4.799
  551    H    HIS  68           H        HIS  68  -0.518  14.240   6.588
  552    HA   HIS  68           HA       HIS  68  -0.276  12.500   8.961
  553   1HB   HIS  68          HB2       HIS  68  -0.697  15.042   9.058
  554   2HB   HIS  68          HB3       HIS  68  -2.349  14.672   8.573
  555    HD1  HIS  68           HD1      HIS  68  -3.873  13.446  10.528
  556    HD2  HIS  68           HD2      HIS  68   0.194  14.089  11.412
  557    HE1  HIS  68           HE1      HIS  68  -3.549  12.927  12.998
  558    H    MET  69           H        MET  69  -1.438  10.689   9.138
  559    HA   MET  69           HA       MET  69  -3.559   9.969   7.214
  560   1HB   MET  69          HB2       MET  69  -1.961   8.274   7.644
  561   2HB   MET  69          HB3       MET  69  -1.996   8.573   9.373
  562   1HG   MET  69          HG2       MET  69  -3.103   6.519   8.949
  563   2HG   MET  69          HG3       MET  69  -4.292   7.681   9.505
  564   1HE   MET  69          HE1       MET  69  -6.071   5.776   8.759
  565   2HE   MET  69          HE2       MET  69  -6.093   5.080   7.122
  566   3HE   MET  69          HE3       MET  69  -4.694   4.811   8.190
  567    HA   PRO  70           HA       PRO  70  -6.403  11.533  10.437
  568   1HB   PRO  70          HB2       PRO  70  -8.732  11.496   9.063
  569   2HB   PRO  70          HB3       PRO  70  -7.432  12.667   8.707
  570   1HG   PRO  70          HG2       PRO  70  -7.986  10.042   7.279
  571   2HG   PRO  70          HG3       PRO  70  -7.738  11.663   6.553
  572   1HD   PRO  70          HD2       PRO  70  -5.723   9.821   6.805
  573   2HD   PRO  70          HD3       PRO  70  -5.426  11.581   6.930
  574    H    ARG  71           H        ARG  71  -5.504   9.297  11.199
  575    HA   ARG  71           HA       ARG  71  -6.890   6.857  10.767
  576   1HB   ARG  71          HB2       ARG  71  -4.612   6.900  11.497
  577   2HB   ARG  71          HB3       ARG  71  -4.993   7.866  12.908
  578   1HG   ARG  71          HG2       ARG  71  -6.271   5.974  13.895
  579   2HG   ARG  71          HG3       ARG  71  -5.892   4.987  12.469
  580   1HD   ARG  71          HD2       ARG  71  -3.529   5.119  12.966
  581   2HD   ARG  71          HD3       ARG  71  -3.798   6.260  14.290
  582    HE   ARG  71           HE       ARG  71  -4.238   3.355  14.259
  583   1HH1  ARG  71          HH21      ARG  71  -4.718   6.379  16.110
  584   2HH1  ARG  71          HH22      ARG  71  -5.232   5.556  17.537
  585   1HH2  ARG  71          HH11      ARG  71  -4.819   2.299  16.205
  586   2HH2  ARG  71          HH12      ARG  71  -5.217   3.200  17.615
  587    H    SER  72           H        SER  72  -7.442   9.447  13.143
  588    HA   SER  72           HA       SER  72  -9.877   8.087  14.135
  589   1HB   SER  72          HB2       SER  72  -8.192   9.470  16.162
  590   2HB   SER  72          HB3       SER  72  -9.121   7.974  16.302
  591    HG   SER  72           HG       SER  72  -6.560   8.430  15.184
  592    H    GLU  73           H        GLU  73 -11.127   9.786  15.583
  593    HA   GLU  73           HA       GLU  73 -11.359  12.254  14.170
  594   1HB   GLU  73          HB2       GLU  73 -13.215  11.330  15.309
  595   2HB   GLU  73          HB3       GLU  73 -12.388  11.389  16.883
  596   1HG   GLU  73          HG2       GLU  73 -12.425  13.850  16.821
  597   2HG   GLU  73          HG3       GLU  73 -13.108  13.825  15.192
  598    H    ASP  74           H        ASP  74  -9.265  11.261  16.882
  599    HA   ASP  74           HA       ASP  74  -8.444  13.900  17.596
  600   1HB   ASP  74          HB2       ASP  74  -7.948  11.692  18.856
  601   2HB   ASP  74          HB3       ASP  74  -6.593  11.498  17.730
  602    H    ASP  75           H        ASP  75  -7.774  11.976  14.789
  603    HA   ASP  75           HA       ASP  75  -5.319  13.470  14.075
  604   1HB   ASP  75          HB2       ASP  75  -6.661  11.038  12.816
  605   2HB   ASP  75          HB3       ASP  75  -5.126  11.704  12.327
  606    H    LEU  76           H        LEU  76  -8.607  13.875  13.709
  607    HA   LEU  76           HA       LEU  76  -8.666  14.407  10.833
  608   1HB   LEU  76          HB2       LEU  76 -10.156  12.783  11.889
  609   2HB   LEU  76          HB3       LEU  76 -10.634  13.982  13.097
  610    HG   LEU  76           HG       LEU  76 -11.812  15.255  11.515
  611   1HD1  LEU  76          HD11      LEU  76 -10.543  14.763   9.421
  612   2HD1  LEU  76          HD12      LEU  76 -11.079  13.075   9.485
  613   3HD1  LEU  76          HD13      LEU  76 -12.254  14.377   9.194
  614   1HD2  LEU  76          HD21      LEU  76 -12.533  12.288  11.439
  615   2HD2  LEU  76          HD22      LEU  76 -12.936  13.419  12.741
  616   3HD2  LEU  76          HD23      LEU  76 -13.661  13.630  11.138
  617    H    ASP  77           H        ASP  77  -7.976  16.159  13.617
  618    HA   ASP  77           HA       ASP  77  -9.351  18.634  12.679
  619   1HB   ASP  77          HB2       ASP  77  -9.897  17.938  14.982
  620   2HB   ASP  77          HB3       ASP  77  -8.179  18.026  15.391
  621    HA   PRO  78           HA       PRO  78  -5.081  19.316  11.465
  622   1HB   PRO  78          HB2       PRO  78  -5.322  21.600  10.027
  623   2HB   PRO  78          HB3       PRO  78  -5.821  19.975   9.441
  624   1HG   PRO  78          HG2       PRO  78  -7.555  22.153  10.658
  625   2HG   PRO  78          HG3       PRO  78  -7.878  21.177   9.188
  626   1HD   PRO  78          HD2       PRO  78  -8.938  20.565  11.642
  627   2HD   PRO  78          HD3       PRO  78  -8.483  19.294  10.468
  628    H    GLY  79           H        GLY  79  -6.871  21.263  13.691
  629   1HA   GLY  79          HA2       GLY  79  -4.798  23.330  14.066
  630   2HA   GLY  79          HA3       GLY  79  -6.281  23.068  15.014
  631    H    LYS  80           H        LYS  80  -5.971  20.219  15.363
  632    HA   LYS  80           HA       LYS  80  -4.139  20.121  17.630
  633   1HB   LYS  80          HB2       LYS  80  -5.450  17.866  16.039
  634   2HB   LYS  80          HB3       LYS  80  -4.498  17.662  17.513
  635   1HG   LYS  80          HG2       LYS  80  -6.093  18.962  18.812
  636   2HG   LYS  80          HG3       LYS  80  -7.078  19.269  17.361
  637   1HD   LYS  80          HD2       LYS  80  -7.461  16.873  17.060
  638   2HD   LYS  80          HD3       LYS  80  -6.387  16.489  18.414
  639   1HE   LYS  80          HE2       LYS  80  -7.890  17.826  19.930
  640   2HE   LYS  80          HE3       LYS  80  -8.999  18.085  18.572
  641   1HZ   LYS  80          HZ1       LYS  80  -8.240  15.400  19.586
  642   2HZ   LYS  80          HZ2       LYS  80  -9.579  16.212  20.090
  643   3HZ   LYS  80          HZ3       LYS  80  -9.458  15.760  18.529
  644    H    ILE  81           H        ILE  81  -4.037  18.879  14.256
  645    HA   ILE  81           HA       ILE  81  -1.486  17.692  14.428
  646    HB   ILE  81           HB       ILE  81  -2.887  18.975  12.054
  647   1HG1  ILE  81          HG12      ILE  81  -2.662  16.042  12.861
  648   2HG1  ILE  81          HG13      ILE  81  -4.052  17.042  13.242
  649   1HG2  ILE  81          HG21      ILE  81  -0.434  18.754  11.609
  650   2HG2  ILE  81          HG22      ILE  81  -0.510  17.043  12.074
  651   3HG2  ILE  81          HG23      ILE  81  -1.352  17.631  10.624
  652   1HD1  ILE  81          HD11      ILE  81  -3.124  16.310  10.449
  653   2HD1  ILE  81          HD12      ILE  81  -4.606  15.810  11.281
  654   3HD1  ILE  81          HD13      ILE  81  -4.392  17.492  10.792
  655    H    LYS  82           H        LYS  82  -2.292  21.086  13.279
  656    HA   LYS  82           HA       LYS  82   0.277  22.013  12.953
  657   1HB   LYS  82          HB2       LYS  82  -1.857  23.027  12.256
  658   2HB   LYS  82          HB3       LYS  82  -2.283  23.358  13.925
  659   1HG   LYS  82          HG2       LYS  82  -0.058  24.674  12.322
  660   2HG   LYS  82          HG3       LYS  82  -1.629  25.360  12.758
  661   1HD   LYS  82          HD2       LYS  82  -0.919  24.841  15.193
  662   2HD   LYS  82          HD3       LYS  82   0.726  24.730  14.530
  663   1HE   LYS  82          HE2       LYS  82  -1.118  27.160  14.314
  664   2HE   LYS  82          HE3       LYS  82   0.186  26.987  15.488
  665   1HZ   LYS  82          HZ1       LYS  82   0.550  27.100  12.548
  666   2HZ   LYS  82          HZ2       LYS  82   0.897  28.285  13.605
  667   3HZ   LYS  82          HZ3       LYS  82   1.762  26.908  13.638
  668    H    GLU  83           H        GLU  83  -1.684  22.174  16.019
  669    HA   GLU  83           HA       GLU  83   0.349  23.507  17.456
  670   1HB   GLU  83          HB2       GLU  83  -2.053  23.419  18.055
  671   2HB   GLU  83          HB3       GLU  83  -1.892  21.710  18.488
  672   1HG   GLU  83          HG2       GLU  83  -0.301  22.303  20.285
  673   2HG   GLU  83          HG3       GLU  83  -0.353  23.998  19.797
  674    H    THR  84           H        THR  84  -0.337  20.013  17.125
  675    HA   THR  84           HA       THR  84   1.569  19.114  19.065
  676    HB   THR  84           HB       THR  84   0.236  17.822  16.638
  677    HG1  THR  84           HG1      THR  84  -1.288  18.346  18.009
  678   1HG2  THR  84          HG21      THR  84   0.643  15.677  17.990
  679   2HG2  THR  84          HG22      THR  84   1.986  16.401  17.071
  680   3HG2  THR  84          HG23      THR  84   1.894  16.609  18.846
  681    H    ALA  85           H        ALA  85   1.697  19.360  15.492
  682    HA   ALA  85           HA       ALA  85   4.318  18.459  15.062
  683   1HB   ALA  85          HB1       ALA  85   2.670  18.785  13.286
  684   2HB   ALA  85          HB2       ALA  85   2.605  20.521  13.623
  685   3HB   ALA  85          HB3       ALA  85   4.081  19.816  12.938
  686    H    ALA  86           H        ALA  86   3.136  21.783  15.684
  687    HA   ALA  86           HA       ALA  86   5.532  23.197  15.408
  688   1HB   ALA  86          HB1       ALA  86   3.267  24.203  15.701
  689   2HB   ALA  86          HB2       ALA  86   3.280  23.678  17.408
  690   3HB   ALA  86          HB3       ALA  86   4.447  24.886  16.840
  691    H    GLU  87           H        GLU  87   4.530  21.075  18.030
  692    HA   GLU  87           HA       GLU  87   6.507  22.200  19.930
  693   1HB   GLU  87          HB2       GLU  87   4.231  20.203  20.089
  694   2HB   GLU  87          HB3       GLU  87   5.427  20.320  21.384
  695   1HG   GLU  87          HG2       GLU  87   3.741  22.657  20.379
  696   2HG   GLU  87          HG3       GLU  87   3.316  21.638  21.749
  697    H    HIS  88           H        HIS  88   5.859  19.196  18.044
  698    HA   HIS  88           HA       HIS  88   8.282  17.869  18.808
  699   1HB   HIS  88          HB2       HIS  88   6.648  17.685  16.244
  700   2HB   HIS  88          HB3       HIS  88   7.896  16.550  16.775
  701    HD1  HIS  88           HD1      HIS  88   7.017  16.115  19.796
  702    HD2  HIS  88           HD2      HIS  88   4.466  16.234  16.440
  703    HE1  HIS  88           HE1      HIS  88   4.939  14.819  20.428
  704    H    ASP  89           H        ASP  89   7.703  20.528  16.616
  705    HA   ASP  89           HA       ASP  89   9.052  21.905  15.527
  706   1HB   ASP  89          HB2       ASP  89  10.707  21.467  17.447
  707   2HB   ASP  89          HB3       ASP  89  11.524  20.353  16.337
  708    H    ILE  90           H        ILE  90   8.074  19.174  14.492
  709    HA   ILE  90           HA       ILE  90   9.831  18.438  12.367
  710    HB   ILE  90           HB       ILE  90   7.868  17.333  11.444
  711   1HG1  ILE  90          HG12      ILE  90   6.280  18.665  13.669
  712   2HG1  ILE  90          HG13      ILE  90   6.072  18.859  11.917
  713   1HG2  ILE  90          HG21      ILE  90   8.189  16.942  14.447
  714   2HG2  ILE  90          HG22      ILE  90   7.679  15.730  13.276
  715   3HG2  ILE  90          HG23      ILE  90   9.315  16.375  13.207
  716   1HD1  ILE  90          HD11      ILE  90   4.367  17.398  12.631
  717   2HD1  ILE  90          HD12      ILE  90   5.542  16.399  11.776
  718   3HD1  ILE  90          HD13      ILE  90   5.477  16.391  13.566
  719    H    THR  91           H        THR  91  10.496  19.709  10.885
  720    HA   THR  91           HA       THR  91   8.985  22.098  10.081
  721    HB   THR  91           HB       THR  91  11.608  22.682   9.672
  722    HG1  THR  91           HG1      THR  91  11.627  21.079  12.017
  723   1HG2  THR  91          HG21      THR  91  10.077  23.966  11.071
  724   2HG2  THR  91          HG22      THR  91  10.052  22.673  12.288
  725   3HG2  THR  91          HG23      THR  91  11.543  23.612  12.010
  726    H    GLN  92           H        GLN  92   9.663  19.131   8.749
  727    HA   GLN  92           HA       GLN  92  10.337  19.914   6.046
  728   1HB   GLN  92          HB2       GLN  92   9.721  17.704   5.456
  729   2HB   GLN  92          HB3       GLN  92  10.601  17.572   6.960
  730   1HG   GLN  92          HG2       GLN  92   7.547  17.458   6.755
  731   2HG   GLN  92          HG3       GLN  92   8.580  16.060   6.647
  732   1HE2  GLN  92          HE22      GLN  92   6.818  15.666   8.463
  733   2HE2  GLN  92          HE21      GLN  92   7.416  15.973  10.070
  734    HA   PRO  93           HA       PRO  93   6.169  21.308   4.809
  735   1HB   PRO  93          HB2       PRO  93   6.599  19.540   2.399
  736   2HB   PRO  93          HB3       PRO  93   6.008  21.227   2.454
  737   1HG   PRO  93          HG2       PRO  93   8.561  20.696   1.714
  738   2HG   PRO  93          HG3       PRO  93   8.218  22.062   2.826
  739   1HD   PRO  93          HD2       PRO  93   9.199  19.286   3.514
  740   2HD   PRO  93          HD3       PRO  93   9.764  20.867   4.133
  741    H    ILE  94           H        ILE  94   4.075  20.389   5.110
  742    HA   ILE  94           HA       ILE  94   3.808  17.435   5.089
  743    HB   ILE  94           HB       ILE  94   2.810  19.268   7.290
  744   1HG1  ILE  94          HG12      ILE  94   5.223  17.432   7.313
  745   2HG1  ILE  94          HG13      ILE  94   5.148  19.184   7.561
  746   1HG2  ILE  94          HG21      ILE  94   2.177  17.214   8.507
  747   2HG2  ILE  94          HG22      ILE  94   1.378  17.260   6.960
  748   3HG2  ILE  94          HG23      ILE  94   2.797  16.216   7.171
  749   1HD1  ILE  94          HD11      ILE  94   5.582  18.266   9.666
  750   2HD1  ILE  94          HD12      ILE  94   3.888  18.790   9.694
  751   3HD1  ILE  94          HD13      ILE  94   4.298  17.062   9.514
  752    H    PHE  95           H        PHE  95   1.657  16.804   4.472
  753    HA   PHE  95           HA       PHE  95  -0.305  18.991   4.337
  754   1HB   PHE  95          HB2       PHE  95  -0.989  18.761   2.215
  755   2HB   PHE  95          HB3       PHE  95   0.739  18.616   2.021
  756    HD1  PHE  95           HD1      PHE  95   1.692  16.554   1.062
  757    HD2  PHE  95           HD2      PHE  95  -2.498  16.810   2.054
  758    HE1  PHE  95           HE1      PHE  95   1.249  14.484  -0.237
  759    HE2  PHE  95           HE2      PHE  95  -2.928  14.743   0.771
  760    HZ   PHE  95           HZ       PHE  95  -1.078  13.564  -0.368
  761    H    VAL  96           H        VAL  96  -2.364  18.421   4.568
  762    HA   VAL  96           HA       VAL  96  -3.003  15.611   5.354
  763    HB   VAL  96           HB       VAL  96  -4.403  18.056   6.489
  764   1HG1  VAL  96          HG11      VAL  96  -4.140  15.156   7.379
  765   2HG1  VAL  96          HG12      VAL  96  -4.960  16.434   8.319
  766   3HG1  VAL  96          HG13      VAL  96  -5.575  15.946   6.738
  767   1HG2  VAL  96          HG21      VAL  96  -1.938  16.756   7.701
  768   2HG2  VAL  96          HG22      VAL  96  -2.122  18.445   7.198
  769   3HG2  VAL  96          HG23      VAL  96  -3.054  17.853   8.564
  770    H    ASP  97           H        ASP  97  -5.160  14.915   4.639
  771    HA   ASP  97           HA       ASP  97  -6.722  16.823   3.055
  772   1HB   ASP  97          HB2       ASP  97  -5.023  15.900   1.483
  773   2HB   ASP  97          HB3       ASP  97  -5.658  14.287   1.802
  774    H    SER  98           H        SER  98  -8.877  16.185   2.760
  775    HA   SER  98           HA       SER  98  -9.973  14.481   4.737
  776   1HB   SER  98          HB2       SER  98 -11.322  15.571   2.239
  777   2HB   SER  98          HB3       SER  98 -12.072  15.181   3.798
  778    HG   SER  98           HG       SER  98 -11.698  17.431   3.542
  779    H    ASP  99           H        ASP  99  -8.880  13.798   1.449
  780    HA   ASP  99           HA       ASP  99 -10.231  11.127   1.520
  781   1HB   ASP  99          HB2       ASP  99 -11.098  12.534  -0.263
  782   2HB   ASP  99          HB3       ASP  99  -9.466  12.895  -0.826
  783    H    HIS 100           H        HIS 100  -7.194  12.926   0.810
  784    HA   HIS 100           HA       HIS 100  -5.134  12.439   0.813
  785   1HB   HIS 100          HB2       HIS 100  -5.628  11.363   3.016
  786   2HB   HIS 100          HB3       HIS 100  -5.668   9.803   2.187
  787    HD1  HIS 100           HD1      HIS 100  -3.353   8.677   2.582
  788    HD2  HIS 100           HD2      HIS 100  -3.187  12.834   1.889
  789    HE1  HIS 100           HE1      HIS 100  -0.877   9.336   2.710
  790    H    ALA 101           H        ALA 101  -4.885  12.516  -1.309
  791    HA   ALA 101           HA       ALA 101  -5.762  10.608  -3.163
  792   1HB   ALA 101          HB1       ALA 101  -4.288  11.800  -4.724
  793   2HB   ALA 101          HB2       ALA 101  -5.127  12.951  -3.678
  794   3HB   ALA 101          HB3       ALA 101  -3.421  12.552  -3.368
  795    H    LEU 102           H        LEU 102  -2.977  10.469  -1.049
  796    HA   LEU 102           HA       LEU 102  -1.511   8.537  -2.720
  797   1HB   LEU 102          HB2       LEU 102  -1.041   9.640   0.043
  798   2HB   LEU 102          HB3       LEU 102  -0.463   7.998  -0.321
  799    HG   LEU 102           HG       LEU 102   0.665   8.810  -2.318
  800   1HD1  LEU 102          HD11      LEU 102   0.032  11.589  -1.243
  801   2HD1  LEU 102          HD12      LEU 102   1.137  11.205  -2.585
  802   3HD1  LEU 102          HD13      LEU 102  -0.583  10.886  -2.758
  803   1HD2  LEU 102          HD21      LEU 102   1.930   8.507  -0.249
  804   2HD2  LEU 102          HD22      LEU 102   2.577   9.893  -1.132
  805   3HD2  LEU 102          HD23      LEU 102   1.531  10.155   0.284
  806    H    THR 103           H        THR 103  -3.958   8.370  -0.125
  807    HA   THR 103           HA       THR 103  -3.593   5.583   0.371
  808    HB   THR 103           HB       THR 103  -6.021   7.311   0.536
  809    HG1  THR 103           HG1      THR 103  -5.318   7.555   2.740
  810   1HG2  THR 103          HG21      THR 103  -5.438   4.812   2.174
  811   2HG2  THR 103          HG22      THR 103  -6.838   5.879   2.360
  812   3HG2  THR 103          HG23      THR 103  -6.659   4.936   0.881
  813    H    ASP 104           H        ASP 104  -4.868   7.253  -2.499
  814    HA   ASP 104           HA       ASP 104  -6.397   4.884  -3.328
  815   1HB   ASP 104          HB2       ASP 104  -6.969   7.168  -4.132
  816   2HB   ASP 104          HB3       ASP 104  -5.386   7.269  -4.929
  817    H    ALA 105           H        ALA 105  -3.123   5.919  -3.294
  818    HA   ALA 105           HA       ALA 105  -2.275   3.948  -5.358
  819   1HB   ALA 105          HB1       ALA 105  -0.777   6.239  -4.016
  820   2HB   ALA 105          HB2       ALA 105  -0.193   5.233  -5.352
  821   3HB   ALA 105          HB3       ALA 105  -1.568   6.311  -5.607
  822    H    PHE 106           H        PHE 106  -2.119   4.639  -1.863
  823    HA   PHE 106           HA       PHE 106  -0.194   2.368  -1.481
  824   1HB   PHE 106          HB2       PHE 106  -0.657   4.954   0.058
  825   2HB   PHE 106          HB3       PHE 106   0.236   3.599   0.695
  826    HD1  PHE 106           HD1      PHE 106   2.507   3.133   0.102
  827    HD2  PHE 106           HD2      PHE 106   0.320   6.270  -1.881
  828    HE1  PHE 106           HE1      PHE 106   4.631   4.085  -0.745
  829    HE2  PHE 106           HE2      PHE 106   2.448   7.232  -2.698
  830    HZ   PHE 106           HZ       PHE 106   4.606   6.149  -2.146
  831    H    GLU 107           H        GLU 107  -3.408   3.562  -0.812
  832    HA   GLU 107           HA       GLU 107  -5.013   3.011   0.655
  833   1HB   GLU 107          HB2       GLU 107  -4.660   1.102  -1.066
  834   2HB   GLU 107          HB3       GLU 107  -4.199   0.136   0.344
  835   1HG   GLU 107          HG2       GLU 107  -6.404   0.842   1.410
  836   2HG   GLU 107          HG3       GLU 107  -6.791   1.709  -0.080
  837    H    ASN 108           H        ASN 108  -3.165   4.104   1.999
  838    HA   ASN 108           HA       ASN 108  -1.644   3.077   3.939
  839   1HB   ASN 108          HB2       ASN 108  -1.987   5.497   3.362
  840   2HB   ASN 108          HB3       ASN 108  -3.451   5.497   4.347
  841   1HD2  ASN 108          HD22      ASN 108  -3.046   4.697   6.770
  842   2HD2  ASN 108          HD21      ASN 108  -1.444   5.024   7.445
  843    H    GLU 109           H        GLU 109  -1.921   1.658   5.565
  844    HA   GLU 109           HA       GLU 109  -4.258   1.866   7.353
  845   1HB   GLU 109          HB2       GLU 109  -4.666   0.201   5.416
  846   2HB   GLU 109          HB3       GLU 109  -3.443  -0.820   6.172
  847   1HG   GLU 109          HG2       GLU 109  -4.855  -0.859   8.263
  848   2HG   GLU 109          HG3       GLU 109  -6.013   0.209   7.478
  849    H    TYR 110           H        TYR 110  -1.474   2.695   7.605
  850    HA   TYR 110           HA       TYR 110  -0.438   1.135   9.816
  851   1HB   TYR 110          HB2       TYR 110   1.766   1.153   8.594
  852   2HB   TYR 110          HB3       TYR 110   0.545   0.109   7.868
  853    HD1  TYR 110           HD1      TYR 110   2.051   3.540   7.498
  854    HD2  TYR 110           HD2      TYR 110   0.071   0.245   5.547
  855    HE1  TYR 110           HE1      TYR 110   2.219   4.739   5.358
  856    HE2  TYR 110           HE2      TYR 110   0.270   1.425   3.374
  857    HH   TYR 110           HH       TYR 110   1.702   4.716   3.109
  858    H    VAL 111           H        VAL 111   0.678   2.521  11.105
  859    HA   VAL 111           HA       VAL 111   2.002   4.914  10.305
  860    HB   VAL 111           HB       VAL 111   0.798   6.346  12.096
  861   1HG1  VAL 111          HG11      VAL 111  -0.942   6.123   9.671
  862   2HG1  VAL 111          HG12      VAL 111  -0.400   7.525  10.568
  863   3HG1  VAL 111          HG13      VAL 111   0.743   6.667   9.524
  864   1HG2  VAL 111          HG21      VAL 111  -0.730   4.621  13.002
  865   2HG2  VAL 111          HG22      VAL 111  -1.586   6.038  12.386
  866   3HG2  VAL 111          HG23      VAL 111  -1.569   4.546  11.435
  867    HA   PRO 112           HA       PRO 112   3.254   6.445  11.312
  868   1HB   PRO 112          HB2       PRO 112   5.832   6.727  12.187
  869   2HB   PRO 112          HB3       PRO 112   4.442   7.413  13.053
  870   1HG   PRO 112          HG2       PRO 112   5.921   4.835  13.619
  871   2HG   PRO 112          HG3       PRO 112   5.370   6.075  14.785
  872   1HD   PRO 112          HD2       PRO 112   3.974   3.750  14.301
  873   2HD   PRO 112          HD3       PRO 112   3.142   5.283  14.702
  874    H    ALA 113           H        ALA 113   4.528   6.333   9.334
  875    HA   ALA 113           HA       ALA 113   6.355   4.024   9.035
  876   1HB   ALA 113          HB1       ALA 113   4.229   3.137   8.158
  877   2HB   ALA 113          HB2       ALA 113   4.097   4.556   7.074
  878   3HB   ALA 113          HB3       ALA 113   5.407   3.390   6.854
  879    H    TYR 114           H        TYR 114   7.740   4.149   7.284
  880    HA   TYR 114           HA       TYR 114   8.201   6.895   6.227
  881   1HB   TYR 114          HB2       TYR 114  10.622   5.423   7.022
  882   2HB   TYR 114          HB3       TYR 114  10.157   7.082   7.312
  883    HD1  TYR 114           HD1      TYR 114  10.512   3.794   8.754
  884    HD2  TYR 114           HD2      TYR 114   8.509   7.572   9.269
  885    HE1  TYR 114           HE1      TYR 114   9.994   3.190  11.101
  886    HE2  TYR 114           HE2      TYR 114   8.023   7.005  11.620
  887    HH   TYR 114           HH       TYR 114   8.221   5.400  13.304
  888    H    TYR 115           H        TYR 115   8.923   6.937   4.149
  889    HA   TYR 115           HA       TYR 115   9.636   4.379   2.789
  890   1HB   TYR 115          HB2       TYR 115   7.626   6.505   1.957
  891   2HB   TYR 115          HB3       TYR 115   8.363   5.385   0.827
  892    HD1  TYR 115           HD1      TYR 115   7.264   3.420   0.283
  893    HD2  TYR 115           HD2      TYR 115   6.339   5.333   4.032
  894    HE1  TYR 115           HE1      TYR 115   5.458   1.790   0.651
  895    HE2  TYR 115           HE2      TYR 115   4.501   3.718   4.398
  896    HH   TYR 115           HH       TYR 115   3.768   1.071   2.070
  897    H    VAL 116           H        VAL 116  11.482   4.611   1.607
  898    HA   VAL 116           HA       VAL 116  12.722   7.338   1.479
  899    HB   VAL 116           HB       VAL 116  14.131   4.629   1.391
  900   1HG1  VAL 116          HG11      VAL 116  15.429   6.489   0.443
  901   2HG1  VAL 116          HG12      VAL 116  15.161   7.456   1.905
  902   3HG1  VAL 116          HG13      VAL 116  16.142   5.972   1.980
  903   1HG2  VAL 116          HG21      VAL 116  14.861   4.988   3.718
  904   2HG2  VAL 116          HG22      VAL 116  13.813   6.421   3.828
  905   3HG2  VAL 116          HG23      VAL 116  13.109   4.797   3.628
  906    H    PHE 117           H        PHE 117  13.290   8.050  -0.617
  907    HA   PHE 117           HA       PHE 117  12.811   6.196  -2.910
  908   1HB   PHE 117          HB2       PHE 117  12.012   9.123  -2.617
  909   2HB   PHE 117          HB3       PHE 117  11.887   8.173  -4.087
  910    HD1  PHE 117           HD1      PHE 117   9.991   6.750  -4.497
  911    HD2  PHE 117           HD2      PHE 117  10.571   8.493  -0.594
  912    HE1  PHE 117           HE1      PHE 117   7.709   6.045  -3.848
  913    HE2  PHE 117           HE2      PHE 117   8.302   7.766   0.057
  914    HZ   PHE 117           HZ       PHE 117   6.859   6.546  -1.556
  915    H    ASP 118           H        ASP 118  14.208   6.423  -4.563
  916    HA   ASP 118           HA       ASP 118  16.756   7.799  -4.225
  917   1HB   ASP 118          HB2       ASP 118  16.384   5.710  -5.563
  918   2HB   ASP 118          HB3       ASP 118  15.431   6.684  -6.692
  919    H    LYS 119           H        LYS 119  17.539   9.431  -5.786
  920    HA   LYS 119           HA       LYS 119  16.011  11.788  -5.777
  921   1HB   LYS 119          HB2       LYS 119  17.763  12.775  -7.101
  922   2HB   LYS 119          HB3       LYS 119  18.458  11.768  -5.843
  923   1HG   LYS 119          HG2       LYS 119  19.530  10.476  -7.280
  924   2HG   LYS 119          HG3       LYS 119  18.111  10.209  -8.285
  925   1HD   LYS 119          HD2       LYS 119  19.808  12.748  -8.438
  926   2HD   LYS 119          HD3       LYS 119  20.106  11.303  -9.419
  927   1HE   LYS 119          HE2       LYS 119  17.790  11.460 -10.338
  928   2HE   LYS 119          HE3       LYS 119  17.532  12.947  -9.419
  929   1HZ   LYS 119          HZ1       LYS 119  19.331  13.967 -10.707
  930   2HZ   LYS 119          HZ2       LYS 119  19.583  12.579 -11.536
  931   3HZ   LYS 119          HZ3       LYS 119  18.185  13.396 -11.709
  932    H    THR 120           H        THR 120  15.191   9.294  -7.716
  933    HA   THR 120           HA       THR 120  14.014  11.134  -9.741
  934    HB   THR 120           HB       THR 120  16.035   9.868 -10.492
  935    HG1  THR 120           HG1      THR 120  15.211   9.561 -12.492
  936   1HG2  THR 120          HG21      THR 120  15.587   7.675  -9.442
  937   2HG2  THR 120          HG22      THR 120  14.182   7.445 -10.508
  938   3HG2  THR 120          HG23      THR 120  15.820   7.533 -11.186
  939    H    GLY 121           H        GLY 121  13.205   9.459  -7.104
  940   1HA   GLY 121          HA2       GLY 121  11.042   9.265  -6.378
  941   2HA   GLY 121          HA3       GLY 121  10.447   9.305  -8.045
  942    H    GLN 122           H        GLN 122  12.859   6.933  -7.875
  943    HA   GLN 122           HA       GLN 122  10.844   4.807  -7.852
  944   1HB   GLN 122          HB2       GLN 122  12.721   3.255  -8.133
  945   2HB   GLN 122          HB3       GLN 122  12.612   4.464  -9.407
  946   1HG   GLN 122          HG2       GLN 122  14.468   5.722  -8.413
  947   2HG   GLN 122          HG3       GLN 122  14.599   4.536  -7.099
  948   1HE2  GLN 122          HE22      GLN 122  16.831   5.200  -8.735
  949   2HE2  GLN 122          HE21      GLN 122  17.201   3.789  -9.701
  950    H    LEU 123           H        LEU 123  10.091   4.035  -6.047
  951    HA   LEU 123           HA       LEU 123  10.926   4.617  -3.427
  952   1HB   LEU 123          HB2       LEU 123   8.723   3.680  -3.974
  953   2HB   LEU 123          HB3       LEU 123   9.470   2.195  -4.571
  954    HG   LEU 123           HG       LEU 123  10.282   1.669  -2.325
  955   1HD1  LEU 123          HD11      LEU 123   9.396   2.949  -0.366
  956   2HD1  LEU 123          HD12      LEU 123  10.412   3.972  -1.379
  957   3HD1  LEU 123          HD13      LEU 123   8.665   4.124  -1.484
  958   1HD2  LEU 123          HD21      LEU 123   7.321   2.166  -2.026
  959   2HD2  LEU 123          HD22      LEU 123   7.958   0.893  -3.083
  960   3HD2  LEU 123          HD23      LEU 123   8.298   0.871  -1.351
  961    H    ARG 124           H        ARG 124  12.505   3.824  -2.069
  962    HA   ARG 124           HA       ARG 124  14.210   1.587  -3.072
  963   1HB   ARG 124          HB2       ARG 124  14.967   4.091  -1.512
  964   2HB   ARG 124          HB3       ARG 124  16.044   2.727  -1.751
  965   1HG   ARG 124          HG2       ARG 124  14.885   4.490  -3.929
  966   2HG   ARG 124          HG3       ARG 124  16.541   4.512  -3.331
  967   1HD   ARG 124          HD2       ARG 124  15.180   2.312  -4.927
  968   2HD   ARG 124          HD3       ARG 124  16.474   3.370  -5.462
  969    HE   ARG 124           HE       ARG 124  17.978   2.316  -3.780
  970   1HH1  ARG 124          HH21      ARG 124  15.184   0.390  -4.904
  971   2HH1  ARG 124          HH22      ARG 124  15.884  -1.104  -4.392
  972   1HH2  ARG 124          HH11      ARG 124  18.872   0.470  -3.241
  973   2HH2  ARG 124          HH12      ARG 124  18.099  -1.092  -3.459
  974    H    HIS 125           H        HIS 125  12.403   2.798  -0.196
  975    HA   HIS 125           HA       HIS 125  12.646   0.113   0.886
  976   1HB   HIS 125          HB2       HIS 125  14.759   1.387   1.589
  977   2HB   HIS 125          HB3       HIS 125  13.721   2.489   2.464
  978    HD1  HIS 125           HD1      HIS 125  14.605  -1.333   2.536
  979    HD2  HIS 125           HD2      HIS 125  12.981   1.812   4.813
  980    HE1  HIS 125           HE1      HIS 125  14.423  -2.204   4.914
  981    H    PHE 126           H        PHE 126  11.242  -0.146   2.752
  982    HA   PHE 126           HA       PHE 126   9.560   2.102   3.606
  983   1HB   PHE 126          HB2       PHE 126   7.952   1.271   2.198
  984   2HB   PHE 126          HB3       PHE 126   8.606  -0.359   2.190
  985    HD1  PHE 126           HD1      PHE 126   7.003   2.017   4.664
  986    HD2  PHE 126           HD2      PHE 126   7.343  -2.031   3.207
  987    HE1  PHE 126           HE1      PHE 126   5.235   1.283   6.245
  988    HE2  PHE 126           HE2      PHE 126   5.603  -2.756   4.818
  989    HZ   PHE 126           HZ       PHE 126   4.544  -1.092   6.343
  990    H    GLN 127           H        GLN 127   9.317   2.023   5.780
  991    HA   GLN 127           HA       GLN 127   9.542  -0.479   7.268
  992   1HB   GLN 127          HB2       GLN 127  11.864   0.346   7.241
  993   2HB   GLN 127          HB3       GLN 127  11.351   1.941   7.760
  994   1HG   GLN 127          HG2       GLN 127  12.397   0.719   9.580
  995   2HG   GLN 127          HG3       GLN 127  10.719   1.015   9.974
  996   1HE2  GLN 127          HE22      GLN 127  13.160  -1.432   9.585
  997   2HE2  GLN 127          HE21      GLN 127  12.113  -2.817   9.791
  998    H    ALA 128           H        ALA 128   8.594  -0.112   9.493
  999    HA   ALA 128           HA       ALA 128   7.182   2.432   9.841
 1000   1HB   ALA 128          HB1       ALA 128   5.570   1.063   8.535
 1001   2HB   ALA 128          HB2       ALA 128   5.727  -0.260   9.710
 1002   3HB   ALA 128          HB3       ALA 128   4.993   1.279  10.195
 1003    H    GLY 129           H        GLY 129   6.415   2.719  11.962
 1004   1HA   GLY 129          HA2       GLY 129   6.562   2.658  14.244
 1005   2HA   GLY 129          HA3       GLY 129   6.210   0.937  14.040
 1006    H    GLY 130           H        GLY 130   9.177   2.847  13.260
 1007   1HA   GLY 130          HA2       GLY 130  10.833   0.800  14.654
 1008   2HA   GLY 130          HA3       GLY 130  11.402   2.011  13.497
 1009    H    SER 131           H        SER 131  12.038   1.346  16.457
 1010    HA   SER 131           HA       SER 131  11.159   3.256  18.221
 1011   1HB   SER 131          HB2       SER 131  13.955   2.063  18.129
 1012   2HB   SER 131          HB3       SER 131  13.070   2.636  19.557
 1013    HG   SER 131           HG       SER 131  12.966   0.353  19.311
 1014    H    GLY 132           H        GLY 132  11.073   5.390  17.794
 1015   1HA   GLY 132          HA2       GLY 132  11.622   7.511  17.182
 1016   2HA   GLY 132          HA3       GLY 132  13.219   7.164  17.854
 1017    H    MET 133           H        MET 133  11.852   5.478  14.995
 1018    HA   MET 133           HA       MET 133  12.707   5.127  12.940
 1019   1HB   MET 133          HB2       MET 133  13.519   8.022  12.846
 1020   2HB   MET 133          HB3       MET 133  13.053   6.967  11.513
 1021   1HG   MET 133          HG2       MET 133  10.730   6.893  12.556
 1022   2HG   MET 133          HG3       MET 133  11.268   8.206  13.608
 1023   1HE   MET 133          HE1       MET 133  13.333   9.555  11.196
 1024   2HE   MET 133          HE2       MET 133  12.286  10.928  10.818
 1025   3HE   MET 133          HE3       MET 133  12.506  10.427  12.509
 1026    H    LYS 134           H        LYS 134  14.831   5.001  15.277
 1027    HA   LYS 134           HA       LYS 134  17.199   6.124  14.198
 1028   1HB   LYS 134          HB2       LYS 134  16.716   3.928  16.238
 1029   2HB   LYS 134          HB3       LYS 134  18.348   4.434  15.827
 1030   1HG   LYS 134          HG2       LYS 134  16.341   6.554  16.647
 1031   2HG   LYS 134          HG3       LYS 134  17.033   5.498  17.868
 1032   1HD   LYS 134          HD2       LYS 134  18.288   7.565  17.751
 1033   2HD   LYS 134          HD3       LYS 134  19.299   6.187  17.311
 1034   1HE   LYS 134          HE2       LYS 134  19.043   6.759  14.907
 1035   2HE   LYS 134          HE3       LYS 134  18.009   8.131  15.339
 1036   1HZ   LYS 134          HZ1       LYS 134  20.856   7.827  16.106
 1037   2HZ   LYS 134          HZ2       LYS 134  20.294   8.780  14.905
 1038   3HZ   LYS 134          HZ3       LYS 134  19.911   9.117  16.471
 1039    H    MET 135           H        MET 135  15.723   3.033  13.400
 1040    HA   MET 135           HA       MET 135  18.055   1.979  12.036
 1041   1HB   MET 135          HB2       MET 135  16.100   0.620  12.838
 1042   2HB   MET 135          HB3       MET 135  15.097   1.366  11.597
 1043   1HG   MET 135          HG2       MET 135  17.471   0.330  10.313
 1044   2HG   MET 135          HG3       MET 135  16.894  -0.888  11.432
 1045   1HE   MET 135          HE1       MET 135  14.814   1.737   9.150
 1046   2HE   MET 135          HE2       MET 135  16.246   1.190   8.245
 1047   3HE   MET 135          HE3       MET 135  14.618   0.702   7.723
 1048    H    LEU 136           H        LEU 136  15.331   4.106  11.111
 1049    HA   LEU 136           HA       LEU 136  15.611   3.898   8.291
 1050   1HB   LEU 136          HB2       LEU 136  13.625   4.810   9.554
 1051   2HB   LEU 136          HB3       LEU 136  14.602   6.220   9.979
 1052    HG   LEU 136           HG       LEU 136  14.830   6.774   7.535
 1053   1HD1  LEU 136          HD11      LEU 136  12.946   4.406   7.236
 1054   2HD1  LEU 136          HD12      LEU 136  13.172   5.663   6.006
 1055   3HD1  LEU 136          HD13      LEU 136  14.541   4.642   6.474
 1056   1HD2  LEU 136          HD21      LEU 136  12.502   7.571   7.359
 1057   2HD2  LEU 136          HD22      LEU 136  12.102   6.606   8.806
 1058   3HD2  LEU 136          HD23      LEU 136  13.273   7.927   8.904
 1059    H    GLU 137           H        GLU 137  17.127   5.979  10.704
 1060    HA   GLU 137           HA       GLU 137  18.432   7.899   9.128
 1061   1HB   GLU 137          HB2       GLU 137  18.315   7.723  11.633
 1062   2HB   GLU 137          HB3       GLU 137  19.463   6.383  11.562
 1063   1HG   GLU 137          HG2       GLU 137  21.154   7.938  10.551
 1064   2HG   GLU 137          HG3       GLU 137  19.981   9.259  10.737
 1065    H    LYS 138           H        LYS 138  19.282   4.476   9.728
 1066    HA   LYS 138           HA       LYS 138  21.876   4.686   8.424
 1067   1HB   LYS 138          HB2       LYS 138  20.381   2.092   8.909
 1068   2HB   LYS 138          HB3       LYS 138  22.115   2.384   8.878
 1069   1HG   LYS 138          HG2       LYS 138  20.129   3.104  11.059
 1070   2HG   LYS 138          HG3       LYS 138  21.429   1.925  11.137
 1071   1HD   LYS 138          HD2       LYS 138  23.112   3.748  11.035
 1072   2HD   LYS 138          HD3       LYS 138  21.811   4.953  10.927
 1073   1HE   LYS 138          HE2       LYS 138  20.891   4.081  13.105
 1074   2HE   LYS 138          HE3       LYS 138  22.325   3.052  13.242
 1075   1HZ   LYS 138          HZ1       LYS 138  22.679   5.054  14.464
 1076   2HZ   LYS 138          HZ2       LYS 138  23.656   5.142  13.164
 1077   3HZ   LYS 138          HZ3       LYS 138  22.264   6.026  13.221
 1078    H    ARG 139           H        ARG 139  18.550   3.559   7.542
 1079    HA   ARG 139           HA       ARG 139  19.360   2.549   5.048
 1080   1HB   ARG 139          HB2       ARG 139  17.253   1.924   6.139
 1081   2HB   ARG 139          HB3       ARG 139  16.617   3.548   5.847
 1082   1HG   ARG 139          HG2       ARG 139  15.802   1.970   4.189
 1083   2HG   ARG 139          HG3       ARG 139  16.775   3.208   3.411
 1084   1HD   ARG 139          HD2       ARG 139  18.699   1.617   3.333
 1085   2HD   ARG 139          HD3       ARG 139  17.688   0.367   4.068
 1086    HE   ARG 139           HE       ARG 139  16.211   0.626   2.040
 1087   1HH1  ARG 139          HH11      ARG 139  19.708   1.074   1.836
 1088   2HH1  ARG 139          HH12      ARG 139  19.774   0.891   0.099
 1089   1HH2  ARG 139          HH21      ARG 139  16.313   0.350  -0.297
 1090   2HH2  ARG 139          HH22      ARG 139  17.869   0.392  -1.056
 1091    H    VAL 140           H        VAL 140  18.119   5.830   5.894
 1092    HA   VAL 140           HA       VAL 140  18.225   6.871   3.276
 1093    HB   VAL 140           HB       VAL 140  18.348   7.926   6.098
 1094   1HG1  VAL 140          HG11      VAL 140  18.620   9.778   3.705
 1095   2HG1  VAL 140          HG12      VAL 140  18.375  10.221   5.421
 1096   3HG1  VAL 140          HG13      VAL 140  19.876   9.476   4.928
 1097   1HG2  VAL 140          HG21      VAL 140  16.475   8.330   3.717
 1098   2HG2  VAL 140          HG22      VAL 140  16.210   7.209   5.073
 1099   3HG2  VAL 140          HG23      VAL 140  16.203   8.952   5.339
 1100    H    ASN 141           H        ASN 141  20.891   6.547   5.720
 1101    HA   ASN 141           HA       ASN 141  22.751   7.977   4.044
 1102   1HB   ASN 141          HB2       ASN 141  23.084   6.107   6.419
 1103   2HB   ASN 141          HB3       ASN 141  24.474   6.630   5.480
 1104   1HD2  ASN 141          HD22      ASN 141  21.831   7.832   7.587
 1105   2HD2  ASN 141          HD21      ASN 141  22.577   9.378   7.892
 1106    H    ARG 142           H        ARG 142  21.809   4.539   4.241
 1107    HA   ARG 142           HA       ARG 142  23.783   3.642   2.371
 1108   1HB   ARG 142          HB2       ARG 142  22.016   2.404   4.014
 1109   2HB   ARG 142          HB3       ARG 142  21.087   2.294   2.528
 1110   1HG   ARG 142          HG2       ARG 142  23.947   1.337   2.968
 1111   2HG   ARG 142          HG3       ARG 142  22.505   0.319   3.035
 1112   1HD   ARG 142          HD2       ARG 142  22.051   0.818   0.646
 1113   2HD   ARG 142          HD3       ARG 142  23.559   1.745   0.555
 1114    HE   ARG 142           HE       ARG 142  24.603  -0.477   1.410
 1115   1HH1  ARG 142          HH11      ARG 142  21.966  -0.263  -1.019
 1116   2HH1  ARG 142          HH12      ARG 142  22.451  -1.720  -1.811
 1117   1HH2  ARG 142          HH21      ARG 142  25.187  -2.395   0.331
 1118   2HH2  ARG 142          HH22      ARG 142  24.301  -2.945  -1.038
 1119    H    VAL 143           H        VAL 143  20.381   4.798   1.894
 1120    HA   VAL 143           HA       VAL 143  20.457   4.477  -0.939
 1121    HB   VAL 143           HB       VAL 143  18.750   6.224   0.850
 1122   1HG1  VAL 143          HG11      VAL 143  17.208   6.438  -1.115
 1123   2HG1  VAL 143          HG12      VAL 143  18.732   7.296  -1.344
 1124   3HG1  VAL 143          HG13      VAL 143  18.473   5.733  -2.148
 1125   1HG2  VAL 143          HG21      VAL 143  17.037   4.482   0.278
 1126   2HG2  VAL 143          HG22      VAL 143  18.264   3.606  -0.657
 1127   3HG2  VAL 143          HG23      VAL 143  18.430   3.783   1.099
 1128    H    LEU 144           H        LEU 144  21.641   7.176   1.127
 1129    HA   LEU 144           HA       LEU 144  22.305   8.885  -1.074
 1130   1HB   LEU 144          HB2       LEU 144  23.754   8.522   1.597
 1131   2HB   LEU 144          HB3       LEU 144  24.161   9.758   0.427
 1132    HG   LEU 144           HG       LEU 144  21.447   9.531   1.759
 1133   1HD1  LEU 144          HD11      LEU 144  23.769  11.399   2.399
 1134   2HD1  LEU 144          HD12      LEU 144  22.164  11.417   3.166
 1135   3HD1  LEU 144          HD13      LEU 144  23.247  10.035   3.398
 1136   1HD2  LEU 144          HD21      LEU 144  22.716  11.785   0.142
 1137   2HD2  LEU 144          HD22      LEU 144  21.409  10.733  -0.409
 1138   3HD2  LEU 144          HD23      LEU 144  21.122  11.830   0.939
 1139    H    ALA 145           H        ALA 145  24.224   6.300   0.553
 1140    HA   ALA 145           HA       ALA 145  26.467   6.497  -1.164
 1141   1HB   ALA 145          HB1       ALA 145  27.055   4.265  -0.377
 1142   2HB   ALA 145          HB2       ALA 145  26.443   5.237   0.976
 1143   3HB   ALA 145          HB3       ALA 145  25.411   3.996   0.224
 1144    H    GLU 146           H        GLU 146  23.350   4.852  -1.672
 1145    HA   GLU 146           HA       GLU 146  24.134   3.461  -4.080
 1146   1HB   GLU 146          HB2       GLU 146  21.424   4.272  -2.955
 1147   2HB   GLU 146          HB3       GLU 146  21.615   3.357  -4.445
 1148   1HG   GLU 146          HG2       GLU 146  22.656   1.510  -3.303
 1149   2HG   GLU 146          HG3       GLU 146  22.716   2.397  -1.784
 1150    H    THR 147           H        THR 147  23.589   6.861  -3.517
 1151    HA   THR 147           HA       THR 147  23.149   7.266  -6.410
 1152    HB   THR 147           HB       THR 147  21.129   7.262  -4.655
 1153    HG1  THR 147           HG1      THR 147  20.019   8.095  -6.238
 1154   1HG2  THR 147          HG21      THR 147  20.375   9.327  -3.892
 1155   2HG2  THR 147          HG22      THR 147  22.045   9.186  -3.317
 1156   3HG2  THR 147          HG23      THR 147  21.664  10.233  -4.706
 1157    H    GLU 148           H        GLU 148  25.499   7.614  -4.494
 1158    HA   GLU 148           HA       GLU 148  26.381  10.207  -5.602
 1159   1HB   GLU 148          HB2       GLU 148  25.642  10.612  -3.265
 1160   2HB   GLU 148          HB3       GLU 148  26.656   9.283  -2.708
 1161   1HG   GLU 148          HG2       GLU 148  27.838  11.251  -2.216
 1162   2HG   GLU 148          HG3       GLU 148  28.667  10.508  -3.573
  Start of MODEL   11
    1   1H    MET   1           H1       MET   1   1.827  -1.965  -4.931
    2   2H    MET   1           H2       MET   1   1.449  -0.993  -6.204
    3   3H    MET   1           H3       MET   1   2.734  -2.005  -6.283
    4    HA   MET   1           HA       MET   1   3.482   0.263  -5.939
    5   1HB   MET   1          HB2       MET   1   2.008   0.049  -3.272
    6   2HB   MET   1          HB3       MET   1   3.073   1.356  -3.783
    7   1HG   MET   1          HG2       MET   1   0.364   0.704  -4.867
    8   2HG   MET   1          HG3       MET   1   0.916   2.141  -3.999
    9   1HE   MET   1          HE1       MET   1   3.315   3.358  -5.194
   10   2HE   MET   1          HE2       MET   1   2.706   4.295  -6.570
   11   3HE   MET   1          HE3       MET   1   1.790   4.256  -5.039
   12    H    LYS   2           H        LYS   2   4.899   0.872  -3.886
   13    HA   LYS   2           HA       LYS   2   6.775   0.581  -2.784
   14   1HB   LYS   2          HB2       LYS   2   5.802  -2.165  -2.058
   15   2HB   LYS   2          HB3       LYS   2   7.056  -1.200  -1.254
   16   1HG   LYS   2          HG2       LYS   2   5.275   0.592  -0.861
   17   2HG   LYS   2          HG3       LYS   2   4.077  -0.589  -1.412
   18   1HD   LYS   2          HD2       LYS   2   4.831  -2.130   0.436
   19   2HD   LYS   2          HD3       LYS   2   5.905  -0.830   1.009
   20   1HE   LYS   2          HE2       LYS   2   3.836   0.680   1.111
   21   2HE   LYS   2          HE3       LYS   2   2.856  -0.744   0.760
   22   1HZ   LYS   2          HZ1       LYS   2   2.994  -0.259   3.120
   23   2HZ   LYS   2          HZ2       LYS   2   3.659  -1.726   2.821
   24   3HZ   LYS   2          HZ3       LYS   2   4.614  -0.420   3.125
   25    H    LEU   3           H        LEU   3   8.795  -0.180  -2.695
   26    HA   LEU   3           HA       LEU   3  10.759  -0.593  -3.585
   27   1HB   LEU   3          HB2       LEU   3   9.608  -3.339  -4.024
   28   2HB   LEU   3          HB3       LEU   3  11.311  -2.904  -3.831
   29    HG   LEU   3           HG       LEU   3   9.092  -2.606  -1.764
   30   1HD1  LEU   3          HD11      LEU   3  11.604  -4.336  -1.768
   31   2HD1  LEU   3          HD12      LEU   3  10.373  -4.268  -0.484
   32   3HD1  LEU   3          HD13      LEU   3   9.948  -4.903  -2.082
   33   1HD2  LEU   3          HD21      LEU   3  10.561  -0.696  -1.409
   34   2HD2  LEU   3          HD22      LEU   3  10.867  -1.898  -0.157
   35   3HD2  LEU   3          HD23      LEU   3  11.999  -1.742  -1.519
   36    H    ARG   4           H        ARG   4  11.144   0.653  -5.042
   37    HA   ARG   4           HA       ARG   4  11.732   1.601  -6.930
   38   1HB   ARG   4          HB2       ARG   4  11.547  -1.104  -8.300
   39   2HB   ARG   4          HB3       ARG   4  12.356   0.342  -8.896
   40   1HG   ARG   4          HG2       ARG   4  13.823   0.268  -6.786
   41   2HG   ARG   4          HG3       ARG   4  13.124  -1.325  -6.469
   42   1HD   ARG   4          HD2       ARG   4  15.207  -1.670  -7.601
   43   2HD   ARG   4          HD3       ARG   4  13.909  -2.064  -8.745
   44    HE   ARG   4           HE       ARG   4  14.768   0.708  -8.937
   45   1HH1  ARG   4          HH21      ARG   4  15.654  -2.562 -10.015
   46   2HH1  ARG   4          HH22      ARG   4  16.552  -2.003 -11.377
   47   1HH2  ARG   4          HH11      ARG   4  15.926   1.437 -10.655
   48   2HH2  ARG   4          HH12      ARG   4  16.710   0.360 -11.772
   49    H    GLN   5           H        GLN   5   8.766   1.352  -6.213
   50    HA   GLN   5           HA       GLN   5   7.589   1.706  -8.893
   51   1HB   GLN   5          HB2       GLN   5   5.546   2.347  -7.819
   52   2HB   GLN   5          HB3       GLN   5   6.132   0.823  -7.161
   53   1HG   GLN   5          HG2       GLN   5   5.305   1.966  -5.322
   54   2HG   GLN   5          HG3       GLN   5   7.030   2.194  -5.177
   55   1HE2  GLN   5          HE22      GLN   5   6.623   4.167  -3.915
   56   2HE2  GLN   5          HE21      GLN   5   5.983   5.616  -4.668
   57    HA   PRO   6           HA       PRO   6   8.944   6.016  -8.679
   58   1HB   PRO   6          HB2       PRO   6   7.917   7.000 -10.967
   59   2HB   PRO   6          HB3       PRO   6   9.229   5.780 -10.946
   60   1HG   PRO   6          HG2       PRO   6   6.279   5.336 -11.469
   61   2HG   PRO   6          HG3       PRO   6   7.684   4.607 -12.295
   62   1HD   PRO   6          HD2       PRO   6   6.227   3.448 -10.156
   63   2HD   PRO   6          HD3       PRO   6   7.875   2.965 -10.678
   64    H    MET   7           H        MET   7   7.995   7.088  -7.075
   65    HA   MET   7           HA       MET   7   5.733   7.326  -5.941
   66   1HB   MET   7          HB2       MET   7   6.017   9.700  -5.379
   67   2HB   MET   7          HB3       MET   7   7.416   8.658  -5.154
   68   1HG   MET   7          HG2       MET   7   8.470   9.552  -7.165
   69   2HG   MET   7          HG3       MET   7   7.055  10.542  -7.508
   70   1HE   MET   7          HE1       MET   7   9.870   9.855  -4.791
   71   2HE   MET   7          HE2       MET   7   9.732  11.296  -3.764
   72   3HE   MET   7          HE3       MET   7   8.434  10.080  -3.781
   73    HA   PRO   8           HA       PRO   8   2.740   8.035  -9.072
   74   1HB   PRO   8          HB2       PRO   8   0.405   7.849  -7.671
   75   2HB   PRO   8          HB3       PRO   8   1.514   6.469  -7.894
   76   1HG   PRO   8          HG2       PRO   8   1.359   8.327  -5.475
   77   2HG   PRO   8          HG3       PRO   8   1.349   6.541  -5.502
   78   1HD   PRO   8          HD2       PRO   8   3.636   7.951  -5.093
   79   2HD   PRO   8          HD3       PRO   8   3.635   6.428  -6.032
   80    H    GLU   9           H        GLU   9   1.432   9.795  -6.221
   81    HA   GLU   9           HA       GLU   9   1.350  12.404  -7.462
   82   1HB   GLU   9          HB2       GLU   9  -1.085  12.424  -7.447
   83   2HB   GLU   9          HB3       GLU   9  -0.469  11.117  -8.474
   84   1HG   GLU   9          HG2       GLU   9  -0.988   9.483  -6.616
   85   2HG   GLU   9          HG3       GLU   9  -1.815  10.791  -5.784
   86    H    LEU  10           H        LEU  10   1.418  13.852  -5.702
   87    HA   LEU  10           HA       LEU  10   1.142  12.726  -2.956
   88   1HB   LEU  10          HB2       LEU  10   3.477  14.415  -3.907
   89   2HB   LEU  10          HB3       LEU  10   3.278  13.662  -2.335
   90    HG   LEU  10           HG       LEU  10   3.802  12.211  -4.977
   91   1HD1  LEU  10          HD11      LEU  10   6.076  11.897  -4.031
   92   2HD1  LEU  10          HD12      LEU  10   5.684  13.598  -4.302
   93   3HD1  LEU  10          HD13      LEU  10   5.635  12.933  -2.658
   94   1HD2  LEU  10          HD21      LEU  10   2.722  10.614  -3.488
   95   2HD2  LEU  10          HD22      LEU  10   4.436  10.264  -3.532
   96   3HD2  LEU  10          HD23      LEU  10   3.762  11.120  -2.131
   97    H    THR  11           H        THR  11  -0.844  13.997  -2.592
   98    HA   THR  11           HA       THR  11  -0.540  16.781  -2.253
   99    HB   THR  11           HB       THR  11  -0.429  16.781  -4.743
  100    HG1  THR  11           HG1      THR  11  -1.854  18.406  -4.974
  101   1HG2  THR  11          HG21      THR  11  -1.842  14.802  -5.236
  102   2HG2  THR  11          HG22      THR  11  -3.276  15.683  -4.665
  103   3HG2  THR  11          HG23      THR  11  -2.389  16.244  -6.098
  104    H    GLY  12           H        GLY  12  -2.748  17.804  -1.872
  105   1HA   GLY  12          HA2       GLY  12  -4.992  16.251  -1.063
  106   2HA   GLY  12          HA3       GLY  12  -3.873  16.511   0.294
  107    H    GLU  13           H        GLU  13  -6.284  17.628   0.622
  108    HA   GLU  13           HA       GLU  13  -5.985  20.523  -0.056
  109   1HB   GLU  13          HB2       GLU  13  -7.547  19.168  -1.464
  110   2HB   GLU  13          HB3       GLU  13  -8.477  18.764  -0.023
  111   1HG   GLU  13          HG2       GLU  13  -9.043  21.143   0.305
  112   2HG   GLU  13          HG3       GLU  13  -7.986  21.605  -1.032
  113    H    LYS  14           H        LYS  14  -6.896  18.181   2.483
  114    HA   LYS  14           HA       LYS  14  -8.497  19.892   4.057
  115   1HB   LYS  14          HB2       LYS  14  -8.321  17.449   4.315
  116   2HB   LYS  14          HB3       LYS  14  -6.726  17.669   5.075
  117   1HG   LYS  14          HG2       LYS  14  -7.695  18.842   6.940
  118   2HG   LYS  14          HG3       LYS  14  -9.308  18.814   6.180
  119   1HD   LYS  14          HD2       LYS  14  -9.439  16.397   6.358
  120   2HD   LYS  14          HD3       LYS  14  -7.729  16.278   6.764
  121   1HE   LYS  14          HE2       LYS  14  -8.855  15.930   8.789
  122   2HE   LYS  14          HE3       LYS  14  -8.156  17.547   8.875
  123   1HZ   LYS  14          HZ1       LYS  14 -11.005  16.953   8.272
  124   2HZ   LYS  14          HZ2       LYS  14 -10.422  17.437   9.724
  125   3HZ   LYS  14          HZ3       LYS  14 -10.370  18.454   8.435
  126    H    ALA  15           H        ALA  15  -4.892  19.471   4.221
  127    HA   ALA  15           HA       ALA  15  -4.654  22.254   4.905
  128   1HB   ALA  15          HB1       ALA  15  -3.399  21.943   7.069
  129   2HB   ALA  15          HB2       ALA  15  -5.085  21.450   7.201
  130   3HB   ALA  15          HB3       ALA  15  -3.802  20.230   7.063
  131    H    TRP  16           H        TRP  16  -2.436  22.946   4.914
  132    HA   TRP  16           HA       TRP  16  -0.322  21.004   4.255
  133   1HB   TRP  16          HB2       TRP  16  -0.861  23.572   2.714
  134   2HB   TRP  16          HB3       TRP  16   0.706  22.777   2.797
  135    HD1  TRP  16           HD1      TRP  16  -2.841  22.169   1.417
  136    HE1  TRP  16           HE1      TRP  16  -2.731  20.505  -0.517
  137    HE3  TRP  16           HE3      TRP  16   2.085  20.844   1.780
  138    HZ2  TRP  16           HZ2      TRP  16  -0.688  19.002  -1.920
  139    HZ3  TRP  16           HZ3      TRP  16   3.086  19.259   0.138
  140    HH2  TRP  16           HH2      TRP  16   1.714  18.353  -1.725
  141    H    LEU  17           H        LEU  17   1.289  21.401   5.663
  142    HA   LEU  17           HA       LEU  17   1.138  23.879   7.340
  143   1HB   LEU  17          HB2       LEU  17   1.608  21.029   8.292
  144   2HB   LEU  17          HB3       LEU  17   1.606  22.471   9.295
  145    HG   LEU  17           HG       LEU  17  -0.814  21.313   7.828
  146   1HD1  LEU  17          HD11      LEU  17   0.039  21.255  10.748
  147   2HD1  LEU  17          HD12      LEU  17  -1.552  20.728  10.142
  148   3HD1  LEU  17          HD13      LEU  17  -0.079  19.884   9.630
  149   1HD2  LEU  17          HD21      LEU  17  -1.087  23.749   8.097
  150   2HD2  LEU  17          HD22      LEU  17  -2.157  22.878   9.199
  151   3HD2  LEU  17          HD23      LEU  17  -0.675  23.625   9.813
  152    H    ASN  18           H        ASN  18   3.058  24.750   7.774
  153    HA   ASN  18           HA       ASN  18   5.207  25.243   7.901
  154   1HB   ASN  18          HB2       ASN  18   5.546  22.255   8.214
  155   2HB   ASN  18          HB3       ASN  18   6.871  23.399   8.337
  156   1HD2  ASN  18          HD22      ASN  18   6.627  21.964  10.526
  157   2HD2  ASN  18          HD21      ASN  18   5.857  22.882  11.808
  158    H    GLY  19           H        GLY  19   4.126  23.520   5.138
  159   1HA   GLY  19          HA2       GLY  19   5.519  25.130   3.366
  160   2HA   GLY  19          HA3       GLY  19   6.549  23.706   3.584
  161    H    GLU  20           H        GLU  20   5.866  23.811   1.137
  162    HA   GLU  20           HA       GLU  20   3.885  21.685   0.741
  163   1HB   GLU  20          HB2       GLU  20   3.993  24.297  -0.869
  164   2HB   GLU  20          HB3       GLU  20   3.070  22.871  -1.340
  165   1HG   GLU  20          HG2       GLU  20   1.580  23.133   0.569
  166   2HG   GLU  20          HG3       GLU  20   2.541  24.475   1.196
  167    H    VAL  21           H        VAL  21   4.356  20.539  -1.324
  168    HA   VAL  21           HA       VAL  21   6.660  21.204  -2.874
  169    HB   VAL  21           HB       VAL  21   7.646  20.292  -0.707
  170   1HG1  VAL  21          HG11      VAL  21   5.949  18.510  -0.313
  171   2HG1  VAL  21          HG12      VAL  21   6.660  17.586  -1.657
  172   3HG1  VAL  21          HG13      VAL  21   7.627  17.968  -0.215
  173   1HG2  VAL  21          HG21      VAL  21   9.372  18.983  -1.764
  174   2HG2  VAL  21          HG22      VAL  21   8.386  18.771  -3.218
  175   3HG2  VAL  21          HG23      VAL  21   8.949  20.387  -2.750
  176    H    THR  22           H        THR  22   7.024  19.245  -4.491
  177    HA   THR  22           HA       THR  22   4.575  17.694  -5.055
  178    HB   THR  22           HB       THR  22   5.048  18.579  -7.510
  179    HG1  THR  22           HG1      THR  22   5.791  20.691  -7.557
  180   1HG2  THR  22          HG21      THR  22   3.664  20.404  -5.530
  181   2HG2  THR  22          HG22      THR  22   3.408  20.295  -7.293
  182   3HG2  THR  22          HG23      THR  22   2.959  18.930  -6.251
  183    H    ARG  23           H        ARG  23   5.019  16.049  -6.761
  184    HA   ARG  23           HA       ARG  23   7.563  14.795  -6.548
  185   1HB   ARG  23          HB2       ARG  23   6.643  13.149  -8.039
  186   2HB   ARG  23          HB3       ARG  23   5.395  13.622  -6.889
  187   1HG   ARG  23          HG2       ARG  23   4.399  15.136  -8.637
  188   2HG   ARG  23          HG3       ARG  23   5.612  14.583  -9.788
  189   1HD   ARG  23          HD2       ARG  23   3.468  12.898  -8.448
  190   2HD   ARG  23          HD3       ARG  23   3.485  13.414 -10.132
  191    HE   ARG  23           HE       ARG  23   4.740  11.117  -8.993
  192   1HH1  ARG  23          HH11      ARG  23   5.255  13.458 -11.627
  193   2HH1  ARG  23          HH12      ARG  23   6.175  12.354 -12.580
  194   1HH2  ARG  23          HH21      ARG  23   5.903   9.725 -10.183
  195   2HH2  ARG  23          HH22      ARG  23   6.576  10.145 -11.736
  196    H    GLU  24           H        GLU  24   7.245  17.613  -8.043
  197    HA   GLU  24           HA       GLU  24   9.404  16.849  -9.989
  198   1HB   GLU  24          HB2       GLU  24   8.669  18.737 -11.404
  199   2HB   GLU  24          HB3       GLU  24   7.343  17.598 -11.164
  200   1HG   GLU  24          HG2       GLU  24   6.363  19.058  -9.420
  201   2HG   GLU  24          HG3       GLU  24   7.705  20.178  -9.562
  202    H    GLN  25           H        GLN  25   8.926  18.084  -7.076
  203    HA   GLN  25           HA       GLN  25  11.092  20.135  -7.178
  204   1HB   GLN  25          HB2       GLN  25   8.716  20.952  -7.044
  205   2HB   GLN  25          HB3       GLN  25   8.511  20.021  -5.553
  206   1HG   GLN  25          HG2       GLN  25  10.274  21.411  -4.486
  207   2HG   GLN  25          HG3       GLN  25  10.426  22.336  -5.987
  208   1HE2  GLN  25          HE22      GLN  25   7.082  21.658  -5.771
  209   2HE2  GLN  25          HE21      GLN  25   6.621  23.104  -4.912
  210    H    LEU  26           H        LEU  26   9.425  17.515  -5.454
  211    HA   LEU  26           HA       LEU  26  11.221  17.262  -3.226
  212   1HB   LEU  26          HB2       LEU  26   8.747  16.568  -3.462
  213   2HB   LEU  26          HB3       LEU  26   9.301  15.277  -4.524
  214    HG   LEU  26           HG       LEU  26  10.579  14.314  -2.628
  215   1HD1  LEU  26          HD11      LEU  26  10.148  15.102  -0.331
  216   2HD1  LEU  26          HD12      LEU  26  10.909  16.381  -1.273
  217   3HD1  LEU  26          HD13      LEU  26   9.167  16.441  -0.957
  218   1HD2  LEU  26          HD21      LEU  26   8.563  13.503  -1.416
  219   2HD2  LEU  26          HD22      LEU  26   7.607  14.799  -2.164
  220   3HD2  LEU  26          HD23      LEU  26   8.330  13.524  -3.167
  221    H    ILE  27           H        ILE  27  11.486  16.460  -6.584
  222    HA   ILE  27           HA       ILE  27  13.803  14.730  -6.094
  223    HB   ILE  27           HB       ILE  27  12.775  13.412  -8.147
  224   1HG1  ILE  27          HG12      ILE  27  10.161  13.904  -6.683
  225   2HG1  ILE  27          HG13      ILE  27  10.631  14.733  -8.170
  226   1HG2  ILE  27          HG21      ILE  27  13.545  12.559  -5.861
  227   2HG2  ILE  27          HG22      ILE  27  11.851  12.668  -5.346
  228   3HG2  ILE  27          HG23      ILE  27  12.343  11.592  -6.679
  229   1HD1  ILE  27          HD11      ILE  27  10.862  12.620  -9.362
  230   2HD1  ILE  27          HD12      ILE  27  10.510  11.702  -7.887
  231   3HD1  ILE  27          HD13      ILE  27   9.252  12.697  -8.611
  232    H    GLY  28           H        GLY  28  14.764  14.149  -8.311
  233   1HA   GLY  28          HA2       GLY  28  15.221  14.908 -10.546
  234   2HA   GLY  28          HA3       GLY  28  14.887  16.575 -10.040
  235    H    GLU  29           H        GLU  29  16.386  15.689  -7.378
  236    HA   GLU  29           HA       GLU  29  19.167  16.080  -8.401
  237   1HB   GLU  29          HB2       GLU  29  17.766  18.206  -8.083
  238   2HB   GLU  29          HB3       GLU  29  17.757  17.840  -6.358
  239   1HG   GLU  29          HG2       GLU  29  20.287  17.878  -6.392
  240   2HG   GLU  29          HG3       GLU  29  20.235  18.281  -8.108
  241    H    LYS  30           H        LYS  30  17.066  15.507  -5.502
  242    HA   LYS  30           HA       LYS  30  19.373  14.216  -4.132
  243   1HB   LYS  30          HB2       LYS  30  17.365  16.226  -3.009
  244   2HB   LYS  30          HB3       LYS  30  18.501  15.302  -2.032
  245   1HG   LYS  30          HG2       LYS  30  20.403  16.409  -3.161
  246   2HG   LYS  30          HG3       LYS  30  19.271  17.347  -4.163
  247   1HD   LYS  30          HD2       LYS  30  18.295  18.387  -2.155
  248   2HD   LYS  30          HD3       LYS  30  19.318  17.385  -1.121
  249   1HE   LYS  30          HE2       LYS  30  20.578  19.262  -1.067
  250   2HE   LYS  30          HE3       LYS  30  21.310  18.492  -2.473
  251   1HZ   LYS  30          HZ1       LYS  30  20.823  20.818  -2.874
  252   2HZ   LYS  30          HZ2       LYS  30  19.880  19.944  -3.877
  253   3HZ   LYS  30          HZ3       LYS  30  19.244  20.628  -2.530
  254    HA   PRO  31           HA       PRO  31  16.265  11.099  -3.272
  255   1HB   PRO  31          HB2       PRO  31  17.273   9.933  -0.992
  256   2HB   PRO  31          HB3       PRO  31  17.956   9.686  -2.622
  257   1HG   PRO  31          HG2       PRO  31  18.892  11.604  -0.488
  258   2HG   PRO  31          HG3       PRO  31  19.874  10.484  -1.485
  259   1HD   PRO  31          HD2       PRO  31  19.595  13.131  -2.095
  260   2HD   PRO  31          HD3       PRO  31  19.712  11.889  -3.368
  261    H    THR  32           H        THR  32  14.801  10.420  -1.402
  262    HA   THR  32           HA       THR  32  14.025  12.758   0.273
  263    HB   THR  32           HB       THR  32  12.768  11.537  -2.160
  264    HG1  THR  32           HG1      THR  32  12.724  13.657  -2.653
  265   1HG2  THR  32          HG21      THR  32  10.568  12.330  -1.706
  266   2HG2  THR  32          HG22      THR  32  10.974  11.178  -0.466
  267   3HG2  THR  32          HG23      THR  32  11.031  12.916  -0.082
  268    H    LEU  33           H        LEU  33  12.460  12.366   1.857
  269    HA   LEU  33           HA       LEU  33  11.809   9.551   2.547
  270   1HB   LEU  33          HB2       LEU  33  13.433  10.307   4.202
  271   2HB   LEU  33          HB3       LEU  33  12.602  11.860   4.374
  272    HG   LEU  33           HG       LEU  33  10.661  10.776   5.427
  273   1HD1  LEU  33          HD11      LEU  33  10.516   8.629   4.369
  274   2HD1  LEU  33          HD12      LEU  33  12.129   8.162   4.907
  275   3HD1  LEU  33          HD13      LEU  33  10.792   8.334   6.073
  276   1HD2  LEU  33          HD21      LEU  33  13.234   9.781   6.701
  277   2HD2  LEU  33          HD22      LEU  33  12.506  11.388   6.919
  278   3HD2  LEU  33          HD23      LEU  33  11.659   9.962   7.504
  279    H    ILE  34           H        ILE  34   9.615   9.334   2.380
  280    HA   ILE  34           HA       ILE  34   7.879  11.682   3.002
  281    HB   ILE  34           HB       ILE  34   7.138   9.202   1.413
  282   1HG1  ILE  34          HG12      ILE  34   7.859  11.994   0.406
  283   2HG1  ILE  34          HG13      ILE  34   8.728  10.509   0.082
  284   1HG2  ILE  34          HG21      ILE  34   5.265  10.262   2.654
  285   2HG2  ILE  34          HG22      ILE  34   5.608  11.808   1.853
  286   3HG2  ILE  34          HG23      ILE  34   5.048  10.402   0.923
  287   1HD1  ILE  34          HD11      ILE  34   6.671   9.642  -1.094
  288   2HD1  ILE  34          HD12      ILE  34   6.000  11.285  -0.963
  289   3HD1  ILE  34          HD13      ILE  34   7.499  11.012  -1.868
  290    H    HIS  35           H        HIS  35   6.548  11.285   4.865
  291    HA   HIS  35           HA       HIS  35   6.401   8.468   5.746
  292   1HB   HIS  35          HB2       HIS  35   7.213   8.794   7.856
  293   2HB   HIS  35          HB3       HIS  35   8.361   9.672   6.870
  294    HD1  HIS  35           HD1      HIS  35   6.006   9.999   9.747
  295    HD2  HIS  35           HD2      HIS  35   8.150  12.485   7.110
  296    HE1  HIS  35           HE1      HIS  35   6.064  12.285  10.818
  297    H    PHE  36           H        PHE  36   4.807   8.010   7.292
  298    HA   PHE  36           HA       PHE  36   2.365   9.691   7.026
  299   1HB   PHE  36          HB2       PHE  36   2.811   6.725   6.798
  300   2HB   PHE  36          HB3       PHE  36   1.289   7.351   7.393
  301    HD1  PHE  36           HD1      PHE  36   3.618   7.713   4.454
  302    HD2  PHE  36           HD2      PHE  36  -0.427   7.950   5.947
  303    HE1  PHE  36           HE1      PHE  36   2.770   7.952   2.139
  304    HE2  PHE  36           HE2      PHE  36  -1.265   8.216   3.630
  305    HZ   PHE  36           HZ       PHE  36   0.320   8.179   1.726
  306    H    TRP  37           H        TRP  37   1.377  10.137   9.056
  307    HA   TRP  37           HA       TRP  37   1.984   8.503  11.410
  308   1HB   TRP  37          HB2       TRP  37   3.010  10.347  12.686
  309   2HB   TRP  37          HB3       TRP  37   4.010   9.849  11.341
  310    HD1  TRP  37           HD1      TRP  37   3.630  11.446   9.043
  311    HE1  TRP  37           HE1      TRP  37   3.419  14.007   8.885
  312    HE3  TRP  37           HE3      TRP  37   2.746  12.499  13.967
  313    HZ2  TRP  37           HZ2      TRP  37   2.988  16.235  10.686
  314    HZ3  TRP  37           HZ3      TRP  37   2.645  14.842  14.742
  315    HH2  TRP  37           HH2      TRP  37   2.671  16.718  13.113
  316    H    SER  38           H        SER  38   0.979   9.591  13.401
  317    HA   SER  38           HA       SER  38  -1.453  11.177  12.930
  318   1HB   SER  38          HB2       SER  38  -1.353   8.291  13.899
  319   2HB   SER  38          HB3       SER  38  -2.739   9.354  14.168
  320    HG   SER  38           HG       SER  38  -2.812   9.649  11.853
  321    H    ILE  39           H        ILE  39  -1.812  12.433  14.830
  322    HA   ILE  39           HA       ILE  39   0.249  12.470  16.838
  323    HB   ILE  39           HB       ILE  39  -0.955  14.148  17.963
  324   1HG1  ILE  39          HG12      ILE  39  -3.404  13.816  16.183
  325   2HG1  ILE  39          HG13      ILE  39  -3.295  13.315  17.875
  326   1HG2  ILE  39          HG21      ILE  39  -1.447  14.816  15.062
  327   2HG2  ILE  39          HG22      ILE  39  -0.902  15.872  16.355
  328   3HG2  ILE  39          HG23      ILE  39   0.204  14.646  15.729
  329   1HD1  ILE  39          HD11      ILE  39  -4.357  15.438  17.870
  330   2HD1  ILE  39          HD12      ILE  39  -2.714  15.720  18.458
  331   3HD1  ILE  39          HD13      ILE  39  -3.154  16.140  16.782
  332    H    SER  40           H        SER  40  -2.839  10.797  16.572
  333    HA   SER  40           HA       SER  40  -3.252  10.182  19.270
  334   1HB   SER  40          HB2       SER  40  -3.968   8.562  16.794
  335   2HB   SER  40          HB3       SER  40  -4.662   8.323  18.410
  336    HG   SER  40           HG       SER  40  -5.229  10.137  16.507
  337    H    CYS  41           H        CYS  41  -0.597   8.880  17.392
  338    HA   CYS  41           HA       CYS  41  -0.585   6.398  19.065
  339   1HB   CYS  41          HB2       CYS  41   0.783   6.929  16.416
  340   2HB   CYS  41          HB3       CYS  41   0.680   5.384  17.264
  341    HG   CYS  41           HG       CYS  41  -1.928   5.182  17.171
  342    H    HIS  42           H        HIS  42   1.056   6.136  20.518
  343    HA   HIS  42           HA       HIS  42   2.741   8.305  21.112
  344   1HB   HIS  42          HB2       HIS  42   2.020   6.648  22.765
  345   2HB   HIS  42          HB3       HIS  42   2.960   5.389  21.957
  346    HD1  HIS  42           HD1      HIS  42   3.693   8.793  23.741
  347    HD2  HIS  42           HD2      HIS  42   5.374   5.028  22.872
  348    HE1  HIS  42           HE1      HIS  42   5.941   8.720  24.929
  349    H    LEU  43           H        LEU  43   3.502   5.320  19.243
  350    HA   LEU  43           HA       LEU  43   6.278   5.873  18.991
  351   1HB   LEU  43          HB2       LEU  43   4.305   4.136  17.531
  352   2HB   LEU  43          HB3       LEU  43   5.799   4.548  16.692
  353    HG   LEU  43           HG       LEU  43   7.171   3.716  18.487
  354   1HD1  LEU  43          HD11      LEU  43   5.877   4.117  20.480
  355   2HD1  LEU  43          HD12      LEU  43   4.600   2.992  19.936
  356   3HD1  LEU  43          HD13      LEU  43   6.216   2.392  20.369
  357   1HD2  LEU  43          HD21      LEU  43   6.672   1.311  18.222
  358   2HD2  LEU  43          HD22      LEU  43   5.040   1.709  17.634
  359   3HD2  LEU  43          HD23      LEU  43   6.479   2.181  16.699
  360    H    CYS  44           H        CYS  44   3.506   7.265  17.216
  361    HA   CYS  44           HA       CYS  44   5.131   8.622  15.246
  362   1HB   CYS  44          HB2       CYS  44   2.476   9.486  16.455
  363   2HB   CYS  44          HB3       CYS  44   3.250  10.175  15.037
  364    HG   CYS  44           HG       CYS  44   1.090   8.380  14.879
  365    H    LYS  45           H        LYS  45   3.946   9.538  18.559
  366    HA   LYS  45           HA       LYS  45   5.192  12.104  18.491
  367   1HB   LYS  45          HB2       LYS  45   4.759  10.415  20.977
  368   2HB   LYS  45          HB3       LYS  45   4.930  12.173  20.855
  369   1HG   LYS  45          HG2       LYS  45   2.518  10.540  20.003
  370   2HG   LYS  45          HG3       LYS  45   2.640  11.737  21.287
  371   1HD   LYS  45          HD2       LYS  45   3.386  13.292  19.152
  372   2HD   LYS  45          HD3       LYS  45   2.410  12.085  18.317
  373   1HE   LYS  45          HE2       LYS  45   0.925  13.880  18.861
  374   2HE   LYS  45          HE3       LYS  45   0.548  12.607  20.020
  375   1HZ   LYS  45          HZ1       LYS  45   2.246  14.977  20.581
  376   2HZ   LYS  45          HZ2       LYS  45   0.711  14.765  21.088
  377   3HZ   LYS  45          HZ3       LYS  45   1.888  13.802  21.664
  378    H    GLU  46           H        GLU  46   6.695   9.013  18.954
  379    HA   GLU  46           HA       GLU  46   9.117  10.182  20.191
  380   1HB   GLU  46          HB2       GLU  46   8.386   7.398  19.179
  381   2HB   GLU  46          HB3       GLU  46   9.894   7.787  20.000
  382   1HG   GLU  46          HG2       GLU  46   7.180   8.331  21.314
  383   2HG   GLU  46          HG3       GLU  46   7.933   6.739  21.362
  384    H    ALA  47           H        ALA  47   8.016   8.759  17.082
  385    HA   ALA  47           HA       ALA  47  10.459   9.155  15.658
  386   1HB   ALA  47          HB1       ALA  47   9.065   8.915  13.651
  387   2HB   ALA  47          HB2       ALA  47   8.596   7.696  14.855
  388   3HB   ALA  47          HB3       ALA  47   7.588   9.140  14.611
  389    H    MET  48           H        MET  48   7.655  11.322  16.268
  390    HA   MET  48           HA       MET  48   8.374  13.258  14.456
  391   1HB   MET  48          HB2       MET  48   6.833  13.524  17.089
  392   2HB   MET  48          HB3       MET  48   7.041  14.819  15.898
  393   1HG   MET  48          HG2       MET  48   5.229  12.521  15.833
  394   2HG   MET  48          HG3       MET  48   5.065  14.103  15.149
  395   1HE   MET  48          HE1       MET  48   5.483  14.681  12.591
  396   2HE   MET  48          HE2       MET  48   7.099  14.708  13.328
  397   3HE   MET  48          HE3       MET  48   6.863  13.938  11.758
  398    HA   PRO  49           HA       PRO  49  11.174  15.672  17.447
  399   1HB   PRO  49          HB2       PRO  49  12.416  14.027  19.396
  400   2HB   PRO  49          HB3       PRO  49  11.224  15.337  19.673
  401   1HG   PRO  49          HG2       PRO  49  10.826  12.384  19.597
  402   2HG   PRO  49          HG3       PRO  49   9.911  13.611  20.514
  403   1HD   PRO  49          HD2       PRO  49   8.972  12.416  18.219
  404   2HD   PRO  49          HD3       PRO  49   8.510  14.069  18.711
  405    H    GLN  50           H        GLN  50  11.668  12.113  16.771
  406    HA   GLN  50           HA       GLN  50  14.411  12.696  16.080
  407   1HB   GLN  50          HB2       GLN  50  13.123  10.341  16.568
  408   2HB   GLN  50          HB3       GLN  50  13.312  10.264  14.813
  409   1HG   GLN  50          HG2       GLN  50  15.688  11.155  16.481
  410   2HG   GLN  50          HG3       GLN  50  15.203   9.473  16.589
  411   1HE2  GLN  50          HE22      GLN  50  15.037   8.231  14.518
  412   2HE2  GLN  50          HE21      GLN  50  16.209   8.592  13.253
  413    H    VAL  51           H        VAL  51  11.412  12.758  14.188
  414    HA   VAL  51           HA       VAL  51  12.545  13.137  11.620
  415    HB   VAL  51           HB       VAL  51   9.977  14.268  12.805
  416   1HG1  VAL  51          HG11      VAL  51  10.608  15.610  10.840
  417   2HG1  VAL  51          HG12      VAL  51  10.791  14.127   9.881
  418   3HG1  VAL  51          HG13      VAL  51   9.200  14.589  10.524
  419   1HG2  VAL  51          HG21      VAL  51  10.209  11.977  10.825
  420   2HG2  VAL  51          HG22      VAL  51  10.070  11.715  12.561
  421   3HG2  VAL  51          HG23      VAL  51   8.772  12.534  11.702
  422    H    ASN  52           H        ASN  52  12.069  15.420  14.421
  423    HA   ASN  52           HA       ASN  52  12.903  17.727  12.997
  424   1HB   ASN  52          HB2       ASN  52  12.313  18.636  14.870
  425   2HB   ASN  52          HB3       ASN  52  12.187  17.096  15.688
  426   1HD2  ASN  52          HD22      ASN  52  14.000  16.387  17.034
  427   2HD2  ASN  52          HD21      ASN  52  15.171  17.566  17.599
  428    H    GLU  53           H        GLU  53  14.950  15.393  14.947
  429    HA   GLU  53           HA       GLU  53  17.267  17.003  14.193
  430   1HB   GLU  53          HB2       GLU  53  18.642  15.346  15.274
  431   2HB   GLU  53          HB3       GLU  53  17.347  15.925  16.318
  432   1HG   GLU  53          HG2       GLU  53  16.120  13.894  16.098
  433   2HG   GLU  53          HG3       GLU  53  17.147  13.319  14.778
  434    H    PHE  54           H        PHE  54  15.609  14.225  12.756
  435    HA   PHE  54           HA       PHE  54  17.691  13.335  11.001
  436   1HB   PHE  54          HB2       PHE  54  15.749  11.973  11.524
  437   2HB   PHE  54          HB3       PHE  54  14.655  13.238  10.979
  438    HD1  PHE  54           HD1      PHE  54  14.430  13.824   8.592
  439    HD2  PHE  54           HD2      PHE  54  16.744  10.444   9.940
  440    HE1  PHE  54           HE1      PHE  54  14.503  12.946   6.272
  441    HE2  PHE  54           HE2      PHE  54  16.742   9.531   7.636
  442    HZ   PHE  54           HZ       PHE  54  15.647  10.821   5.785
  443    H    ARG  55           H        ARG  55  14.986  15.686  10.734
  444    HA   ARG  55           HA       ARG  55  15.599  16.541   8.140
  445   1HB   ARG  55          HB2       ARG  55  13.503  17.085   8.976
  446   2HB   ARG  55          HB3       ARG  55  14.099  17.709  10.480
  447   1HG   ARG  55          HG2       ARG  55  14.394  19.151   7.807
  448   2HG   ARG  55          HG3       ARG  55  13.053  19.362   8.922
  449   1HD   ARG  55          HD2       ARG  55  15.889  20.305   9.232
  450   2HD   ARG  55          HD3       ARG  55  14.389  21.205   9.391
  451    HE   ARG  55           HE       ARG  55  15.272  19.095  11.319
  452   1HH1  ARG  55          HH11      ARG  55  13.506  22.220  11.001
  453   2HH1  ARG  55          HH12      ARG  55  13.549  22.430  12.731
  454   1HH2  ARG  55          HH21      ARG  55  15.264  19.569  13.515
  455   2HH2  ARG  55          HH22      ARG  55  14.443  21.005  14.088
  456    H    ASP  56           H        ASP  56  17.062  17.562  11.290
  457    HA   ASP  56           HA       ASP  56  18.441  19.779   9.996
  458   1HB   ASP  56          HB2       ASP  56  17.864  19.900  12.308
  459   2HB   ASP  56          HB3       ASP  56  18.754  18.405  12.655
  460    H    LYS  57           H        LYS  57  19.156  16.400  10.835
  461    HA   LYS  57           HA       LYS  57  21.916  16.513  10.204
  462   1HB   LYS  57          HB2       LYS  57  19.896  14.252  10.368
  463   2HB   LYS  57          HB3       LYS  57  21.569  13.945   9.911
  464   1HG   LYS  57          HG2       LYS  57  22.420  14.832  11.996
  465   2HG   LYS  57          HG3       LYS  57  20.822  15.330  12.519
  466   1HD   LYS  57          HD2       LYS  57  21.768  12.450  12.142
  467   2HD   LYS  57          HD3       LYS  57  21.542  13.309  13.673
  468   1HE   LYS  57          HE2       LYS  57  19.096  13.649  12.904
  469   2HE   LYS  57          HE3       LYS  57  19.425  12.395  11.699
  470   1HZ   LYS  57          HZ1       LYS  57  19.939  10.887  13.588
  471   2HZ   LYS  57          HZ2       LYS  57  19.560  12.098  14.656
  472   3HZ   LYS  57          HZ3       LYS  57  18.424  11.469  13.690
  473    H    TYR  58           H        TYR  58  19.049  16.270   8.103
  474    HA   TYR  58           HA       TYR  58  20.885  15.657   5.832
  475   1HB   TYR  58          HB2       TYR  58  18.157  14.468   6.354
  476   2HB   TYR  58          HB3       TYR  58  19.201  14.125   4.986
  477    HD1  TYR  58           HD1      TYR  58  21.790  13.506   5.822
  478    HD2  TYR  58           HD2      TYR  58  18.110  12.719   7.920
  479    HE1  TYR  58           HE1      TYR  58  22.888  11.650   7.033
  480    HE2  TYR  58           HE2      TYR  58  19.194  10.857   9.138
  481    HH   TYR  58           HH       TYR  58  21.156   9.626   9.438
  482    H    GLN  59           H        GLN  59  18.638  18.081   6.781
  483    HA   GLN  59           HA       GLN  59  17.115  18.208   4.491
  484   1HB   GLN  59          HB2       GLN  59  16.415  20.354   5.048
  485   2HB   GLN  59          HB3       GLN  59  16.678  19.545   6.554
  486   1HG   GLN  59          HG2       GLN  59  18.654  21.535   5.309
  487   2HG   GLN  59          HG3       GLN  59  17.349  21.969   6.402
  488   1HE2  GLN  59          HE22      GLN  59  20.330  19.892   6.329
  489   2HE2  GLN  59          HE21      GLN  59  20.549  19.963   8.066
  490    H    ASP  60           H        ASP  60  20.424  18.686   4.275
  491    HA   ASP  60           HA       ASP  60  20.182  20.509   1.916
  492   1HB   ASP  60          HB2       ASP  60  21.512  21.403   3.814
  493   2HB   ASP  60          HB3       ASP  60  22.585  20.009   3.706
  494    H    GLN  61           H        GLN  61  20.201  17.341   2.636
  495    HA   GLN  61           HA       GLN  61  21.901  16.524   0.324
  496   1HB   GLN  61          HB2       GLN  61  21.626  14.955   2.901
  497   2HB   GLN  61          HB3       GLN  61  22.725  14.690   1.556
  498   1HG   GLN  61          HG2       GLN  61  24.250  15.675   2.871
  499   2HG   GLN  61          HG3       GLN  61  23.564  17.187   2.314
  500   1HE2  GLN  61          HE22      GLN  61  24.065  15.069   5.015
  501   2HE2  GLN  61          HE21      GLN  61  23.124  15.936   6.217
  502    H    LEU  62           H        LEU  62  18.858  16.212   2.092
  503    HA   LEU  62           HA       LEU  62  17.691  14.458   0.132
  504   1HB   LEU  62          HB2       LEU  62  18.531  12.714   1.434
  505   2HB   LEU  62          HB3       LEU  62  18.417  13.589   2.937
  506    HG   LEU  62           HG       LEU  62  15.795  12.940   1.631
  507   1HD1  LEU  62          HD11      LEU  62  16.974  10.861   1.213
  508   2HD1  LEU  62          HD12      LEU  62  17.492  10.793   2.904
  509   3HD1  LEU  62          HD13      LEU  62  15.771  10.653   2.493
  510   1HD2  LEU  62          HD21      LEU  62  16.804  12.680   4.489
  511   2HD2  LEU  62          HD22      LEU  62  15.972  14.102   3.826
  512   3HD2  LEU  62          HD23      LEU  62  15.119  12.558   3.923
  513    H    ASN  63           H        ASN  63  15.354  14.551   0.419
  514    HA   ASN  63           HA       ASN  63  14.491  17.051   1.816
  515   1HB   ASN  63          HB2       ASN  63  12.908  15.484  -0.236
  516   2HB   ASN  63          HB3       ASN  63  12.617  17.114   0.341
  517   1HD2  ASN  63          HD21      ASN  63  14.662  15.094  -1.735
  518   2HD2  ASN  63          HD22      ASN  63  15.424  16.411  -2.598
  519    H    VAL  64           H        VAL  64  12.475  16.934   3.032
  520    HA   VAL  64           HA       VAL  64  11.599  14.228   3.825
  521    HB   VAL  64           HB       VAL  64  11.567  16.434   5.858
  522   1HG1  VAL  64          HG11      VAL  64  11.780  14.569   7.404
  523   2HG1  VAL  64          HG12      VAL  64  10.549  14.155   6.194
  524   3HG1  VAL  64          HG13      VAL  64  12.171  13.460   6.066
  525   1HG2  VAL  64          HG21      VAL  64  14.136  14.931   5.227
  526   2HG2  VAL  64          HG22      VAL  64  13.891  16.688   5.272
  527   3HG2  VAL  64          HG23      VAL  64  13.805  15.770   6.769
  528    H    VAL  65           H        VAL  65   9.333  14.101   3.879
  529    HA   VAL  65           HA       VAL  65   7.774  16.511   4.159
  530    HB   VAL  65           HB       VAL  65   8.016  16.525   1.734
  531   1HG1  VAL  65          HG11      VAL  65   7.289  14.661   0.305
  532   2HG1  VAL  65          HG12      VAL  65   8.646  14.176   1.333
  533   3HG1  VAL  65          HG13      VAL  65   6.995  13.667   1.743
  534   1HG2  VAL  65          HG21      VAL  65   5.766  17.120   2.557
  535   2HG2  VAL  65          HG22      VAL  65   5.737  16.402   0.945
  536   3HG2  VAL  65          HG23      VAL  65   5.242  15.435   2.335
  537    H    ALA  66           H        ALA  66   5.543  15.925   4.781
  538    HA   ALA  66           HA       ALA  66   5.250  13.052   5.500
  539   1HB   ALA  66          HB1       ALA  66   4.582  15.250   7.455
  540   2HB   ALA  66          HB2       ALA  66   4.835  13.498   7.719
  541   3HB   ALA  66          HB3       ALA  66   6.203  14.538   7.333
  542    H    VAL  67           H        VAL  67   3.192  12.402   6.219
  543    HA   VAL  67           HA       VAL  67   0.909  13.812   4.940
  544    HB   VAL  67           HB       VAL  67   1.533  10.828   4.748
  545   1HG1  VAL  67          HG11      VAL  67  -0.349  12.665   3.206
  546   2HG1  VAL  67          HG12      VAL  67  -0.129  10.927   2.909
  547   3HG1  VAL  67          HG13      VAL  67  -0.823  11.473   4.440
  548   1HG2  VAL  67          HG21      VAL  67   2.210  12.994   2.722
  549   2HG2  VAL  67          HG22      VAL  67   3.335  11.868   3.514
  550   3HG2  VAL  67          HG23      VAL  67   2.158  11.255   2.357
  551    H    HIS  68           H        HIS  68  -0.335  14.319   6.724
  552    HA   HIS  68           HA       HIS  68  -0.114  12.613   9.110
  553   1HB   HIS  68          HB2       HIS  68  -0.143  15.205   9.082
  554   2HB   HIS  68          HB3       HIS  68  -1.891  15.048   8.892
  555    HD1  HIS  68           HD1      HIS  68   0.890  14.532  11.433
  556    HD2  HIS  68           HD2      HIS  68  -3.203  13.652  10.950
  557    HE1  HIS  68           HE1      HIS  68   0.064  13.734  13.671
  558    H    MET  69           H        MET  69  -1.358  10.787   9.150
  559    HA   MET  69           HA       MET  69  -3.745  10.524   7.500
  560   1HB   MET  69          HB2       MET  69  -2.226   8.633   7.896
  561   2HB   MET  69          HB3       MET  69  -2.615   8.680   9.620
  562   1HG   MET  69          HG2       MET  69  -4.978   8.202   9.120
  563   2HG   MET  69          HG3       MET  69  -4.633   8.225   7.388
  564   1HE   MET  69          HE1       MET  69  -6.204   5.950   8.936
  565   2HE   MET  69          HE2       MET  69  -5.901   5.863   7.185
  566   3HE   MET  69          HE3       MET  69  -5.520   4.473   8.227
  567    HA   PRO  70           HA       PRO  70  -6.333  12.070  10.947
  568   1HB   PRO  70          HB2       PRO  70  -8.731  12.213   9.710
  569   2HB   PRO  70          HB3       PRO  70  -7.400  13.342   9.328
  570   1HG   PRO  70          HG2       PRO  70  -8.144  10.801   7.829
  571   2HG   PRO  70          HG3       PRO  70  -7.897  12.445   7.158
  572   1HD   PRO  70          HD2       PRO  70  -5.913  10.566   7.181
  573   2HD   PRO  70          HD3       PRO  70  -5.575  12.311   7.421
  574    H    ARG  71           H        ARG  71  -5.473   9.729  11.461
  575    HA   ARG  71           HA       ARG  71  -6.908   7.346  10.964
  576   1HB   ARG  71          HB2       ARG  71  -4.613   7.422  11.715
  577   2HB   ARG  71          HB3       ARG  71  -5.086   8.229  13.206
  578   1HG   ARG  71          HG2       ARG  71  -6.490   6.062  13.706
  579   2HG   ARG  71          HG3       ARG  71  -5.513   5.332  12.416
  580   1HD   ARG  71          HD2       ARG  71  -3.474   6.015  13.631
  581   2HD   ARG  71          HD3       ARG  71  -4.448   6.797  14.875
  582    HE   ARG  71           HE       ARG  71  -3.918   3.947  14.524
  583   1HH1  ARG  71          HH21      ARG  71  -6.139   6.285  16.105
  584   2HH1  ARG  71          HH22      ARG  71  -6.534   5.200  17.383
  585   1HH2  ARG  71          HH11      ARG  71  -4.521   2.531  16.213
  586   2HH2  ARG  71          HH12      ARG  71  -5.630   3.028  17.431
  587    H    SER  72           H        SER  72  -7.189   9.706  13.637
  588    HA   SER  72           HA       SER  72  -9.665   8.368  14.609
  589   1HB   SER  72          HB2       SER  72  -7.832   9.633  16.560
  590   2HB   SER  72          HB3       SER  72  -8.740   8.120  16.688
  591    HG   SER  72           HG       SER  72  -6.271   8.689  15.434
  592    H    GLU  73           H        GLU  73 -10.781   9.910  16.255
  593    HA   GLU  73           HA       GLU  73 -11.350  12.365  14.981
  594   1HB   GLU  73          HB2       GLU  73 -12.959  11.231  16.223
  595   2HB   GLU  73          HB3       GLU  73 -12.022  11.353  17.735
  596   1HG   GLU  73          HG2       GLU  73 -12.328  13.803  17.725
  597   2HG   GLU  73          HG3       GLU  73 -13.147  13.714  16.160
  598    H    ASP  74           H        ASP  74  -8.865  11.594  17.416
  599    HA   ASP  74           HA       ASP  74  -8.371  14.375  18.006
  600   1HB   ASP  74          HB2       ASP  74  -7.668  12.264  19.392
  601   2HB   ASP  74          HB3       ASP  74  -6.248  12.259  18.336
  602    H    ASP  75           H        ASP  75  -7.380  12.219  15.412
  603    HA   ASP  75           HA       ASP  75  -5.163  13.940  14.510
  604   1HB   ASP  75          HB2       ASP  75  -6.412  11.524  13.153
  605   2HB   ASP  75          HB3       ASP  75  -4.845  12.259  12.805
  606    H    LEU  76           H        LEU  76  -8.508  13.962  14.285
  607    HA   LEU  76           HA       LEU  76  -8.837  14.341  11.454
  608   1HB   LEU  76          HB2       LEU  76 -10.363  13.548  13.648
  609   2HB   LEU  76          HB3       LEU  76 -11.119  15.063  13.192
  610    HG   LEU  76           HG       LEU  76 -10.631  12.633  11.401
  611   1HD1  LEU  76          HD11      LEU  76 -12.327  12.167  13.123
  612   2HD1  LEU  76          HD12      LEU  76 -13.185  13.666  12.715
  613   3HD1  LEU  76          HD13      LEU  76 -13.096  12.331  11.544
  614   1HD2  LEU  76          HD21      LEU  76 -12.173  13.741   9.795
  615   2HD2  LEU  76          HD22      LEU  76 -12.176  15.196  10.820
  616   3HD2  LEU  76          HD23      LEU  76 -10.680  14.652  10.024
  617    H    ASP  77           H        ASP  77  -7.557  16.522  13.574
  618    HA   ASP  77           HA       ASP  77  -8.979  18.884  12.417
  619   1HB   ASP  77          HB2       ASP  77  -9.651  18.470  14.730
  620   2HB   ASP  77          HB3       ASP  77  -7.956  18.529  15.228
  621    HA   PRO  78           HA       PRO  78  -4.693  19.569  11.114
  622   1HB   PRO  78          HB2       PRO  78  -5.932  22.117  10.137
  623   2HB   PRO  78          HB3       PRO  78  -4.740  21.023   9.354
  624   1HG   PRO  78          HG2       PRO  78  -7.369  20.920   8.645
  625   2HG   PRO  78          HG3       PRO  78  -6.431  19.404   8.881
  626   1HD   PRO  78          HD2       PRO  78  -8.314  20.766  10.830
  627   2HD   PRO  78          HD3       PRO  78  -8.198  19.034  10.393
  628    H    GLY  79           H        GLY  79  -6.491  21.496  13.433
  629   1HA   GLY  79          HA2       GLY  79  -4.425  23.588  13.705
  630   2HA   GLY  79          HA3       GLY  79  -5.923  23.389  14.644
  631    H    LYS  80           H        LYS  80  -5.698  20.642  15.300
  632    HA   LYS  80           HA       LYS  80  -3.805  20.600  17.491
  633   1HB   LYS  80          HB2       LYS  80  -5.183  18.308  16.014
  634   2HB   LYS  80          HB3       LYS  80  -4.250  18.149  17.507
  635   1HG   LYS  80          HG2       LYS  80  -5.817  19.541  18.732
  636   2HG   LYS  80          HG3       LYS  80  -6.753  19.868  17.254
  637   1HD   LYS  80          HD2       LYS  80  -7.250  17.489  16.995
  638   2HD   LYS  80          HD3       LYS  80  -6.274  17.089  18.420
  639   1HE   LYS  80          HE2       LYS  80  -7.779  18.582  19.796
  640   2HE   LYS  80          HE3       LYS  80  -8.783  18.854  18.362
  641   1HZ   LYS  80          HZ1       LYS  80  -8.269  16.199  19.579
  642   2HZ   LYS  80          HZ2       LYS  80  -9.618  17.097  19.859
  643   3HZ   LYS  80          HZ3       LYS  80  -9.333  16.525  18.354
  644    H    ILE  81           H        ILE  81  -3.753  19.289  14.141
  645    HA   ILE  81           HA       ILE  81  -1.237  18.008  14.416
  646    HB   ILE  81           HB       ILE  81  -2.585  19.082  11.911
  647   1HG1  ILE  81          HG12      ILE  81  -2.521  16.235  12.992
  648   2HG1  ILE  81          HG13      ILE  81  -3.849  17.321  13.322
  649   1HG2  ILE  81          HG21      ILE  81  -1.079  17.514  10.691
  650   2HG2  ILE  81          HG22      ILE  81  -0.104  18.639  11.624
  651   3HG2  ILE  81          HG23      ILE  81  -0.350  17.003  12.229
  652   1HD1  ILE  81          HD11      ILE  81  -4.431  17.501  10.981
  653   2HD1  ILE  81          HD12      ILE  81  -3.032  16.516  10.508
  654   3HD1  ILE  81          HD13      ILE  81  -4.338  15.808  11.454
  655    H    LYS  82           H        LYS  82  -1.910  21.291  12.838
  656    HA   LYS  82           HA       LYS  82   0.634  22.169  12.690
  657   1HB   LYS  82          HB2       LYS  82  -1.390  23.377  11.940
  658   2HB   LYS  82          HB3       LYS  82  -1.850  23.695  13.604
  659   1HG   LYS  82          HG2       LYS  82  -0.873  25.655  12.502
  660   2HG   LYS  82          HG3       LYS  82   0.042  25.170  13.938
  661   1HD   LYS  82          HD2       LYS  82   1.700  24.025  12.407
  662   2HD   LYS  82          HD3       LYS  82   0.773  24.642  11.035
  663   1HE   LYS  82          HE2       LYS  82   1.084  26.989  12.096
  664   2HE   LYS  82          HE3       LYS  82   2.256  26.233  13.177
  665   1HZ   LYS  82          HZ1       LYS  82   3.505  25.567  11.119
  666   2HZ   LYS  82          HZ2       LYS  82   2.444  26.446  10.232
  667   3HZ   LYS  82          HZ3       LYS  82   3.391  27.184  11.327
  668    H    GLU  83           H        GLU  83  -1.328  22.459  15.739
  669    HA   GLU  83           HA       GLU  83   0.700  23.828  17.153
  670   1HB   GLU  83          HB2       GLU  83  -1.687  23.695  17.792
  671   2HB   GLU  83          HB3       GLU  83  -1.494  21.986  18.209
  672   1HG   GLU  83          HG2       GLU  83   0.108  22.582  19.988
  673   2HG   GLU  83          HG3       GLU  83   0.041  24.280  19.510
  674    H    THR  84           H        THR  84   0.027  20.325  16.870
  675    HA   THR  84           HA       THR  84   2.033  19.412  18.682
  676    HB   THR  84           HB       THR  84   0.622  18.158  16.277
  677    HG1  THR  84           HG1      THR  84  -0.855  18.647  17.727
  678   1HG2  THR  84          HG21      THR  84   1.091  15.974  17.524
  679   2HG2  THR  84          HG22      THR  84   2.422  16.748  16.646
  680   3HG2  THR  84          HG23      THR  84   2.316  16.889  18.426
  681    H    ALA  85           H        ALA  85   2.040  19.656  15.103
  682    HA   ALA  85           HA       ALA  85   4.681  18.915  14.611
  683   1HB   ALA  85          HB1       ALA  85   2.953  19.107  12.887
  684   2HB   ALA  85          HB2       ALA  85   2.863  20.869  13.120
  685   3HB   ALA  85          HB3       ALA  85   4.328  20.141  12.447
  686    H    ALA  86           H        ALA  86   3.395  22.204  15.252
  687    HA   ALA  86           HA       ALA  86   5.751  23.681  14.937
  688   1HB   ALA  86          HB1       ALA  86   3.491  24.648  15.398
  689   2HB   ALA  86          HB2       ALA  86   3.617  24.065  17.082
  690   3HB   ALA  86          HB3       ALA  86   4.738  25.299  16.484
  691    H    GLU  87           H        GLU  87   4.746  21.651  17.687
  692    HA   GLU  87           HA       GLU  87   6.891  22.638  19.437
  693   1HB   GLU  87          HB2       GLU  87   4.682  20.565  19.683
  694   2HB   GLU  87          HB3       GLU  87   5.974  20.709  20.890
  695   1HG   GLU  87          HG2       GLU  87   5.388  23.142  21.149
  696   2HG   GLU  87          HG3       GLU  87   4.005  22.894  20.087
  697    H    HIS  88           H        HIS  88   6.154  19.688  17.519
  698    HA   HIS  88           HA       HIS  88   8.560  18.312  18.137
  699   1HB   HIS  88          HB2       HIS  88   6.717  18.185  15.725
  700   2HB   HIS  88          HB3       HIS  88   8.001  17.024  16.062
  701    HD1  HIS  88           HD1      HIS  88   7.390  16.731  19.250
  702    HD2  HIS  88           HD2      HIS  88   4.669  16.511  16.036
  703    HE1  HIS  88           HE1      HIS  88   5.443  15.339  20.058
  704    H    ASP  89           H        ASP  89   8.264  21.180  16.264
  705    HA   ASP  89           HA       ASP  89   9.728  22.394  15.108
  706   1HB   ASP  89          HB2       ASP  89  11.300  21.728  16.998
  707   2HB   ASP  89          HB3       ASP  89  11.980  20.517  15.911
  708    H    ILE  90           H        ILE  90   8.354  20.113  13.863
  709    HA   ILE  90           HA       ILE  90  10.192  19.166  11.788
  710    HB   ILE  90           HB       ILE  90   8.174  17.888  11.031
  711   1HG1  ILE  90          HG12      ILE  90   6.943  18.926  13.631
  712   2HG1  ILE  90          HG13      ILE  90   6.399  19.351  12.016
  713   1HG2  ILE  90          HG21      ILE  90   8.533  16.245  12.774
  714   2HG2  ILE  90          HG22      ILE  90  10.045  17.129  12.542
  715   3HG2  ILE  90          HG23      ILE  90   9.026  17.499  13.932
  716   1HD1  ILE  90          HD11      ILE  90   6.048  16.797  11.682
  717   2HD1  ILE  90          HD12      ILE  90   6.193  16.729  13.470
  718   3HD1  ILE  90          HD13      ILE  90   4.914  17.675  12.714
  719    H    THR  91           H        THR  91  10.736  21.225  11.070
  720    HA   THR  91           HA       THR  91   8.890  23.086   9.898
  721    HB   THR  91           HB       THR  91  11.030  24.189   9.145
  722    HG1  THR  91           HG1      THR  91  12.416  22.554   8.825
  723   1HG2  THR  91          HG21      THR  91  10.118  24.632  11.412
  724   2HG2  THR  91          HG22      THR  91  11.070  23.285  12.064
  725   3HG2  THR  91          HG23      THR  91  11.888  24.698  11.371
  726    H    GLN  92           H        GLN  92   9.841  20.113   8.776
  727    HA   GLN  92           HA       GLN  92  10.315  20.450   6.024
  728   1HB   GLN  92          HB2       GLN  92   9.389  18.112   5.874
  729   2HB   GLN  92          HB3       GLN  92  10.663  18.291   7.081
  730   1HG   GLN  92          HG2       GLN  92   9.125  18.188   8.896
  731   2HG   GLN  92          HG3       GLN  92   7.734  18.474   7.862
  732   1HE2  GLN  92          HE22      GLN  92   7.439  16.441   9.594
  733   2HE2  GLN  92          HE21      GLN  92   7.594  14.896   8.782
  734    HA   PRO  93           HA       PRO  93   6.097  21.382   4.566
  735   1HB   PRO  93          HB2       PRO  93   5.929  19.893   2.236
  736   2HB   PRO  93          HB3       PRO  93   6.828  21.436   2.363
  737   1HG   PRO  93          HG2       PRO  93   7.940  18.636   2.575
  738   2HG   PRO  93          HG3       PRO  93   8.567  20.005   1.604
  739   1HD   PRO  93          HD2       PRO  93   9.636  19.416   4.019
  740   2HD   PRO  93          HD3       PRO  93   9.378  21.112   3.544
  741    H    ILE  94           H        ILE  94   4.120  20.429   5.104
  742    HA   ILE  94           HA       ILE  94   3.943  17.483   5.477
  743    HB   ILE  94           HB       ILE  94   3.220  19.675   7.472
  744   1HG1  ILE  94          HG12      ILE  94   5.234  17.408   7.756
  745   2HG1  ILE  94          HG13      ILE  94   5.609  19.097   7.438
  746   1HG2  ILE  94          HG21      ILE  94   2.711  16.676   7.709
  747   2HG2  ILE  94          HG22      ILE  94   2.425  17.882   8.985
  748   3HG2  ILE  94          HG23      ILE  94   1.479  17.939   7.520
  749   1HD1  ILE  94          HD11      ILE  94   4.656  19.776   9.603
  750   2HD1  ILE  94          HD12      ILE  94   4.432  18.053  10.012
  751   3HD1  ILE  94          HD13      ILE  94   6.054  18.700   9.720
  752    H    PHE  95           H        PHE  95   1.780  16.763   5.003
  753    HA   PHE  95           HA       PHE  95  -0.222  18.882   4.739
  754   1HB   PHE  95          HB2       PHE  95  -0.882  18.518   2.587
  755   2HB   PHE  95          HB3       PHE  95   0.860  18.514   2.482
  756    HD1  PHE  95           HD1      PHE  95  -2.193  16.632   1.962
  757    HD2  PHE  95           HD2      PHE  95   2.112  16.366   2.041
  758    HE1  PHE  95           HE1      PHE  95  -2.284  14.591   0.570
  759    HE2  PHE  95           HE2      PHE  95   2.008  14.310   0.649
  760    HZ   PHE  95           HZ       PHE  95  -0.208  13.414  -0.088
  761    H    VAL  96           H        VAL  96  -2.342  18.096   4.497
  762    HA   VAL  96           HA       VAL  96  -2.887  15.490   5.812
  763    HB   VAL  96           HB       VAL  96  -4.317  18.074   6.534
  764   1HG1  VAL  96          HG11      VAL  96  -5.009  16.851   8.519
  765   2HG1  VAL  96          HG12      VAL  96  -5.381  15.899   7.073
  766   3HG1  VAL  96          HG13      VAL  96  -3.984  15.471   8.063
  767   1HG2  VAL  96          HG21      VAL  96  -2.051  18.617   7.200
  768   2HG2  VAL  96          HG22      VAL  96  -2.997  18.247   8.638
  769   3HG2  VAL  96          HG23      VAL  96  -1.850  17.048   7.983
  770    H    ASP  97           H        ASP  97  -4.757  14.559   4.888
  771    HA   ASP  97           HA       ASP  97  -6.619  16.294   3.421
  772   1HB   ASP  97          HB2       ASP  97  -4.905  15.506   1.785
  773   2HB   ASP  97          HB3       ASP  97  -5.420  13.854   2.134
  774    H    SER  98           H        SER  98  -8.703  15.345   3.183
  775    HA   SER  98           HA       SER  98  -9.534  13.576   5.225
  776   1HB   SER  98          HB2       SER  98 -10.987  14.246   2.642
  777   2HB   SER  98          HB3       SER  98 -11.694  13.845   4.220
  778    HG   SER  98           HG       SER  98 -11.714  16.100   3.797
  779    H    ASP  99           H        ASP  99  -8.162  12.928   2.057
  780    HA   ASP  99           HA       ASP  99  -8.862  10.034   2.301
  781   1HB   ASP  99          HB2       ASP  99 -10.318  11.161   0.664
  782   2HB   ASP  99          HB3       ASP  99  -8.906  11.804  -0.172
  783    H    HIS 100           H        HIS 100  -6.596  12.473   0.942
  784    HA   HIS 100           HA       HIS 100  -4.502  12.545   0.443
  785   1HB   HIS 100          HB2       HIS 100  -4.105   9.758   1.589
  786   2HB   HIS 100          HB3       HIS 100  -2.848  10.803   0.953
  787    HD1  HIS 100           HD1      HIS 100  -4.618  10.150   4.157
  788    HD2  HIS 100           HD2      HIS 100  -2.787  13.365   2.190
  789    HE1  HIS 100           HE1      HIS 100  -4.105  11.899   5.941
  790    H    ALA 101           H        ALA 101  -3.879  12.587  -1.601
  791    HA   ALA 101           HA       ALA 101  -5.172  11.030  -3.591
  792   1HB   ALA 101          HB1       ALA 101  -2.482  12.459  -3.752
  793   2HB   ALA 101          HB2       ALA 101  -3.571  12.049  -5.099
  794   3HB   ALA 101          HB3       ALA 101  -4.070  13.255  -3.909
  795    H    LEU 102           H        LEU 102  -2.547  10.256  -1.470
  796    HA   LEU 102           HA       LEU 102  -1.252   8.266  -3.169
  797   1HB   LEU 102          HB2       LEU 102  -1.051   8.818  -0.163
  798   2HB   LEU 102          HB3       LEU 102  -0.424   7.343  -0.905
  799    HG   LEU 102           HG       LEU 102   0.765   8.786  -2.587
  800   1HD1  LEU 102          HD11      LEU 102   1.444  11.073  -1.572
  801   2HD1  LEU 102          HD12      LEU 102  -0.233  10.976  -2.126
  802   3HD1  LEU 102          HD13      LEU 102   0.151  10.854  -0.391
  803   1HD2  LEU 102          HD21      LEU 102   2.749   8.951  -1.248
  804   2HD2  LEU 102          HD22      LEU 102   1.816   9.023   0.254
  805   3HD2  LEU 102          HD23      LEU 102   1.863   7.521  -0.705
  806    H    THR 103           H        THR 103  -3.953   8.263  -0.802
  807    HA   THR 103           HA       THR 103  -3.975   5.451  -0.445
  808    HB   THR 103           HB       THR 103  -6.184   7.437  -0.488
  809    HG1  THR 103           HG1      THR 103  -5.542   8.132   1.385
  810   1HG2  THR 103          HG21      THR 103  -7.083   5.140  -0.124
  811   2HG2  THR 103          HG22      THR 103  -6.007   4.962   1.288
  812   3HG2  THR 103          HG23      THR 103  -7.306   6.163   1.297
  813    H    ASP 104           H        ASP 104  -4.944   7.452  -3.250
  814    HA   ASP 104           HA       ASP 104  -6.644   5.333  -4.319
  815   1HB   ASP 104          HB2       ASP 104  -6.883   7.716  -4.987
  816   2HB   ASP 104          HB3       ASP 104  -5.249   7.673  -5.683
  817    H    ALA 105           H        ALA 105  -3.243   5.927  -4.078
  818    HA   ALA 105           HA       ALA 105  -2.636   3.923  -6.212
  819   1HB   ALA 105          HB1       ALA 105  -0.793   5.745  -4.614
  820   2HB   ALA 105          HB2       ALA 105  -0.337   4.675  -5.958
  821   3HB   ALA 105          HB3       ALA 105  -1.400   6.060  -6.255
  822    H    PHE 106           H        PHE 106  -2.230   4.534  -2.675
  823    HA   PHE 106           HA       PHE 106  -0.920   1.862  -2.381
  824   1HB   PHE 106          HB2       PHE 106  -1.005   4.368  -0.652
  825   2HB   PHE 106          HB3       PHE 106  -0.338   2.843  -0.115
  826    HD1  PHE 106           HD1      PHE 106   0.193   5.679  -2.453
  827    HD2  PHE 106           HD2      PHE 106   1.842   2.082  -0.743
  828    HE1  PHE 106           HE1      PHE 106   2.459   6.383  -3.161
  829    HE2  PHE 106           HE2      PHE 106   4.110   2.791  -1.455
  830    HZ   PHE 106           HZ       PHE 106   4.422   4.951  -2.647
  831    H    GLU 107           H        GLU 107  -3.963   3.447  -1.781
  832    HA   GLU 107           HA       GLU 107  -5.552   3.269  -0.228
  833   1HB   GLU 107          HB2       GLU 107  -5.597   1.231  -1.831
  834   2HB   GLU 107          HB3       GLU 107  -5.305   0.288  -0.359
  835   1HG   GLU 107          HG2       GLU 107  -7.302   1.514   0.669
  836   2HG   GLU 107          HG3       GLU 107  -7.545   2.308  -0.892
  837    H    ASN 108           H        ASN 108  -3.552   4.133   1.012
  838    HA   ASN 108           HA       ASN 108  -2.163   3.067   3.041
  839   1HB   ASN 108          HB2       ASN 108  -1.853   5.360   2.560
  840   2HB   ASN 108          HB3       ASN 108  -3.570   5.715   2.737
  841   1HD2  ASN 108          HD22      ASN 108  -3.884   7.040   4.491
  842   2HD2  ASN 108          HD21      ASN 108  -3.156   6.760   6.065
  843    H    GLU 109           H        GLU 109  -2.383   2.239   5.004
  844    HA   GLU 109           HA       GLU 109  -4.510   2.974   6.767
  845   1HB   GLU 109          HB2       GLU 109  -5.475   1.058   5.300
  846   2HB   GLU 109          HB3       GLU 109  -4.352  -0.004   6.142
  847   1HG   GLU 109          HG2       GLU 109  -5.432   0.699   8.324
  848   2HG   GLU 109          HG3       GLU 109  -6.507   1.757   7.418
  849    H    TYR 110           H        TYR 110  -1.691   3.462   6.856
  850    HA   TYR 110           HA       TYR 110  -0.704   1.725   8.985
  851   1HB   TYR 110          HB2       TYR 110   1.490   1.841   7.747
  852   2HB   TYR 110          HB3       TYR 110   0.249   0.779   7.089
  853    HD1  TYR 110           HD1      TYR 110   1.703   4.218   6.559
  854    HD2  TYR 110           HD2      TYR 110  -0.256   0.812   4.788
  855    HE1  TYR 110           HE1      TYR 110   1.770   5.341   4.382
  856    HE2  TYR 110           HE2      TYR 110  -0.094   1.883   2.564
  857    HH   TYR 110           HH       TYR 110   0.560   3.799   1.375
  858    H    VAL 111           H        VAL 111   0.225   2.823  10.467
  859    HA   VAL 111           HA       VAL 111   1.754   5.213  10.076
  860    HB   VAL 111           HB       VAL 111   0.591   6.490  11.971
  861   1HG1  VAL 111          HG11      VAL 111  -1.090   6.502   9.476
  862   2HG1  VAL 111          HG12      VAL 111  -0.676   7.822  10.563
  863   3HG1  VAL 111          HG13      VAL 111   0.571   7.129   9.519
  864   1HG2  VAL 111          HG21      VAL 111  -1.026   4.801  12.747
  865   2HG2  VAL 111          HG22      VAL 111  -1.821   6.280  12.212
  866   3HG2  VAL 111          HG23      VAL 111  -1.849   4.850  11.167
  867    HA   PRO 112           HA       PRO 112   3.180   6.390  11.186
  868   1HB   PRO 112          HB2       PRO 112   5.780   6.256  12.067
  869   2HB   PRO 112          HB3       PRO 112   4.477   7.057  12.980
  870   1HG   PRO 112          HG2       PRO 112   5.602   4.275  13.362
  871   2HG   PRO 112          HG3       PRO 112   5.189   5.492  14.609
  872   1HD   PRO 112          HD2       PRO 112   3.509   3.414  13.960
  873   2HD   PRO 112          HD3       PRO 112   2.882   5.020  14.442
  874    H    ALA 113           H        ALA 113   4.468   6.291   9.184
  875    HA   ALA 113           HA       ALA 113   6.004   3.802   8.731
  876   1HB   ALA 113          HB1       ALA 113   3.858   4.660   6.769
  877   2HB   ALA 113          HB2       ALA 113   5.020   3.346   6.540
  878   3HB   ALA 113          HB3       ALA 113   3.777   3.205   7.803
  879    H    TYR 114           H        TYR 114   7.500   3.916   7.070
  880    HA   TYR 114           HA       TYR 114   8.263   6.707   6.298
  881   1HB   TYR 114          HB2       TYR 114  10.182   4.534   7.141
  882   2HB   TYR 114          HB3       TYR 114  10.458   6.266   7.068
  883    HD1  TYR 114           HD1      TYR 114   8.756   7.632   8.764
  884    HD2  TYR 114           HD2      TYR 114  10.126   3.580   9.250
  885    HE1  TYR 114           HE1      TYR 114   8.184   7.739  11.173
  886    HE2  TYR 114           HE2      TYR 114   9.663   3.711  11.672
  887    HH   TYR 114           HH       TYR 114   8.944   5.055  13.431
  888    H    TYR 115           H        TYR 115   8.999   6.914   4.191
  889    HA   TYR 115           HA       TYR 115   9.513   4.459   2.568
  890   1HB   TYR 115          HB2       TYR 115   7.741   6.885   2.023
  891   2HB   TYR 115          HB3       TYR 115   8.215   5.712   0.809
  892    HD1  TYR 115           HD1      TYR 115   6.097   6.233   3.835
  893    HD2  TYR 115           HD2      TYR 115   7.252   3.543   0.690
  894    HE1  TYR 115           HE1      TYR 115   4.187   4.753   4.394
  895    HE2  TYR 115           HE2      TYR 115   5.362   2.064   1.221
  896    HH   TYR 115           HH       TYR 115   3.081   2.734   3.898
  897    H    VAL 116           H        VAL 116  11.469   4.636   1.516
  898    HA   VAL 116           HA       VAL 116  12.824   7.300   1.568
  899    HB   VAL 116           HB       VAL 116  14.124   4.542   1.572
  900   1HG1  VAL 116          HG11      VAL 116  15.235   7.325   2.184
  901   2HG1  VAL 116          HG12      VAL 116  16.142   5.802   2.311
  902   3HG1  VAL 116          HG13      VAL 116  15.578   6.364   0.734
  903   1HG2  VAL 116          HG21      VAL 116  14.651   4.957   3.974
  904   2HG2  VAL 116          HG22      VAL 116  13.565   6.365   3.941
  905   3HG2  VAL 116          HG23      VAL 116  12.926   4.724   3.685
  906    H    PHE 117           H        PHE 117  13.478   8.112  -0.385
  907    HA   PHE 117           HA       PHE 117  13.002   6.403  -2.775
  908   1HB   PHE 117          HB2       PHE 117  12.335   9.338  -2.402
  909   2HB   PHE 117          HB3       PHE 117  12.163   8.426  -3.894
  910    HD1  PHE 117           HD1      PHE 117  10.146   7.291  -4.374
  911    HD2  PHE 117           HD2      PHE 117  10.922   8.614  -0.349
  912    HE1  PHE 117           HE1      PHE 117   7.808   6.783  -3.757
  913    HE2  PHE 117           HE2      PHE 117   8.612   8.042   0.271
  914    HZ   PHE 117           HZ       PHE 117   7.030   7.122  -1.415
  915    H    ASP 118           H        ASP 118  14.402   6.546  -4.383
  916    HA   ASP 118           HA       ASP 118  16.944   8.057  -4.133
  917   1HB   ASP 118          HB2       ASP 118  17.160   5.949  -5.163
  918   2HB   ASP 118          HB3       ASP 118  15.732   6.186  -6.163
  919    H    LYS 119           H        LYS 119  17.545   9.764  -5.593
  920    HA   LYS 119           HA       LYS 119  15.763  11.849  -5.808
  921   1HB   LYS 119          HB2       LYS 119  17.394  12.983  -7.170
  922   2HB   LYS 119          HB3       LYS 119  18.191  12.117  -5.867
  923   1HG   LYS 119          HG2       LYS 119  19.415  10.885  -7.243
  924   2HG   LYS 119          HG3       LYS 119  18.049  10.419  -8.243
  925   1HD   LYS 119          HD2       LYS 119  19.400  13.139  -8.501
  926   2HD   LYS 119          HD3       LYS 119  19.958  11.704  -9.371
  927   1HE   LYS 119          HE2       LYS 119  17.770  11.423 -10.440
  928   2HE   LYS 119          HE3       LYS 119  17.121  12.816  -9.571
  929   1HZ   LYS 119          HZ1       LYS 119  19.402  12.997 -11.460
  930   2HZ   LYS 119          HZ2       LYS 119  17.858  13.281 -11.883
  931   3HZ   LYS 119          HZ3       LYS 119  18.572  14.254 -10.795
  932    H    THR 120           H        THR 120  15.582   9.173  -7.897
  933    HA   THR 120           HA       THR 120  14.553  10.616 -10.250
  934    HB   THR 120           HB       THR 120  13.802   8.252 -10.815
  935    HG1  THR 120           HG1      THR 120  15.557   7.512  -8.706
  936   1HG2  THR 120          HG21      THR 120  16.768   8.685 -10.288
  937   2HG2  THR 120          HG22      THR 120  16.089   7.397 -11.309
  938   3HG2  THR 120          HG23      THR 120  15.882   9.103 -11.773
  939    H    GLY 121           H        GLY 121  13.345   9.114  -7.321
  940   1HA   GLY 121          HA2       GLY 121  11.064   9.622  -6.541
  941   2HA   GLY 121          HA3       GLY 121  10.496   9.404  -8.208
  942    H    GLN 122           H        GLN 122  12.941   7.167  -7.744
  943    HA   GLN 122           HA       GLN 122  11.240   4.844  -7.645
  944   1HB   GLN 122          HB2       GLN 122  14.198   5.478  -7.484
  945   2HB   GLN 122          HB3       GLN 122  13.654   3.895  -6.919
  946   1HG   GLN 122          HG2       GLN 122  12.771   3.326  -9.049
  947   2HG   GLN 122          HG3       GLN 122  13.078   4.970  -9.681
  948   1HE2  GLN 122          HE22      GLN 122  15.342   5.671  -9.864
  949   2HE2  GLN 122          HE21      GLN 122  16.616   4.483 -10.074
  950    H    LEU 123           H        LEU 123  10.094   4.372  -5.831
  951    HA   LEU 123           HA       LEU 123  10.933   4.972  -3.123
  952   1HB   LEU 123          HB2       LEU 123   8.620   4.619  -3.670
  953   2HB   LEU 123          HB3       LEU 123   8.943   3.023  -4.337
  954    HG   LEU 123           HG       LEU 123   9.276   2.044  -2.212
  955   1HD1  LEU 123          HD11      LEU 123   9.289   3.372  -0.088
  956   2HD1  LEU 123          HD12      LEU 123  10.669   3.718  -1.105
  957   3HD1  LEU 123          HD13      LEU 123   9.334   4.872  -1.060
  958   1HD2  LEU 123          HD21      LEU 123   6.869   2.689  -2.857
  959   2HD2  LEU 123          HD22      LEU 123   7.155   2.373  -1.155
  960   3HD2  LEU 123          HD23      LEU 123   7.023   4.049  -1.732
  961    H    ARG 124           H        ARG 124  13.080   4.198  -2.737
  962    HA   ARG 124           HA       ARG 124  13.802   1.570  -3.792
  963   1HB   ARG 124          HB2       ARG 124  15.349   3.562  -2.102
  964   2HB   ARG 124          HB3       ARG 124  16.011   2.044  -2.712
  965   1HG   ARG 124          HG2       ARG 124  15.045   4.371  -4.397
  966   2HG   ARG 124          HG3       ARG 124  16.715   3.947  -4.058
  967   1HD   ARG 124          HD2       ARG 124  14.762   2.239  -5.659
  968   2HD   ARG 124          HD3       ARG 124  16.021   3.292  -6.314
  969    HE   ARG 124           HE       ARG 124  16.861   1.187  -4.423
  970   1HH1  ARG 124          HH21      ARG 124  16.621   2.111  -7.878
  971   2HH1  ARG 124          HH22      ARG 124  17.925   1.084  -8.345
  972   1HH2  ARG 124          HH11      ARG 124  18.503  -0.236  -5.115
  973   2HH2  ARG 124          HH12      ARG 124  18.951  -0.323  -6.773
  974    H    HIS 125           H        HIS 125  12.810   2.799  -0.534
  975    HA   HIS 125           HA       HIS 125  12.624   0.005   0.343
  976   1HB   HIS 125          HB2       HIS 125  15.012   0.797   0.776
  977   2HB   HIS 125          HB3       HIS 125  14.344   2.025   1.846
  978    HD1  HIS 125           HD1      HIS 125  14.752  -1.811   1.595
  979    HD2  HIS 125           HD2      HIS 125  13.588   1.228   4.259
  980    HE1  HIS 125           HE1      HIS 125  14.610  -2.905   3.884
  981    H    PHE 126           H        PHE 126  11.452  -0.147   2.449
  982    HA   PHE 126           HA       PHE 126  10.088   2.262   3.422
  983   1HB   PHE 126          HB2       PHE 126   8.291   1.822   2.142
  984   2HB   PHE 126          HB3       PHE 126   8.795   0.188   1.747
  985    HD1  PHE 126           HD1      PHE 126   6.873   2.273   4.121
  986    HD2  PHE 126           HD2      PHE 126   8.077  -1.740   3.100
  987    HE1  PHE 126           HE1      PHE 126   5.124   1.360   5.621
  988    HE2  PHE 126           HE2      PHE 126   6.385  -2.643   4.677
  989    HZ   PHE 126           HZ       PHE 126   4.912  -1.081   5.958
  990    H    GLN 127           H        GLN 127   9.225   1.948   5.525
  991    HA   GLN 127           HA       GLN 127   9.383  -0.634   6.869
  992   1HB   GLN 127          HB2       GLN 127  10.950   1.822   7.813
  993   2HB   GLN 127          HB3       GLN 127  10.487   0.515   8.894
  994   1HG   GLN 127          HG2       GLN 127  12.341   0.277   6.499
  995   2HG   GLN 127          HG3       GLN 127  12.795   0.296   8.195
  996   1HE2  GLN 127          HE22      GLN 127  12.835  -1.808   5.837
  997   2HE2  GLN 127          HE21      GLN 127  12.324  -3.277   6.654
  998    H    ALA 128           H        ALA 128   8.115  -0.465   8.962
  999    HA   ALA 128           HA       ALA 128   6.702   2.050   9.390
 1000   1HB   ALA 128          HB1       ALA 128   4.470   0.948   9.489
 1001   2HB   ALA 128          HB2       ALA 128   5.151   0.890   7.859
 1002   3HB   ALA 128          HB3       ALA 128   5.191  -0.561   8.886
 1003    H    GLY 129           H        GLY 129   5.704   2.143  11.459
 1004   1HA   GLY 129          HA2       GLY 129   5.563   1.796  13.713
 1005   2HA   GLY 129          HA3       GLY 129   5.656   0.063  13.370
 1006    H    GLY 130           H        GLY 130   8.357   2.132  12.434
 1007   1HA   GLY 130          HA2       GLY 130  10.151   0.721  14.300
 1008   2HA   GLY 130          HA3       GLY 130  10.619   1.843  13.010
 1009    H    SER 131           H        SER 131  10.025   1.511  16.379
 1010    HA   SER 131           HA       SER 131   9.168   3.974  17.234
 1011   1HB   SER 131          HB2       SER 131  11.356   2.317  18.551
 1012   2HB   SER 131          HB3       SER 131  10.188   3.392  19.345
 1013    HG   SER 131           HG       SER 131   9.614   1.157  19.468
 1014    H    GLY 132           H        GLY 132   9.957   6.011  17.190
 1015   1HA   GLY 132          HA2       GLY 132  11.395   7.782  17.048
 1016   2HA   GLY 132          HA3       GLY 132  12.670   6.702  17.606
 1017    H    MET 133           H        MET 133  11.182   5.632  14.644
 1018    HA   MET 133           HA       MET 133  12.195   5.062  12.741
 1019   1HB   MET 133          HB2       MET 133  12.614   6.895  11.184
 1020   2HB   MET 133          HB3       MET 133  11.103   7.068  12.060
 1021   1HG   MET 133          HG2       MET 133  12.030   8.766  13.501
 1022   2HG   MET 133          HG3       MET 133  13.629   8.559  12.781
 1023   1HE   MET 133          HE1       MET 133  13.220   8.533   9.630
 1024   2HE   MET 133          HE2       MET 133  13.444  10.275   9.385
 1025   3HE   MET 133          HE3       MET 133  14.419   9.421  10.602
 1026    H    LYS 134           H        LYS 134  14.023   4.744  14.934
 1027    HA   LYS 134           HA       LYS 134  16.496   5.981  14.383
 1028   1HB   LYS 134          HB2       LYS 134  15.747   5.032  16.587
 1029   2HB   LYS 134          HB3       LYS 134  15.932   3.415  15.923
 1030   1HG   LYS 134          HG2       LYS 134  17.797   3.757  17.263
 1031   2HG   LYS 134          HG3       LYS 134  18.420   3.898  15.634
 1032   1HD   LYS 134          HD2       LYS 134  17.734   6.264  17.452
 1033   2HD   LYS 134          HD3       LYS 134  19.324   5.509  17.339
 1034   1HE   LYS 134          HE2       LYS 134  19.308   6.054  14.844
 1035   2HE   LYS 134          HE3       LYS 134  17.876   7.045  15.150
 1036   1HZ   LYS 134          HZ1       LYS 134  19.912   8.333  15.192
 1037   2HZ   LYS 134          HZ2       LYS 134  19.186   8.390  16.667
 1038   3HZ   LYS 134          HZ3       LYS 134  20.511   7.456  16.429
 1039    H    MET 135           H        MET 135  15.193   2.895  13.186
 1040    HA   MET 135           HA       MET 135  17.699   2.052  11.990
 1041   1HB   MET 135          HB2       MET 135  15.784   0.531  12.608
 1042   2HB   MET 135          HB3       MET 135  14.853   1.213  11.276
 1043   1HG   MET 135          HG2       MET 135  17.459   0.388  10.283
 1044   2HG   MET 135          HG3       MET 135  16.802  -0.899  11.274
 1045   1HE   MET 135          HE1       MET 135  16.487   1.240   8.086
 1046   2HE   MET 135          HE2       MET 135  14.977   0.696   7.327
 1047   3HE   MET 135          HE3       MET 135  14.918   1.684   8.807
 1048    H    LEU 136           H        LEU 136  14.882   3.988  10.937
 1049    HA   LEU 136           HA       LEU 136  15.380   4.009   8.181
 1050   1HB   LEU 136          HB2       LEU 136  13.376   4.915   9.636
 1051   2HB   LEU 136          HB3       LEU 136  14.297   6.409   9.683
 1052    HG   LEU 136           HG       LEU 136  12.602   6.515   7.987
 1053   1HD1  LEU 136          HD11      LEU 136  14.815   7.593   7.519
 1054   2HD1  LEU 136          HD12      LEU 136  15.128   6.220   6.418
 1055   3HD1  LEU 136          HD13      LEU 136  13.759   7.292   6.135
 1056   1HD2  LEU 136          HD21      LEU 136  12.433   5.020   6.096
 1057   2HD2  LEU 136          HD22      LEU 136  13.904   4.151   6.555
 1058   3HD2  LEU 136          HD23      LEU 136  12.451   4.024   7.562
 1059    H    GLU 137           H        GLU 137  16.655   6.168  10.733
 1060    HA   GLU 137           HA       GLU 137  18.232   7.949   9.301
 1061   1HB   GLU 137          HB2       GLU 137  17.978   7.796  11.792
 1062   2HB   GLU 137          HB3       GLU 137  19.006   6.361  11.774
 1063   1HG   GLU 137          HG2       GLU 137  20.872   7.806  10.815
 1064   2HG   GLU 137          HG3       GLU 137  19.828   9.206  11.109
 1065    H    LYS 138           H        LYS 138  18.878   4.460   9.796
 1066    HA   LYS 138           HA       LYS 138  21.626   4.642   8.847
 1067   1HB   LYS 138          HB2       LYS 138  19.995   2.095   9.097
 1068   2HB   LYS 138          HB3       LYS 138  21.740   2.290   9.151
 1069   1HG   LYS 138          HG2       LYS 138  19.712   3.086  11.271
 1070   2HG   LYS 138          HG3       LYS 138  20.909   1.799  11.362
 1071   1HD   LYS 138          HD2       LYS 138  22.735   3.500  11.353
 1072   2HD   LYS 138          HD3       LYS 138  21.518   4.795  11.281
 1073   1HE   LYS 138          HE2       LYS 138  20.509   3.896  13.404
 1074   2HE   LYS 138          HE3       LYS 138  21.859   2.754  13.513
 1075   1HZ   LYS 138          HZ1       LYS 138  22.334   4.689  14.824
 1076   2HZ   LYS 138          HZ2       LYS 138  23.349   4.724  13.549
 1077   3HZ   LYS 138          HZ3       LYS 138  22.032   5.717  13.584
 1078    H    ARG 139           H        ARG 139  18.467   3.484   7.601
 1079    HA   ARG 139           HA       ARG 139  19.460   2.673   5.085
 1080   1HB   ARG 139          HB2       ARG 139  17.185   2.130   6.123
 1081   2HB   ARG 139          HB3       ARG 139  16.675   3.764   5.724
 1082   1HG   ARG 139          HG2       ARG 139  15.843   2.393   3.983
 1083   2HG   ARG 139          HG3       ARG 139  17.205   3.252   3.283
 1084   1HD   ARG 139          HD2       ARG 139  17.309   0.963   2.545
 1085   2HD   ARG 139          HD3       ARG 139  18.638   1.194   3.669
 1086    HE   ARG 139           HE       ARG 139  16.031  -0.186   4.205
 1087   1HH1  ARG 139          HH21      ARG 139  19.482   0.064   5.047
 1088   2HH1  ARG 139          HH22      ARG 139  19.365  -1.063   6.344
 1089   1HH2  ARG 139          HH11      ARG 139  15.872  -1.600   5.899
 1090   2HH2  ARG 139          HH12      ARG 139  17.263  -2.089   6.807
 1091    H    VAL 140           H        VAL 140  18.075   5.851   6.094
 1092    HA   VAL 140           HA       VAL 140  18.318   7.060   3.558
 1093    HB   VAL 140           HB       VAL 140  18.044   7.944   6.410
 1094   1HG1  VAL 140          HG11      VAL 140  19.555   9.661   5.834
 1095   2HG1  VAL 140          HG12      VAL 140  18.908   9.826   4.198
 1096   3HG1  VAL 140          HG13      VAL 140  17.963  10.374   5.597
 1097   1HG2  VAL 140          HG21      VAL 140  15.914   8.677   5.612
 1098   2HG2  VAL 140          HG22      VAL 140  16.466   8.718   3.921
 1099   3HG2  VAL 140          HG23      VAL 140  16.203   7.182   4.751
 1100    H    ASN 141           H        ASN 141  20.835   6.811   6.212
 1101    HA   ASN 141           HA       ASN 141  22.527   8.488   4.581
 1102   1HB   ASN 141          HB2       ASN 141  24.176   8.417   6.121
 1103   2HB   ASN 141          HB3       ASN 141  22.700   8.333   7.070
 1104   1HD2  ASN 141          HD22      ASN 141  22.467   6.717   8.475
 1105   2HD2  ASN 141          HD21      ASN 141  23.663   5.445   8.730
 1106    H    ARG 142           H        ARG 142  21.919   5.003   4.687
 1107    HA   ARG 142           HA       ARG 142  24.153   4.327   3.006
 1108   1HB   ARG 142          HB2       ARG 142  22.374   2.834   4.373
 1109   2HB   ARG 142          HB3       ARG 142  21.531   2.825   2.828
 1110   1HG   ARG 142          HG2       ARG 142  24.353   1.879   3.441
 1111   2HG   ARG 142          HG3       ARG 142  22.947   0.877   3.074
 1112   1HD   ARG 142          HD2       ARG 142  22.924   1.978   0.744
 1113   2HD   ARG 142          HD3       ARG 142  24.480   2.691   1.162
 1114    HE   ARG 142           HE       ARG 142  25.535   0.647   1.069
 1115   1HH1  ARG 142          HH21      ARG 142  22.054   0.175   0.513
 1116   2HH1  ARG 142          HH22      ARG 142  22.233  -1.417  -0.124
 1117   1HH2  ARG 142          HH11      ARG 142  25.765  -1.472   0.228
 1118   2HH2  ARG 142          HH12      ARG 142  24.389  -2.371  -0.285
 1119    H    VAL 143           H        VAL 143  20.718   5.269   2.279
 1120    HA   VAL 143           HA       VAL 143  21.046   5.109  -0.544
 1121    HB   VAL 143           HB       VAL 143  19.097   6.646   1.195
 1122   1HG1  VAL 143          HG11      VAL 143  19.032   6.322  -1.841
 1123   2HG1  VAL 143          HG12      VAL 143  17.696   6.934  -0.842
 1124   3HG1  VAL 143          HG13      VAL 143  19.200   7.849  -0.951
 1125   1HG2  VAL 143          HG21      VAL 143  18.838   4.134  -0.534
 1126   2HG2  VAL 143          HG22      VAL 143  18.938   4.152   1.233
 1127   3HG2  VAL 143          HG23      VAL 143  17.539   4.864   0.428
 1128    H    LEU 144           H        LEU 144  21.659   7.860   1.724
 1129    HA   LEU 144           HA       LEU 144  22.524   9.701  -0.265
 1130   1HB   LEU 144          HB2       LEU 144  23.549   9.275   2.575
 1131   2HB   LEU 144          HB3       LEU 144  24.074  10.596   1.546
 1132    HG   LEU 144           HG       LEU 144  21.196  10.133   2.398
 1133   1HD1  LEU 144          HD11      LEU 144  23.240  12.163   3.390
 1134   2HD1  LEU 144          HD12      LEU 144  21.535  12.041   3.892
 1135   3HD1  LEU 144          HD13      LEU 144  22.672  10.744   4.290
 1136   1HD2  LEU 144          HD21      LEU 144  21.260  11.355   0.297
 1137   2HD2  LEU 144          HD22      LEU 144  20.899  12.495   1.591
 1138   3HD2  LEU 144          HD23      LEU 144  22.537  12.423   0.901
 1139    H    ALA 145           H        ALA 145  24.426   7.197   1.471
 1140    HA   ALA 145           HA       ALA 145  26.829   7.632   0.018
 1141   1HB   ALA 145          HB1       ALA 145  26.681   6.430   2.189
 1142   2HB   ALA 145          HB2       ALA 145  25.883   5.069   1.364
 1143   3HB   ALA 145          HB3       ALA 145  27.550   5.503   0.954
 1144    H    GLU 146           H        GLU 146  23.919   6.533  -1.333
 1145    HA   GLU 146           HA       GLU 146  25.328   5.046  -3.499
 1146   1HB   GLU 146          HB2       GLU 146  22.497   4.837  -2.398
 1147   2HB   GLU 146          HB3       GLU 146  22.995   4.095  -3.908
 1148   1HG   GLU 146          HG2       GLU 146  24.348   3.461  -1.255
 1149   2HG   GLU 146          HG3       GLU 146  22.936   2.602  -1.848
 1150    H    THR 147           H        THR 147  24.113   8.039  -2.640
 1151    HA   THR 147           HA       THR 147  23.282   8.769  -5.373
 1152    HB   THR 147           HB       THR 147  21.645   9.626  -2.969
 1153    HG1  THR 147           HG1      THR 147  21.448   7.469  -2.864
 1154   1HG2  THR 147          HG21      THR 147  21.059   9.191  -5.922
 1155   2HG2  THR 147          HG22      THR 147  19.928   9.883  -4.722
 1156   3HG2  THR 147          HG23      THR 147  21.418  10.755  -5.173
 1157    H    GLU 148           H        GLU 148  25.711   9.269  -4.380
 1158    HA   GLU 148           HA       GLU 148  25.860  12.174  -4.196
 1159   1HB   GLU 148          HB2       GLU 148  25.788  11.502  -1.821
 1160   2HB   GLU 148          HB3       GLU 148  27.083  10.321  -2.089
 1161   1HG   GLU 148          HG2       GLU 148  28.635  12.130  -2.687
 1162   2HG   GLU 148          HG3       GLU 148  27.342  13.322  -2.525